A0A5K4FAY7_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 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	36.7	Very low	32.8	Very low	191 Å²	191	115.1 Å²	115.1	94%	0.941	53%	0.529	S	S	*	.				0	-22.7	0	-92.4	179.4	147.1	0	0	116.3	E284	M1-E284 WeakPolarHBondContact CE-OE1 3.5Å
2	T	37.8	Very low	33	Very low	107 Å²	107	110.9 Å²	110.9	66%	0.656	52%	0.523	S	S	*	.	H	α-helix	trans	-99	-9.4	-179.9	43.8	0	0	0	0	116.4
3	K	30.8	Very low	33.2	Very low	146 Å²	146	109.5 Å²	109.5	64%	0.635	52%	0.519	S	S	*	.	H	α-helix	trans	-89	-35.1	-176.4	-74.3	-178.9	177	176.1	0	114.3	S7	K3-S7 PolarHBondContact O-N 3.38Å
4	I	30.7	Very low	34	Very low	123 Å²	123	104.6 Å²	104.6	63%	0.631	50%	0.498	S	S	*	.	H	α-helix	trans	-73.1	-43.3	179.5	-61.9	173.3	0	0	0	110	S7 F8	I4-S7 WeakPolarHBondContact O-CA 3.48Å; I4-S7 VanDerWaalsContact O-CB 3.29Å; I4-S7 WeakPolarHBondContact O-CB 3.43Å; I4-S7 PolarHBondContact O-N 3.22Å; I4-S7 VanDerWaalsContact O-N 3.12Å; I4-F8 PolarHBondContact O-N 3.39Å
5	R	28.7	Very low	34.9	Very low	138 Å²	138	102.5 Å²	102.5	52%	0.521	49%	0.49	S	S	.	.	H	α-helix	trans	-56.4	-48.9	174.9	-169.7	173.1	176.5	-176.6	-1	113.6	S7 F8 E9 D286	R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 3.32Å; R5-F8 WeakPolarHBondContact O-CB 3.38Å; R5-F8 PolarHBondContact O-N 3.22Å; R5-F8 VanDerWaalsContact O-N 3.12Å; R5-E9 PolarHBondContact O-N 3.18Å; R5-E9 VanDerWaalsContact O-N 3.11Å; R5-D286 IonicContact CZ-OD1 3.24Å; R5-D286 IonicContact CZ-OD2 2.91Å; R5-D286 IonicContact NE-OD2 2.95Å; R5-D286 PolarHBondContact NE-OD2 3.33Å; R5-D286 IonicContact NH2-OD1 2.77Å; R5-D286 PolarHBondContact NH2-OD1 3.05Å; R5-D286 IonicContact NH2-OD2 3.88Å; R5-D286 PolarHBondContact NH2-OD2 2.93Å
6	R	28.7	Very low	35.3	Very low	163 Å²	163	103.7 Å²	103.7	62%	0.615	49%	0.493	S	S	*	.	H	α-helix	trans	-58.7	-45.7	173.3	-77.7	-178.8	-179.3	176.8	1.9	111.1	F8 E9 Y10	R6-F8 PolarHBondContact O-N 2.82Å; R6-E9 PolarHBondContact O-N 2.74Å; R6-Y10 HydrophobicContact CB-CD2 4.05Å; R6-Y10 HydrophobicContact CB-CE2 4.01Å; R6-Y10 HydrophobicContact CG-CE2 4.41Å; R6-Y10 VanDerWaalsContact O-CB 3.28Å; R6-Y10 WeakPolarHBondContact O-CB 3.45Å; R6-Y10 WeakPolarHBondContact O-CD2 3.17Å; R6-Y10 PolarHBondContact O-N 3.31Å
7	S	33	Very low	35.9	Very low	36 Å²	36	102.3 Å²	102.3	25%	0.252	49%	0.488	S	S	.	.	H	α-helix	trans	-57.3	-35.9	177.6	-164.4	0	0	0	0	112.4	K3 I4 R5 Q11	K3-S7 PolarHBondContact O-N 3.38Å; I4-S7 WeakPolarHBondContact O-CA 3.48Å; I4-S7 VanDerWaalsContact O-CB 3.29Å; I4-S7 WeakPolarHBondContact O-CB 3.43Å; I4-S7 PolarHBondContact O-N 3.22Å; I4-S7 VanDerWaalsContact O-N 3.12Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 3.32Å; S7-Q11 VanDerWaalsContact O-CB 3.23Å; S7-Q11 WeakPolarHBondContact O-CB 3.43Å; S7-Q11 WeakPolarHBondContact O-CG 3.5Å; S7-Q11 PolarHBondContact O-N 3.41Å; S7-Q11 PolarHBondContact OG-NE2 3.24Å
8	F	31.6	Very low	36.6	Very low	83 Å²	83	98.7 Å²	98.7	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-74.5	-46.3	-178.4	-143.4	-91.5	0	0	0	113.7	I4 R5 R6 Y10 Q11 S12 I235	I4-F8 PolarHBondContact O-N 3.39Å; R5-F8 WeakPolarHBondContact O-CB 3.38Å; R5-F8 PolarHBondContact O-N 3.22Å; R5-F8 VanDerWaalsContact O-N 3.12Å; R6-F8 PolarHBondContact O-N 2.82Å; F8-Y10 VanDerWaalsContact C-N 3.34Å; F8-Q11 PolarHBondContact O-N 2.81Å; F8-S12 PolarHBondContact O-N 2.84Å; F8-S12 PolarHBondContact O-OG 2.83Å; F8-I235 HydrophobicContact CE2-CD1 3.94Å; F8-I235 HydrophobicContact CZ-CD1 4.46Å
9	E	29.8	Very low	37.2	Very low	94 Å²	94	99.5 Å²	99.5	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-43.2	171.9	-71.7	174.2	165.7	0	0	110.7	R5 R6 Q11 S12 I13	R5-E9 PolarHBondContact O-N 3.18Å; R5-E9 VanDerWaalsContact O-N 3.11Å; R6-E9 PolarHBondContact O-N 2.74Å; E9-Q11 VanDerWaalsContact C-N 3.35Å; E9-Q11 PolarHBondContact O-N 3.37Å; E9-S12 PolarHBondContact O-OG 2.93Å; E9-I13 VanDerWaalsContact O-CB 3.27Å; E9-I13 WeakPolarHBondContact O-CB 2.91Å; E9-I13 WeakPolarHBondContact O-CD1 3.48Å; E9-I13 WeakPolarHBondContact O-CG1 3.39Å; E9-I13 PolarHBondContact O-N 2.78Å
10	Y	35	Very low	37.7	Very low	133 Å²	133	97.5 Å²	97.5	52%	0.522	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-40.2	175.9	-78.3	-62.6	0	0	0	111.3	R6 F8 N14	R6-Y10 HydrophobicContact CB-CD2 4.05Å; R6-Y10 HydrophobicContact CB-CE2 4.01Å; R6-Y10 HydrophobicContact CG-CE2 4.41Å; R6-Y10 VanDerWaalsContact O-CB 3.28Å; R6-Y10 WeakPolarHBondContact O-CB 3.45Å; R6-Y10 WeakPolarHBondContact O-CD2 3.17Å; R6-Y10 PolarHBondContact O-N 3.31Å; F8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-N14 WeakPolarHBondContact O-CB 3.39Å; Y10-N14 PolarHBondContact O-N 2.89Å; Y10-N14 PolarHBondContact O-ND2 3.36Å
11	Q	38	Very low	38.2	Very low	52 Å²	52	97.2 Å²	97.2	24%	0.243	46%	0.463	C	S	.	.	H	α-helix	trans	-69.9	-39.5	-178.4	-79.1	170.9	26.4	0	0	113.4	S7 F8 E9 N14 L15	S7-Q11 VanDerWaalsContact O-CB 3.23Å; S7-Q11 WeakPolarHBondContact O-CB 3.43Å; S7-Q11 WeakPolarHBondContact O-CG 3.5Å; S7-Q11 PolarHBondContact O-N 3.41Å; S7-Q11 PolarHBondContact OG-NE2 3.24Å; F8-Q11 PolarHBondContact O-N 2.81Å; E9-Q11 VanDerWaalsContact C-N 3.35Å; E9-Q11 PolarHBondContact O-N 3.37Å; Q11-N14 PolarHBondContact O-N 3.11Å; Q11-L15 PolarHBondContact O-N 2.77Å
12	S	35.1	Very low	38.8	Very low	65 Å²	65	90.9 Å²	90.9	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-72.7	-43.1	177.6	46.2	0	0	0	0	112.4	F8 E9 N14 L15 F16	F8-S12 PolarHBondContact O-N 2.84Å; F8-S12 PolarHBondContact O-OG 2.83Å; E9-S12 PolarHBondContact O-OG 2.93Å; S12-N14 VanDerWaalsContact C-N 3.28Å; S12-N14 PolarHBondContact O-N 2.97Å; S12-L15 PolarHBondContact O-N 3.2Å; S12-F16 WeakPolarHBondContact O-CB 3.39Å; S12-F16 PolarHBondContact O-N 2.89Å
13	I	36.2	Very low	39.2	Very low	93 Å²	93	88 Å²	88	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-38.2	171.9	-67.2	168.1	0	0	0	110.7	E9 F16 L17	E9-I13 VanDerWaalsContact O-CB 3.27Å; E9-I13 WeakPolarHBondContact O-CB 2.91Å; E9-I13 WeakPolarHBondContact O-CD1 3.48Å; E9-I13 WeakPolarHBondContact O-CG1 3.39Å; E9-I13 PolarHBondContact O-N 2.78Å; I13-F16 PolarHBondContact O-N 2.73Å; I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CB 3.15Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 2.95Å; I13-L17 PolarHBondContact O-N 2.88Å
14	N	43.8	Very low	39.7	Very low	41 Å²	41	86.6 Å²	86.6	22%	0.219	41%	0.408	C	S	.	.	H	α-helix	trans	-69.9	-40.3	176.5	-73.6	-35.7	0	0	0	112.2	Y10 Q11 S12 F16 L17 I18 W79	Y10-N14 WeakPolarHBondContact O-CB 3.39Å; Y10-N14 PolarHBondContact O-N 2.89Å; Y10-N14 PolarHBondContact O-ND2 3.36Å; Q11-N14 PolarHBondContact O-N 3.11Å; S12-N14 VanDerWaalsContact C-N 3.28Å; S12-N14 PolarHBondContact O-N 2.97Å; N14-F16 VanDerWaalsContact C-N 3.27Å; N14-F16 PolarHBondContact O-N 2.89Å; N14-L17 PolarHBondContact O-N 2.73Å; N14-I18 WeakPolarHBondContact O-CB 2.96Å; N14-I18 WeakPolarHBondContact O-CD1 3.13Å; N14-I18 WeakPolarHBondContact O-CG1 3.41Å; N14-I18 PolarHBondContact O-N 3.19Å; N14-W79 WeakPolarHBondContact ND2-CH2 3.48Å
15	L	47.1	Very low	40.3	Very low	72 Å²	72	83 Å²	83	38%	0.377	39%	0.387	S	S	.	.	H	α-helix	trans	-56.7	-43	171.4	-127.1	84.6	0	0	0	111.8	Q11 S12 I18 Y19 I224	Q11-L15 PolarHBondContact O-N 2.77Å; S12-L15 PolarHBondContact O-N 3.2Å; L15-I18 PolarHBondContact O-N 3.39Å; L15-Y19 WeakPolarHBondContact O-CB 2.93Å; L15-Y19 PolarHBondContact O-N 3.44Å; L15-I224 HydrophobicContact CD2-CG2 3.52Å
16	F	42	Very low	40.7	Very low	122 Å²	122	77.6 Å²	77.6	54%	0.535	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-38.2	176.6	-177	-102.7	0	0	0	113.2	S12 I13 N14 Y19 L20	S12-F16 WeakPolarHBondContact O-CB 3.39Å; S12-F16 PolarHBondContact O-N 2.89Å; I13-F16 PolarHBondContact O-N 2.73Å; N14-F16 VanDerWaalsContact C-N 3.27Å; N14-F16 PolarHBondContact O-N 2.89Å; F16-Y19 HydrophobicContact CD2-CD1 4.32Å; F16-Y19 HydrophobicContact CE2-CD1 4.41Å; F16-Y19 WeakPolarHBondContact O-CB 3.33Å; F16-Y19 PolarHBondContact O-N 3.29Å; F16-L20 HydrophobicContact CD1-CD1 3.96Å; F16-L20 HydrophobicContact CE1-CD1 3.41Å; F16-L20 VanDerWaalsContact CE1-CD1 3.41Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 PolarHBondContact O-N 2.81Å
17	L	44.4	Very low	41	Very low	80 Å²	80	76.3 Å²	76.3	42%	0.419	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-37.6	174	-76.4	167.7	0	0	0	111.9	I13 N14 Y19 L20 I21	I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.39Å; I13-L17 WeakPolarHBondContact O-CB 3.15Å; I13-L17 VanDerWaalsContact O-CG 3.3Å; I13-L17 WeakPolarHBondContact O-CG 2.95Å; I13-L17 PolarHBondContact O-N 2.88Å; N14-L17 PolarHBondContact O-N 2.73Å; L17-Y19 VanDerWaalsContact C-N 3.34Å; L17-L20 PolarHBondContact O-N 2.81Å; L17-I21 WeakPolarHBondContact O-CB 3.09Å; L17-I21 WeakPolarHBondContact O-CD1 3.35Å; L17-I21 WeakPolarHBondContact O-CG1 3.27Å; L17-I21 PolarHBondContact O-N 3.31Å
18	I	49	Very low	41.1	Very low	38 Å²	38	76.8 Å²	76.8	20%	0.195	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-43.4	173.2	-64.8	152.8	0	0	0	110.2	N14 L15 I21 L22 Y57	N14-I18 WeakPolarHBondContact O-CB 2.96Å; N14-I18 WeakPolarHBondContact O-CD1 3.13Å; N14-I18 WeakPolarHBondContact O-CG1 3.41Å; N14-I18 PolarHBondContact O-N 3.19Å; L15-I18 PolarHBondContact O-N 3.39Å; I18-I21 PolarHBondContact O-N 2.98Å; I18-L22 HydrophobicContact CG2-CD1 3.81Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 2.86Å; I18-Y57 HydrophobicContact CD1-CE1 3.98Å; I18-Y57 WeakPolarHBondContact CD1-OH 3.13Å; I18-Y57 HydrophobicContact CG1-CE1 4.11Å; I18-Y57 WeakPolarHBondContact CG1-OH 3.29Å; I18-Y57 HydrophobicContact CG2-CE1 4.22Å
19	Y	48.3	Very low	41.3	Very low	114 Å²	114	75.8 Å²	75.8	45%	0.447	38%	0.375	S	S	.	.	H	α-helix	trans	-57.4	-48.4	173.3	171.6	-96.3	0	0	0	111.7	L15 F16 L17 I21 L22 I23	L15-Y19 WeakPolarHBondContact O-CB 2.93Å; L15-Y19 PolarHBondContact O-N 3.44Å; F16-Y19 HydrophobicContact CD2-CD1 4.32Å; F16-Y19 HydrophobicContact CE2-CD1 4.41Å; F16-Y19 WeakPolarHBondContact O-CB 3.33Å; F16-Y19 PolarHBondContact O-N 3.29Å; L17-Y19 VanDerWaalsContact C-N 3.34Å; Y19-I21 PolarHBondContact O-N 3.35Å; Y19-L22 PolarHBondContact O-N 2.75Å; Y19-I23 HydrophobicContact CD1-CD1 3.76Å; Y19-I23 HydrophobicContact CD2-CD1 3.93Å; Y19-I23 HydrophobicContact CE1-CD1 3.32Å; Y19-I23 HydrophobicContact CE2-CD1 3.52Å; Y19-I23 HydrophobicContact CG-CD1 4.04Å; Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 VanDerWaalsContact O-CG1 3.29Å; Y19-I23 WeakPolarHBondContact O-CG1 3.36Å; Y19-I23 PolarHBondContact O-N 3Å
20	L	46.5	Very low	41.5	Very low	59 Å²	59	74.1 Å²	74.1	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-41.4	175	-107.6	151.9	0	0	0	112.9	F16 L17 H24	F16-L20 HydrophobicContact CD1-CD1 3.96Å; F16-L20 HydrophobicContact CE1-CD1 3.41Å; F16-L20 VanDerWaalsContact CE1-CD1 3.41Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 PolarHBondContact O-N 2.81Å; L17-L20 PolarHBondContact O-N 2.81Å; L20-H24 VanDerWaalsContact O-CB 3.27Å; L20-H24 WeakPolarHBondContact O-CB 3.09Å; L20-H24 PolarHBondContact O-N 2.95Å
21	I	49.6	Very low	41.5	Very low	91 Å²	91	71 Å²	71	47%	0.467	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-42.6	178.4	-69.7	164.2	0	0	0	110.8	L17 I18 Y19 Y25	L17-I21 WeakPolarHBondContact O-CB 3.09Å; L17-I21 WeakPolarHBondContact O-CD1 3.35Å; L17-I21 WeakPolarHBondContact O-CG1 3.27Å; L17-I21 PolarHBondContact O-N 3.31Å; I18-I21 PolarHBondContact O-N 2.98Å; Y19-I21 PolarHBondContact O-N 3.35Å; I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 PolarHBondContact O-N 2.81Å
22	L	49.4	Very low	41	Very low	58 Å²	58	71.7 Å²	71.7	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-40.3	177.3	-76.4	168.5	0	0	0	112	I18 Y19 T26	I18-L22 HydrophobicContact CG2-CD1 3.81Å; I18-L22 HydrophobicContact CG2-CG 4.41Å; I18-L22 WeakPolarHBondContact O-CB 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.37Å; I18-L22 PolarHBondContact O-N 2.86Å; Y19-L22 PolarHBondContact O-N 2.75Å; L22-T26 WeakPolarHBondContact O-CB 3.33Å; L22-T26 WeakPolarHBondContact O-CG2 3.35Å; L22-T26 PolarHBondContact O-N 3.11Å; L22-T26 PolarHBondContact O-OG1 3.04Å
23	I	45.5	Very low	40.6	Very low	46 Å²	46	74.2 Å²	74.2	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-49.9	174.9	-71.6	172	0	0	0	111	Y19 Y25 T26 F27	Y19-I23 HydrophobicContact CD1-CD1 3.76Å; Y19-I23 HydrophobicContact CD2-CD1 3.93Å; Y19-I23 HydrophobicContact CE1-CD1 3.32Å; Y19-I23 HydrophobicContact CE2-CD1 3.52Å; Y19-I23 HydrophobicContact CG-CD1 4.04Å; Y19-I23 WeakPolarHBondContact O-CB 3.46Å; Y19-I23 VanDerWaalsContact O-CG1 3.29Å; Y19-I23 WeakPolarHBondContact O-CG1 3.36Å; Y19-I23 PolarHBondContact O-N 3Å; I23-Y25 PolarHBondContact O-N 3.46Å; I23-T26 WeakPolarHBondContact CA-OG1 3.08Å; I23-T26 PolarHBondContact O-N 2.67Å; I23-T26 PolarHBondContact O-OG1 2.81Å; I23-F27 HydrophobicContact CG2-CD2 4.02Å; I23-F27 HydrophobicContact CG2-CE2 4.38Å; I23-F27 WeakPolarHBondContact O-CB 3.42Å; I23-F27 PolarHBondContact O-N 2.88Å
24	H	42	Very low	40.2	Very low	117 Å²	117	74.8 Å²	74.8	54%	0.542	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-33.2	177.5	-80.9	-17.3	0	0	0	112.2	L20 S28	L20-H24 VanDerWaalsContact O-CB 3.27Å; L20-H24 WeakPolarHBondContact O-CB 3.09Å; L20-H24 PolarHBondContact O-N 2.95Å; H24-S28 WeakPolarHBondContact O-CB 3.44Å; H24-S28 PolarHBondContact O-N 3.25Å
25	Y	41.9	Very low	39.4	Very low	48 Å²	48	78.9 Å²	78.9	19%	0.188	42%	0.423	C	S	.	.	H	α-helix	trans	-71.4	-43.8	176.1	-179.1	-95.5	0	0	0	112.7	I21 I23 S28 S29 T46 F49 M50	I21-Y25 WeakPolarHBondContact O-CB 3.43Å; I21-Y25 PolarHBondContact O-N 2.81Å; I23-Y25 PolarHBondContact O-N 3.46Å; Y25-S28 PolarHBondContact O-N 2.8Å; Y25-S29 WeakPolarHBondContact O-CB 3.32Å; Y25-S29 PolarHBondContact O-N 3.38Å; Y25-S29 PolarHBondContact O-OG 3.01Å; Y25-T46 HydrophobicContact CE2-CG2 4.03Å; Y25-T46 VanDerWaalsContact OH-CG2 3.28Å; Y25-T46 WeakPolarHBondContact OH-CG2 3.42Å; Y25-T46 PolarHBondContact OH-O 2.68Å; Y25-F49 HydrophobicContact CE2-CD1 4.03Å; Y25-F49 HydrophobicContact CE2-CE1 4.38Å; Y25-M50 HydrophobicContact CE1-CE 3.72Å; Y25-M50 HydrophobicContact CE1-SD 4.18Å; Y25-M50 WeakPolarHBondContact OH-CG 3.39Å
26	T	38.8	Very low	38.3	Very low	25 Å²	25	78.7 Å²	78.7	15%	0.153	44%	0.438	C	S	.	.	H	α-helix	trans	-67.4	-37.4	176.3	44.2	0	0	0	0	112.3	L22 I23 S29 N30 I213	L22-T26 WeakPolarHBondContact O-CB 3.33Å; L22-T26 WeakPolarHBondContact O-CG2 3.35Å; L22-T26 PolarHBondContact O-N 3.11Å; L22-T26 PolarHBondContact O-OG1 3.04Å; I23-T26 WeakPolarHBondContact CA-OG1 3.08Å; I23-T26 PolarHBondContact O-N 2.67Å; I23-T26 PolarHBondContact O-OG1 2.81Å; T26-S29 PolarHBondContact O-OG 2.69Å; T26-N30 WeakPolarHBondContact O-CB 3.3Å; T26-N30 PolarHBondContact O-N 3.26Å; T26-N30 PolarHBondContact O-ND2 3.07Å; T26-I213 HydrophobicContact CG2-CG2 3.98Å
27	F	34.1	Very low	37.7	Very low	135 Å²	135	78.3 Å²	78.3	59%	0.592	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-46.3	170.7	-97.3	-93	0	0	0	111.6	I23 N30 T31	I23-F27 HydrophobicContact CG2-CD2 4.02Å; I23-F27 HydrophobicContact CG2-CE2 4.38Å; I23-F27 WeakPolarHBondContact O-CB 3.42Å; I23-F27 PolarHBondContact O-N 2.88Å; F27-N30 PolarHBondContact O-N 3.42Å; F27-T31 HydrophobicContact CD1-CG2 4.48Å; F27-T31 WeakPolarHBondContact O-CB 3.13Å; F27-T31 WeakPolarHBondContact O-CG2 3.18Å; F27-T31 PolarHBondContact O-N 2.81Å; F27-T31 VanDerWaalsContact O-N 3.07Å; F27-T31 PolarHBondContact O-OG1 3.31Å
28	S	34.9	Very low	36.8	Very low	47 Å²	47	80.6 Å²	80.6	33%	0.329	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-42.2	178.7	165.4	0	0	0	0	113	H24 Y25 G32	H24-S28 WeakPolarHBondContact O-CB 3.44Å; H24-S28 PolarHBondContact O-N 3.25Å; Y25-S28 PolarHBondContact O-N 2.8Å; S28-G32 PolarHBondContact O-N 3.04Å
29	S	35.9	Very low	35.9	Very low	62 Å²	62	81.8 Å²	81.8	43%	0.434	48%	0.481	S	S	.	.	H	α-helix	trans	-71.6	-30.9	-178.2	72.4	0	0	0	0	113.4	Y25 T26	Y25-S29 WeakPolarHBondContact O-CB 3.32Å; Y25-S29 PolarHBondContact O-N 3.38Å; Y25-S29 PolarHBondContact O-OG 3.01Å; T26-S29 PolarHBondContact O-OG 2.69Å
30	N	35	Very low	35.1	Very low	58 Å²	58	81.3 Å²	81.3	31%	0.31	49%	0.486	S	S	.	.	H	α-helix	trans	-97.3	-21.8	-173.6	-68.9	-16.8	0	0	0	114	T26 F27 L210 I213	T26-N30 WeakPolarHBondContact O-CB 3.3Å; T26-N30 PolarHBondContact O-N 3.26Å; T26-N30 PolarHBondContact O-ND2 3.07Å; F27-N30 PolarHBondContact O-N 3.42Å; N30-L210 HydrophobicContact CB-CD1 3.83Å; N30-L210 WeakPolarHBondContact ND2-CD1 3.09Å; N30-I213 WeakPolarHBondContact ND2-CD1 3.02Å
31	T	33	Very low	34.2	Very low	68 Å²	68	86.8 Å²	86.8	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-109	-9.8	-176.1	64	0	0	0	0	113.9	F27 L33	F27-T31 HydrophobicContact CD1-CG2 4.48Å; F27-T31 WeakPolarHBondContact O-CB 3.13Å; F27-T31 WeakPolarHBondContact O-CG2 3.18Å; F27-T31 PolarHBondContact O-N 2.81Å; F27-T31 VanDerWaalsContact O-N 3.07Å; F27-T31 PolarHBondContact O-OG1 3.31Å; T31-L33 PolarHBondContact O-N 2.92Å; T31-L33 WeakPolarHBondContact OG1-CB 3.32Å; T31-L33 PolarHBondContact OG1-N 3.18Å
32	G	28.4	Very low	33.4	Very low	66 Å²	66	88.5 Å²	88.5	68%	0.68	52%	0.518	S	S	*	.			trans	63	1.3	-172	0	0	0	0	0	114.1	S28 L34	S28-G32 PolarHBondContact O-N 3.04Å; G32-L34 PolarHBondContact O-N 2.83Å
33	L	27.4	Very low	32.7	Very low	118 Å²	118	93.5 Å²	93.5	62%	0.618	54%	0.544	S	S	*	.			trans	-83.1	93.9	178.2	-88.6	144.8	0	0	0	109.4	T31 V35	T31-L33 PolarHBondContact O-N 2.92Å; T31-L33 WeakPolarHBondContact OG1-CB 3.32Å; T31-L33 PolarHBondContact OG1-N 3.18Å; L33-V35 VanDerWaalsContact C-N 3.27Å; L33-V35 PolarHBondContact O-N 2.89Å
34	L	26.7	Very low	32.1	Very low	106 Å²	106	100.1 Å²	100.1	56%	0.555	57%	0.571	S	S	*	*			trans	-65.8	83.4	164.9	-89.7	158.8	0	0	0	110.1	G32 G36	G32-L34 PolarHBondContact O-N 2.83Å; L34-G36 PolarHBondContact O-N 3.03Å
35	V	26.5	Very low	31.6	Very low	127 Å²	127	102.5 Å²	102.5	77%	0.77	58%	0.576	S	S	*	*			trans	-84.7	94.6	162.9	-173.5	0	0	0	0	108.4	L33	L33-V35 VanDerWaalsContact C-N 3.27Å; L33-V35 PolarHBondContact O-N 2.89Å
36	G	24.9	Very low	31.2	Very low	67 Å²	67	103 Å²	103	69%	0.691	58%	0.584	S	S	*	*	S	Bend	trans	89.7	17.5	134.6	0	0	0	0	0	121.8	L34	L34-G36 PolarHBondContact O-N 3.03Å
37	I	29.9	Very low	30.8	Very low	115 Å²	115	105.3 Å²	105.3	59%	0.59	60%	0.601	S	S	*	*			trans	-105.8	108.3	163.8	-54.2	179.6	0	0	0	110.5	G39 L40	I37-G39 PolarHBondContact O-N 3.19Å; I37-G39 VanDerWaalsContact O-N 3.08Å; I37-L40 HydrophobicContact CB-CD1 4.22Å; I37-L40 HydrophobicContact CD1-CD1 4.32Å; I37-L40 HydrophobicContact CG2-CD1 4.06Å
38	P	24.8	Very low	30.8	Very low	128 Å²	128	102.9 Å²	102.9	83%	0.831	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	109.8	176.4	17.5	-14.7	0	0	0	110
39	G	30.1	Very low	30.8	Very low	63 Å²	63	104.4 Å²	104.4	65%	0.649	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.2	-10.8	175.8	0	0	0	0	0	115.8	I37	I37-G39 PolarHBondContact O-N 3.19Å; I37-G39 VanDerWaalsContact O-N 3.08Å
40	L	31.8	Very low	30.7	Very low	103 Å²	103	104.4 Å²	104.4	54%	0.539	59%	0.588	S	S	.	*			trans	-102.5	44.9	179.8	-81.4	156	0	0	0	112.4	I37 N42	I37-L40 HydrophobicContact CB-CD1 4.22Å; I37-L40 HydrophobicContact CD1-CD1 4.32Å; I37-L40 HydrophobicContact CG2-CD1 4.06Å; L40-N42 PolarHBondContact O-N 3.28Å
41	K	26.6	Very low	30.8	Very low	175 Å²	175	111.1 Å²	111.1	76%	0.761	61%	0.61	S	S	*	*			trans	-86	101.2	165.2	-78.3	-175.1	175.8	-177.8	0	108.6
42	N	33.2	Very low	31.2	Very low	127 Å²	127	110.7 Å²	110.7	68%	0.679	61%	0.605	S	S	*	*			trans	158	124.7	141.7	-84.3	-18.1	0	0	0	112.9	L40 K44 R45	L40-N42 PolarHBondContact O-N 3.28Å; N42-K44 PolarHBondContact O-N 3.44Å; N42-R45 PolarHBondContact O-N 3.16Å
43	N	34.5	Very low	31.9	Very low	162 Å²	162	110.6 Å²	110.6	87%	0.866	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	13.8	-177.7	-72.9	-14.6	0	0	0	117.5
44	K	34.5	Very low	32.7	Very low	185 Å²	185	106.9 Å²	106.9	80%	0.804	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-12.4	175.9	-69.2	-174.5	178.3	-178.9	0	114	N42	N42-K44 PolarHBondContact O-N 3.44Å
45	R	31.4	Very low	33.5	Very low	167 Å²	167	104.6 Å²	104.6	63%	0.63	56%	0.56	S	S	*	*	S	Bend	trans	-85.2	-14.8	-179.5	-75.9	-176	174.5	176	-1.1	113.9	N42 S47 L48 F49	N42-R45 PolarHBondContact O-N 3.16Å; R45-S47 PolarHBondContact O-N 3.37Å; R45-L48 WeakPolarHBondContact O-CB 2.82Å; R45-L48 PolarHBondContact O-N 3.3Å; R45-F49 PolarHBondContact O-N 2.81Å; R45-F49 VanDerWaalsContact O-N 3.16Å
46	T	32.9	Very low	34.4	Very low	60 Å²	60	99.4 Å²	99.4	37%	0.368	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-38	-175.7	-32.7	0	0	0	0	112.7	Y25 M50	Y25-T46 HydrophobicContact CE2-CG2 4.03Å; Y25-T46 VanDerWaalsContact OH-CG2 3.28Å; Y25-T46 WeakPolarHBondContact OH-CG2 3.42Å; Y25-T46 PolarHBondContact OH-O 2.68Å; T46-M50 PolarHBondContact O-N 3.07Å
47	S	30.9	Very low	35.5	Very low	73 Å²	73	98.1 Å²	98.1	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-75.7	-28.1	176.1	86.1	0	0	0	0	113.1	R45 R51	R45-S47 PolarHBondContact O-N 3.37Å; S47-R51 WeakPolarHBondContact O-CB 3.26Å; S47-R51 PolarHBondContact O-N 3.49Å
48	L	33.6	Very low	36.3	Very low	84 Å²	84	95 Å²	95	44%	0.44	49%	0.488	S	S	.	.	H	α-helix	trans	-69.1	-36.4	176.9	-120.2	117.6	0	0	0	111.4	R45 N52	R45-L48 WeakPolarHBondContact O-CB 2.82Å; R45-L48 PolarHBondContact O-N 3.3Å; L48-N52 VanDerWaalsContact O-CB 3.29Å; L48-N52 WeakPolarHBondContact O-CB 3.44Å; L48-N52 PolarHBondContact O-N 2.83Å
49	F	34.8	Very low	37.3	Very low	79 Å²	79	93.5 Å²	93.5	35%	0.346	47%	0.472	S	S	.	.	I	π-helix	trans	-63	-48.5	174.3	-176.3	-91.8	0	0	0	111.5	Y25 R45 L53 L54	Y25-F49 HydrophobicContact CE2-CD1 4.03Å; Y25-F49 HydrophobicContact CE2-CE1 4.38Å; R45-F49 PolarHBondContact O-N 2.81Å; R45-F49 VanDerWaalsContact O-N 3.16Å; F49-L53 HydrophobicContact CD2-CB 4.04Å; F49-L53 HydrophobicContact CD2-CD2 3.85Å; F49-L53 HydrophobicContact CD2-CG 4.43Å; F49-L53 HydrophobicContact CE2-CB 4.15Å; F49-L53 HydrophobicContact CE2-CD2 3.32Å; F49-L53 HydrophobicContact CE2-CG 4.29Å; F49-L53 HydrophobicContact CG-CB 4.37Å; F49-L53 HydrophobicContact CZ-CD2 3.96Å; F49-L53 WeakPolarHBondContact O-CA 3.32Å; F49-L53 VanDerWaalsContact O-CB 3.27Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.36Å; F49-L54 PolarHBondContact O-N 2.78Å
50	M	34.5	Very low	38.2	Very low	61 Å²	61	90.6 Å²	90.6	30%	0.3	44%	0.442	S	S	.	.	I	π-helix	trans	-66.3	-38.9	177.3	-70.1	-61.3	-135.9	0	0	113.1	Y25 T46 L54 P55	Y25-M50 HydrophobicContact CE1-CE 3.72Å; Y25-M50 HydrophobicContact CE1-SD 4.18Å; Y25-M50 WeakPolarHBondContact OH-CG 3.39Å; T46-M50 PolarHBondContact O-N 3.07Å; M50-L54 HydrophobicContact SD-CD2 3.98Å; M50-P55 WeakPolarHBondContact O-CD 3.34Å
51	R	36.9	Very low	38.9	Very low	200 Å²	200	87.7 Å²	87.7	76%	0.755	43%	0.427	S	S	*	.	I	π-helix	trans	-71.2	-34.2	-179.8	-89	-176.9	169.7	-178	-2.5	113.8	S47	S47-R51 WeakPolarHBondContact O-CB 3.26Å; S47-R51 PolarHBondContact O-N 3.49Å
52	N	40.8	Very low	39.8	Very low	59 Å²	59	82.9 Å²	82.9	32%	0.316	41%	0.407	S	S	.	.	I	π-helix	trans	-110.7	-49.5	-170.1	-65.1	-22.9	0	0	0	111.7	L48 T56 Y94	L48-N52 VanDerWaalsContact O-CB 3.29Å; L48-N52 WeakPolarHBondContact O-CB 3.44Å; L48-N52 PolarHBondContact O-N 2.83Å; N52-T56 VanDerWaalsContact O-CB 3.22Å; N52-T56 WeakPolarHBondContact O-CB 3.21Å; N52-T56 PolarHBondContact O-OG1 2.91Å; N52-Y94 VanDerWaalsContact C-OH 3.24Å; N52-Y94 WeakPolarHBondContact CA-OH 3.29Å; N52-Y94 HydrophobicContact CB-CE1 4.29Å; N52-Y94 WeakPolarHBondContact CB-OH 3.29Å; N52-Y94 PolarHBondContact O-OH 2.79Å
53	L	43.4	Very low	40.4	Very low	63 Å²	63	77.1 Å²	77.1	33%	0.33	38%	0.377	S	S	.	.	I	π-helix	trans	-76.3	-39.7	-171.1	-127.1	87.8	0	0	0	112.9	F49 T56 Y57 Y94	F49-L53 HydrophobicContact CD2-CB 4.04Å; F49-L53 HydrophobicContact CD2-CD2 3.85Å; F49-L53 HydrophobicContact CD2-CG 4.43Å; F49-L53 HydrophobicContact CE2-CB 4.15Å; F49-L53 HydrophobicContact CE2-CD2 3.32Å; F49-L53 HydrophobicContact CE2-CG 4.29Å; F49-L53 HydrophobicContact CG-CB 4.37Å; F49-L53 HydrophobicContact CZ-CD2 3.96Å; F49-L53 WeakPolarHBondContact O-CA 3.32Å; F49-L53 VanDerWaalsContact O-CB 3.27Å; F49-L53 WeakPolarHBondContact O-CB 3.44Å; F49-L53 PolarHBondContact O-N 3.36Å; L53-T56 WeakPolarHBondContact O-CB 3.31Å; L53-T56 PolarHBondContact O-N 3.49Å; L53-Y57 VanDerWaalsContact O-CB 3.24Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.03Å; L53-Y94 HydrophobicContact CD1-CD2 4.33Å; L53-Y94 HydrophobicContact CD1-CE2 4.18Å
54	L	44.7	Very low	40.8	Very low	41 Å²	41	70.3 Å²	70.3	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-47.2	-174.5	-174.6	65.5	0	0	0	113.9	F49 M50 T56 Y57 L58 L201	F49-L54 PolarHBondContact O-N 2.78Å; M50-L54 HydrophobicContact SD-CD2 3.98Å; L54-T56 VanDerWaalsContact C-N 3.25Å; L54-T56 PolarHBondContact O-N 3.48Å; L54-Y57 PolarHBondContact O-N 3.19Å; L54-L58 HydrophobicContact CG-CD1 4.2Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.33Å; L54-L58 PolarHBondContact O-N 2.83Å; L54-L201 HydrophobicContact CD2-CD2 3.58Å; L54-L201 HydrophobicContact CG-CD2 4.21Å
55	P	43.6	Very low	41.2	Very low	58 Å²	58	66 Å²	66	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-40.3	174.6	-23.3	34.9	0	0	0	111.8	M50 Y57 L58 D59	M50-P55 WeakPolarHBondContact O-CD 3.34Å; P55-Y57 VanDerWaalsContact C-N 3.29Å; P55-Y57 PolarHBondContact O-N 2.99Å; P55-L58 WeakPolarHBondContact O-CB 3.17Å; P55-L58 PolarHBondContact O-N 2.98Å; P55-D59 WeakPolarHBondContact O-CB 3.25Å; P55-D59 VanDerWaalsContact O-CG 3.31Å; P55-D59 PolarHBondContact O-N 3.28Å
56	T	45.7	Very low	41.5	Very low	17 Å²	17	62.9 Å²	62.9	10%	0.104	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-34.4	179.5	-58	0	0	0	0	112	N52 L53 L54 F60 Y94 Y97	N52-T56 VanDerWaalsContact O-CB 3.22Å; N52-T56 WeakPolarHBondContact O-CB 3.21Å; N52-T56 PolarHBondContact O-OG1 2.91Å; L53-T56 WeakPolarHBondContact O-CB 3.31Å; L53-T56 PolarHBondContact O-N 3.49Å; L54-T56 VanDerWaalsContact C-N 3.25Å; L54-T56 PolarHBondContact O-N 3.48Å; T56-F60 PolarHBondContact O-N 2.84Å; T56-Y94 HydrophobicContact CG2-CE2 3.88Å; T56-Y94 PolarHBondContact OG1-OH 2.9Å; T56-Y97 HydrophobicContact CG2-CD1 3.61Å; T56-Y97 HydrophobicContact CG2-CE1 2.93Å; T56-Y97 PolarHBondContact O-OH 2.95Å
57	Y	46.2	Very low	41.7	Very low	41 Å²	41	63.3 Å²	63.3	16%	0.161	31%	0.305	C	S	.	.	H	α-helix	trans	-74.1	-36.2	174.3	-162.8	-107.7	0	0	0	112.4	I18 L53 L54 P55 F60 L61 Y82	I18-Y57 HydrophobicContact CD1-CE1 3.98Å; I18-Y57 WeakPolarHBondContact CD1-OH 3.13Å; I18-Y57 HydrophobicContact CG1-CE1 4.11Å; I18-Y57 WeakPolarHBondContact CG1-OH 3.29Å; I18-Y57 HydrophobicContact CG2-CE1 4.22Å; L53-Y57 VanDerWaalsContact O-CB 3.24Å; L53-Y57 WeakPolarHBondContact O-CB 3.43Å; L53-Y57 PolarHBondContact O-N 3.03Å; L54-Y57 PolarHBondContact O-N 3.19Å; P55-Y57 VanDerWaalsContact C-N 3.29Å; P55-Y57 PolarHBondContact O-N 2.99Å; Y57-F60 HydrophobicContact CD2-CD1 4.29Å; Y57-F60 AromaticContact CE2-CD1 3.86Å; Y57-F60 HydrophobicContact CE2-CD1 3.86Å; Y57-F60 HydrophobicContact CE2-CE1 4.29Å; Y57-F60 WeakPolarHBondContact O-CB 3.42Å; Y57-F60 PolarHBondContact O-N 3.33Å; Y57-L61 HydrophobicContact CD1-CD1 3.99Å; Y57-L61 HydrophobicContact CD1-CG 4.25Å; Y57-L61 HydrophobicContact CE1-CD1 3.85Å; Y57-L61 HydrophobicContact CE1-CD2 4.22Å; Y57-L61 HydrophobicContact CE1-CG 4Å; Y57-L61 WeakPolarHBondContact O-CG 3.32Å; Y57-L61 PolarHBondContact O-N 2.83Å; Y57-Y82 HydrophobicContact CD2-CE2 4.05Å; Y57-Y82 AromaticContact CE2-CE2 3.72Å; Y57-Y82 HydrophobicContact CE2-CE2 3.72Å; Y57-Y82 AromaticContact CE2-CZ 3.73Å; Y57-Y82 WeakPolarHBondContact CE2-OH 3.42Å
58	L	47.2	Very low	41.9	Very low	49 Å²	49	61.2 Å²	61.2	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-67.9	-36.3	171.9	-69.7	161.6	0	0	0	111.7	L54 P55 F60 L61 H62 L201	L54-L58 HydrophobicContact CG-CD1 4.2Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.33Å; L54-L58 PolarHBondContact O-N 2.83Å; P55-L58 WeakPolarHBondContact O-CB 3.17Å; P55-L58 PolarHBondContact O-N 2.98Å; L58-F60 VanDerWaalsContact C-N 3.3Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-H62 WeakPolarHBondContact O-CB 3.49Å; L58-H62 PolarHBondContact O-N 2.9Å; L58-L201 HydrophobicContact CD1-CD1 3.34Å; L58-L201 HydrophobicContact CD1-CD2 4.15Å; L58-L201 HydrophobicContact CD1-CG 4.38Å
59	D	46.9	Very low	42.1	Very low	96 Å²	96	63.2 Å²	63.2	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-35.6	170.9	-73.7	-21.7	0	0	0	111.2	P55 H62 C63	P55-D59 WeakPolarHBondContact O-CB 3.25Å; P55-D59 VanDerWaalsContact O-CG 3.31Å; P55-D59 PolarHBondContact O-N 3.28Å; D59-H62 PolarHBondContact O-N 3.12Å; D59-C63 WeakPolarHBondContact O-CB 3.42Å; D59-C63 PolarHBondContact O-N 3.49Å
60	F	47.8	Very low	42.3	Very low	3 Å²	3	66 Å²	66	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-45.9	173.4	174.4	-106.6	0	0	0	112.4	T56 Y57 L58 H62 C63 I64 W79 Y82	T56-F60 PolarHBondContact O-N 2.84Å; Y57-F60 HydrophobicContact CD2-CD1 4.29Å; Y57-F60 AromaticContact CE2-CD1 3.86Å; Y57-F60 HydrophobicContact CE2-CD1 3.86Å; Y57-F60 HydrophobicContact CE2-CE1 4.29Å; Y57-F60 WeakPolarHBondContact O-CB 3.42Å; Y57-F60 PolarHBondContact O-N 3.33Å; L58-F60 VanDerWaalsContact C-N 3.3Å; F60-H62 PolarHBondContact O-N 2.66Å; F60-C63 PolarHBondContact O-N 3.31Å; F60-I64 HydrophobicContact CD1-CD1 3.94Å; F60-I64 HydrophobicContact CD2-CD1 4.3Å; F60-I64 HydrophobicContact CD2-CG1 4.43Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.33Å; F60-I64 HydrophobicContact CE2-CD1 3.7Å; F60-I64 HydrophobicContact CE2-CG1 4.1Å; F60-I64 HydrophobicContact CG-CD1 4.43Å; F60-I64 HydrophobicContact CZ-CD1 3.19Å; F60-I64 HydrophobicContact CZ-CG1 4.1Å; F60-I64 WeakPolarHBondContact O-CB 3.49Å; F60-I64 WeakPolarHBondContact O-CG1 2.93Å; F60-I64 PolarHBondContact O-N 3.41Å; F60-W79 AromaticContact CZ-CE3 3.93Å; F60-W79 HydrophobicContact CZ-CE3 3.93Å; F60-W79 HydrophobicContact CZ-CZ3 4.04Å; F60-Y82 AromaticContact CD1-CD2 3.95Å; F60-Y82 HydrophobicContact CD1-CD2 3.95Å; F60-Y82 AromaticContact CD1-CE2 3.94Å; F60-Y82 HydrophobicContact CD1-CE2 3.94Å; F60-Y82 AromaticContact CD2-CD2 3.83Å; F60-Y82 HydrophobicContact CD2-CD2 3.83Å; F60-Y82 HydrophobicContact CD2-CG 4.15Å; F60-Y82 HydrophobicContact CE1-CD1 4.02Å; F60-Y82 AromaticContact CE1-CD2 3.73Å; F60-Y82 HydrophobicContact CE1-CD2 3.73Å; F60-Y82 HydrophobicContact CE1-CE1 4.08Å; F60-Y82 AromaticContact CE1-CE2 3.8Å; F60-Y82 HydrophobicContact CE1-CE2 3.8Å; F60-Y82 AromaticContact CE1-CG 3.86Å; F60-Y82 HydrophobicContact CE1-CG 3.86Å; F60-Y82 AromaticContact CE1-CZ 3.99Å; F60-Y82 HydrophobicContact CE2-CD1 4.21Å; F60-Y82 AromaticContact CE2-CD2 3.63Å; F60-Y82 HydrophobicContact CE2-CD2 3.63Å; F60-Y82 AromaticContact CE2-CG 3.47Å; F60-Y82 HydrophobicContact CE2-CG 3.47Å; F60-Y82 VanDerWaalsContact CE2-CG 3.47Å; F60-Y82 AromaticContact CG-CD2 3.96Å; F60-Y82 HydrophobicContact CG-CD2 3.96Å; F60-Y82 HydrophobicContact CG-CE2 4.31Å; F60-Y82 AromaticContact CZ-CD1 3.54Å; F60-Y82 HydrophobicContact CZ-CD1 3.54Å; F60-Y82 AromaticContact CZ-CD2 3.53Å; F60-Y82 HydrophobicContact CZ-CD2 3.53Å; F60-Y82 HydrophobicContact CZ-CE1 4.07Å; F60-Y82 HydrophobicContact CZ-CE2 4.07Å; F60-Y82 AromaticContact CZ-CG 3.25Å; F60-Y82 HydrophobicContact CZ-CG 3.25Å
61	L	46.9	Very low	42.4	Very low	41 Å²	41	66.7 Å²	66.7	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-40.7	171.4	-69	175.2	0	0	0	109.8	Y57 L58 I64 F65	Y57-L61 HydrophobicContact CD1-CD1 3.99Å; Y57-L61 HydrophobicContact CD1-CG 4.25Å; Y57-L61 HydrophobicContact CE1-CD1 3.85Å; Y57-L61 HydrophobicContact CE1-CD2 4.22Å; Y57-L61 HydrophobicContact CE1-CG 4Å; Y57-L61 WeakPolarHBondContact O-CG 3.32Å; Y57-L61 PolarHBondContact O-N 2.83Å; L58-L61 PolarHBondContact O-N 3.2Å; L61-I64 PolarHBondContact O-N 3.28Å; L61-F65 HydrophobicContact CB-CD2 4.04Å; L61-F65 HydrophobicContact CB-CE2 4.17Å; L61-F65 HydrophobicContact CD2-CE2 3.95Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.08Å; L61-F65 WeakPolarHBondContact O-CD2 3.23Å; L61-F65 PolarHBondContact O-N 3.11Å
62	H	46.2	Very low	42.3	Very low	75 Å²	75	63 Å²	63	35%	0.347	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-45.8	174.3	-177.6	-105.6	0	0	0	111.9	L58 D59 F60 I64 Y66 R194	L58-H62 WeakPolarHBondContact O-CB 3.49Å; L58-H62 PolarHBondContact O-N 2.9Å; D59-H62 PolarHBondContact O-N 3.12Å; F60-H62 PolarHBondContact O-N 2.66Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 2.8Å; H62-Y66 AromaticContact CE1-CG 3.91Å; H62-Y66 WeakPolarHBondContact NE2-CB 3.41Å; H62-Y66 AromaticContact NE2-CD1 3.9Å; H62-Y66 AromaticContact NE2-CD2 3.39Å; H62-Y66 WeakPolarHBondContact NE2-CD2 3.34Å; H62-Y66 AromaticContact NE2-CG 3.29Å; H62-Y66 VanDerWaalsContact NE2-CG 3.29Å; H62-Y66 WeakPolarHBondContact O-CA 3.44Å; H62-Y66 WeakPolarHBondContact O-CB 3.48Å; H62-Y66 PolarHBondContact O-N 3.22Å; H62-R194 PolarHBondContact CD2-NH2 2.77Å; H62-R194 PolarHBondContact NE2-NH2 2.98Å
63	C	44.2	Very low	42.1	Very low	6 Å²	6	69.7 Å²	69.7	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-72.5	-26.2	179.2	-142.8	0	0	0	0	111.2	D59 F60 R67 L101 C105	D59-C63 WeakPolarHBondContact O-CB 3.42Å; D59-C63 PolarHBondContact O-N 3.49Å; F60-C63 PolarHBondContact O-N 3.31Å; C63-R67 VanDerWaalsContact O-CB 3.25Å; C63-R67 WeakPolarHBondContact O-CB 3.39Å; C63-R67 PolarHBondContact O-N 2.88Å; C63-R67 WeakPolarHBondContact SG-CD 3.18Å; C63-L101 HydrophobicContact CB-CD2 4.23Å; C63-C105 WeakPolarHBondContact CB-SG 3.48Å; C63-C105 WeakPolarHBondContact SG-CB 3.22Å; C63-C105 CovalentContact SG-SG 2.11Å; C63-C105 PolarHBondContact SG-SG 3.26Å
64	I	44	Very low	42	Very low	19 Å²	19	69 Å²	69	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-70.7	-60.2	167.3	-72.3	-177.4	0	0	0	110.7	F60 L61 H62 Y66 S68	F60-I64 HydrophobicContact CD1-CD1 3.94Å; F60-I64 HydrophobicContact CD2-CD1 4.3Å; F60-I64 HydrophobicContact CD2-CG1 4.43Å; F60-I64 HydrophobicContact CE1-CD1 3.3Å; F60-I64 HydrophobicContact CE1-CG1 4.33Å; F60-I64 HydrophobicContact CE2-CD1 3.7Å; F60-I64 HydrophobicContact CE2-CG1 4.1Å; F60-I64 HydrophobicContact CG-CD1 4.43Å; F60-I64 HydrophobicContact CZ-CD1 3.19Å; F60-I64 HydrophobicContact CZ-CG1 4.1Å; F60-I64 WeakPolarHBondContact O-CB 3.49Å; F60-I64 WeakPolarHBondContact O-CG1 2.93Å; F60-I64 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 3.28Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 2.8Å; I64-Y66 PolarHBondContact O-N 2.84Å; I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.45Å; I64-S68 VanDerWaalsContact O-N 3.13Å; I64-S68 PolarHBondContact O-OG 3.02Å
65	F	41.9	Very low	41.7	Very low	93 Å²	93	68.4 Å²	68.4	41%	0.408	32%	0.318	S	S	.	.	H	α-helix	trans	-68.2	-33.5	-173.7	-74.4	-68.3	0	0	0	113.3	L61 H69	L61-F65 HydrophobicContact CB-CD2 4.04Å; L61-F65 HydrophobicContact CB-CE2 4.17Å; L61-F65 HydrophobicContact CD2-CE2 3.95Å; L61-F65 VanDerWaalsContact O-CB 3.29Å; L61-F65 WeakPolarHBondContact O-CB 3.08Å; L61-F65 WeakPolarHBondContact O-CD2 3.23Å; L61-F65 PolarHBondContact O-N 3.11Å; F65-H69 PolarHBondContact O-CD2 3.49Å
66	Y	38.4	Very low	41.6	Very low	102 Å²	102	69.7 Å²	69.7	40%	0.4	32%	0.319	S	S	.	.	H	α-helix	trans	-95.1	-32.8	-172.9	-154.9	-90.1	0	0	0	113.2	H62 I64	H62-Y66 AromaticContact CE1-CG 3.91Å; H62-Y66 WeakPolarHBondContact NE2-CB 3.41Å; H62-Y66 AromaticContact NE2-CD1 3.9Å; H62-Y66 AromaticContact NE2-CD2 3.39Å; H62-Y66 WeakPolarHBondContact NE2-CD2 3.34Å; H62-Y66 AromaticContact NE2-CG 3.29Å; H62-Y66 VanDerWaalsContact NE2-CG 3.29Å; H62-Y66 WeakPolarHBondContact O-CA 3.44Å; H62-Y66 WeakPolarHBondContact O-CB 3.48Å; H62-Y66 PolarHBondContact O-N 3.22Å; I64-Y66 PolarHBondContact O-N 2.84Å
67	R	37.7	Very low	41.5	Very low	69 Å²	69	72 Å²	72	26%	0.26	33%	0.33	S	S	.	.	H	α-helix	trans	-102.7	-18.8	-176.9	-92.8	160.9	161.2	-104.2	-2.6	114.2	C63 H69 H70 N71 C104 C105	C63-R67 VanDerWaalsContact O-CB 3.25Å; C63-R67 WeakPolarHBondContact O-CB 3.39Å; C63-R67 PolarHBondContact O-N 2.88Å; C63-R67 WeakPolarHBondContact SG-CD 3.18Å; R67-H69 PolarHBondContact O-N 3.48Å; R67-H70 PolarHBondContact O-N 3.42Å; R67-H70 VanDerWaalsContact O-N 3.14Å; R67-N71 PolarHBondContact O-N 3.49Å; R67-C104 PolarHBondContact NH1-O 2.82Å; R67-C105 VanDerWaalsContact CZ-C 3.48Å; R67-C105 VanDerWaalsContact CZ-O 3.28Å; R67-C105 PolarHBondContact NH2-O 2.88Å
68	S	34.4	Very low	41.4	Very low	30 Å²	30	70.2 Å²	70.2	21%	0.21	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.8	169.9	75.7	0	0	0	0	112.9	I64 H70	I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.45Å; I64-S68 VanDerWaalsContact O-N 3.13Å; I64-S68 PolarHBondContact O-OG 3.02Å; S68-H70 VanDerWaalsContact C-N 3.29Å
69	H	38.7	Very low	41.1	Very low	125 Å²	125	71.3 Å²	71.3	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.9	175.2	-78.7	-54.3	0	0	0	114.2	F65 R67	F65-H69 PolarHBondContact O-CD2 3.49Å; R67-H69 PolarHBondContact O-N 3.48Å
70	H	37.2	Very low	40.9	Very low	139 Å²	139	70.2 Å²	70.2	64%	0.644	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-16.8	-173.9	-67.6	-54.6	0	0	0	114.9	R67 S68	R67-H70 PolarHBondContact O-N 3.42Å; R67-H70 VanDerWaalsContact O-N 3.14Å; S68-H70 VanDerWaalsContact C-N 3.29Å
71	N	36.9	Very low	40.7	Very low	74 Å²	74	71.2 Å²	71.2	40%	0.396	32%	0.324	S	S	.	.			trans	-162.5	117.9	173.5	-102.4	-37.1	0	0	0	113.1	R67 Y73 D74	R67-N71 PolarHBondContact O-N 3.49Å; N71-Y73 PolarHBondContact O-N 3.15Å; N71-D74 HydrophobicContact CB-CB 4.27Å; N71-D74 WeakPolarHBondContact CB-OD2 3.5Å; N71-D74 PolarHBondContact O-N 3.46Å; N71-D74 VanDerWaalsContact O-N 3.12Å
72	Y	35.6	Very low	40.5	Very low	124 Å²	124	70.7 Å²	70.7	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-31	174.3	-178	-92.1	0	0	0	113.1	H76	Y72-H76 PolarHBondContact O-N 3.45Å
73	Y	36.6	Very low	40.1	Very low	198 Å²	198	68.8 Å²	68.8	78%	0.776	31%	0.314	S	S	*	.	H	α-helix	trans	-66.6	-35.1	177.2	-95	-86.6	0	0	0	113.5	N71 L77	N71-Y73 PolarHBondContact O-N 3.15Å; Y73-L77 PolarHBondContact O-N 2.95Å
74	D	41.1	Very low	39.8	Very low	49 Å²	49	73.2 Å²	73.2	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-74.5	-31.6	-178.9	-72.2	-30.7	0	0	0	111.5	N71 L77 C78	N71-D74 HydrophobicContact CB-CB 4.27Å; N71-D74 WeakPolarHBondContact CB-OD2 3.5Å; N71-D74 PolarHBondContact O-N 3.46Å; N71-D74 VanDerWaalsContact O-N 3.12Å; D74-L77 PolarHBondContact O-N 3.19Å; D74-C78 WeakPolarHBondContact O-CB 3.48Å; D74-C78 PolarHBondContact O-N 3.07Å; D74-C78 PolarHBondContact O-SG 3.07Å
75	H	38.2	Very low	39.6	Very low	28 Å²	28	73.9 Å²	73.9	13%	0.13	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-48.1	174.8	-179.4	68.2	0	0	0	111.9	L77 C78 W79	H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 2.64Å; H75-C78 PolarHBondContact O-N 3.28Å; H75-W79 VanDerWaalsContact O-CB 3.29Å; H75-W79 WeakPolarHBondContact O-CB 3.2Å; H75-W79 PolarHBondContact O-N 3.3Å
76	H	41.6	Very low	39.4	Very low	86 Å²	86	75.4 Å²	75.4	40%	0.398	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-33.4	-179.5	-136.4	-56	0	0	0	112.2	Y72 N80	Y72-H76 PolarHBondContact O-N 3.45Å; H76-N80 WeakPolarHBondContact O-CB 3.42Å; H76-N80 PolarHBondContact O-N 3.23Å; H76-N80 PolarHBondContact O-ND2 2.89Å; H76-N80 PolarHBondContact O-OD1 2.73Å
77	L	43.8	Very low	39.3	Very low	65 Å²	65	78.5 Å²	78.5	34%	0.34	36%	0.363	S	S	.	.	H	α-helix	trans	-69	-48.2	175.7	-171.5	70	0	0	0	111.5	Y73 D74 H75 W79 N80 I81 C104	Y73-L77 PolarHBondContact O-N 2.95Å; D74-L77 PolarHBondContact O-N 3.19Å; H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 2.64Å; L77-W79 VanDerWaalsContact C-N 3.3Å; L77-W79 PolarHBondContact O-N 2.76Å; L77-N80 PolarHBondContact O-N 2.74Å; L77-I81 HydrophobicContact CG-CD1 4.17Å; L77-I81 WeakPolarHBondContact O-CD1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.41Å; L77-I81 PolarHBondContact O-N 2.8Å; L77-I81 VanDerWaalsContact O-N 3.08Å; L77-C104 VanDerWaalsContact CD2-SG 3.54Å
78	C	45.1	Very low	39.2	Very low	3 Å²	3	76.7 Å²	76.7	2%	0.02	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-37.9	177.1	-65.7	0	0	0	0	111.7	D74 H75 Y82	D74-C78 WeakPolarHBondContact O-CB 3.48Å; D74-C78 PolarHBondContact O-N 3.07Å; D74-C78 PolarHBondContact O-SG 3.07Å; H75-C78 PolarHBondContact O-N 3.28Å; C78-Y82 WeakPolarHBondContact O-CB 3.28Å; C78-Y82 PolarHBondContact O-N 3.06Å
79	W	39.6	Very low	39.2	Very low	73 Å²	73	87.1 Å²	87.1	28%	0.277	40%	0.396	S	S	.	.	H	α-helix	trans	-68	-44.4	176.1	-177.4	-104.1	0	0	0	112.9	N14 F60 H75 L77 I81 Y82 S83	N14-W79 WeakPolarHBondContact ND2-CH2 3.48Å; F60-W79 AromaticContact CZ-CE3 3.93Å; F60-W79 HydrophobicContact CZ-CE3 3.93Å; F60-W79 HydrophobicContact CZ-CZ3 4.04Å; H75-W79 VanDerWaalsContact O-CB 3.29Å; H75-W79 WeakPolarHBondContact O-CB 3.2Å; H75-W79 PolarHBondContact O-N 3.3Å; L77-W79 VanDerWaalsContact C-N 3.3Å; L77-W79 PolarHBondContact O-N 2.76Å; W79-I81 VanDerWaalsContact C-N 3.28Å; W79-I81 PolarHBondContact O-N 3.29Å; W79-Y82 HydrophobicContact CE3-CD1 4.23Å; W79-Y82 HydrophobicContact CH2-CD1 4.22Å; W79-Y82 HydrophobicContact CH2-CE1 4.4Å; W79-Y82 AromaticContact CZ3-CD1 3.81Å; W79-Y82 HydrophobicContact CZ3-CD1 3.81Å; W79-Y82 HydrophobicContact CZ3-CE1 4.16Å; W79-Y82 PolarHBondContact O-N 3.39Å; W79-Y82 VanDerWaalsContact O-N 3.1Å; W79-S83 VanDerWaalsContact O-CB 3.3Å; W79-S83 WeakPolarHBondContact O-CB 3.4Å; W79-S83 PolarHBondContact O-N 2.74Å
80	N	42.2	Very low	39.1	Very low	73 Å²	73	89.1 Å²	89.1	39%	0.39	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-38.9	177.1	-72.1	-9.6	0	0	0	111.3	H76 L77 Y82 D84	H76-N80 WeakPolarHBondContact O-CB 3.42Å; H76-N80 PolarHBondContact O-N 3.23Å; H76-N80 PolarHBondContact O-ND2 2.89Å; H76-N80 PolarHBondContact O-OD1 2.73Å; L77-N80 PolarHBondContact O-N 2.74Å; N80-Y82 VanDerWaalsContact C-N 3.32Å; N80-Y82 PolarHBondContact O-N 2.74Å; N80-D84 WeakPolarHBondContact O-CB 3.39Å; N80-D84 PolarHBondContact O-N 3.48Å; N80-D84 VanDerWaalsContact O-N 3.15Å
81	I	44.6	Very low	38.9	Very low	23 Å²	23	87.5 Å²	87.5	12%	0.118	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-40.2	173.6	-67.2	163.3	0	0	0	111	L77 W79 D85 Y97 K100 C104	L77-I81 HydrophobicContact CG-CD1 4.17Å; L77-I81 WeakPolarHBondContact O-CD1 3.23Å; L77-I81 WeakPolarHBondContact O-CG1 3.41Å; L77-I81 PolarHBondContact O-N 2.8Å; L77-I81 VanDerWaalsContact O-N 3.08Å; W79-I81 VanDerWaalsContact C-N 3.28Å; W79-I81 PolarHBondContact O-N 3.29Å; I81-D85 WeakPolarHBondContact O-CB 3.15Å; I81-Y97 HydrophobicContact CG2-CD2 4.38Å; I81-K100 HydrophobicContact CD1-CB 4.35Å; I81-K100 HydrophobicContact CG1-CD 4.49Å; I81-K100 HydrophobicContact CG2-CB 4.11Å; I81-K100 HydrophobicContact CG2-CD 4.05Å; I81-C104 WeakPolarHBondContact CD1-SG 3.3Å
82	Y	42.3	Very low	38.9	Very low	31 Å²	31	89.5 Å²	89.5	12%	0.122	41%	0.405	C	S	.	.	H	α-helix	trans	-73	-46.7	178.8	-178.1	-95.5	0	0	0	113.2	Y57 F60 C78 W79 N80 F86 Y97	Y57-Y82 HydrophobicContact CD2-CE2 4.05Å; Y57-Y82 AromaticContact CE2-CE2 3.72Å; Y57-Y82 HydrophobicContact CE2-CE2 3.72Å; Y57-Y82 AromaticContact CE2-CZ 3.73Å; Y57-Y82 WeakPolarHBondContact CE2-OH 3.42Å; F60-Y82 AromaticContact CD1-CD2 3.95Å; F60-Y82 HydrophobicContact CD1-CD2 3.95Å; F60-Y82 AromaticContact CD1-CE2 3.94Å; F60-Y82 HydrophobicContact CD1-CE2 3.94Å; F60-Y82 AromaticContact CD2-CD2 3.83Å; F60-Y82 HydrophobicContact CD2-CD2 3.83Å; F60-Y82 HydrophobicContact CD2-CG 4.15Å; F60-Y82 HydrophobicContact CE1-CD1 4.02Å; F60-Y82 AromaticContact CE1-CD2 3.73Å; F60-Y82 HydrophobicContact CE1-CD2 3.73Å; F60-Y82 HydrophobicContact CE1-CE1 4.08Å; F60-Y82 AromaticContact CE1-CE2 3.8Å; F60-Y82 HydrophobicContact CE1-CE2 3.8Å; F60-Y82 AromaticContact CE1-CG 3.86Å; F60-Y82 HydrophobicContact CE1-CG 3.86Å; F60-Y82 AromaticContact CE1-CZ 3.99Å; F60-Y82 HydrophobicContact CE2-CD1 4.21Å; F60-Y82 AromaticContact CE2-CD2 3.63Å; F60-Y82 HydrophobicContact CE2-CD2 3.63Å; F60-Y82 AromaticContact CE2-CG 3.47Å; F60-Y82 HydrophobicContact CE2-CG 3.47Å; F60-Y82 VanDerWaalsContact CE2-CG 3.47Å; F60-Y82 AromaticContact CG-CD2 3.96Å; F60-Y82 HydrophobicContact CG-CD2 3.96Å; F60-Y82 HydrophobicContact CG-CE2 4.31Å; F60-Y82 AromaticContact CZ-CD1 3.54Å; F60-Y82 HydrophobicContact CZ-CD1 3.54Å; F60-Y82 AromaticContact CZ-CD2 3.53Å; F60-Y82 HydrophobicContact CZ-CD2 3.53Å; F60-Y82 HydrophobicContact CZ-CE1 4.07Å; F60-Y82 HydrophobicContact CZ-CE2 4.07Å; F60-Y82 AromaticContact CZ-CG 3.25Å; F60-Y82 HydrophobicContact CZ-CG 3.25Å; C78-Y82 WeakPolarHBondContact O-CB 3.28Å; C78-Y82 PolarHBondContact O-N 3.06Å; W79-Y82 HydrophobicContact CE3-CD1 4.23Å; W79-Y82 HydrophobicContact CH2-CD1 4.22Å; W79-Y82 HydrophobicContact CH2-CE1 4.4Å; W79-Y82 AromaticContact CZ3-CD1 3.81Å; W79-Y82 HydrophobicContact CZ3-CD1 3.81Å; W79-Y82 HydrophobicContact CZ3-CE1 4.16Å; W79-Y82 PolarHBondContact O-N 3.39Å; W79-Y82 VanDerWaalsContact O-N 3.1Å; N80-Y82 VanDerWaalsContact C-N 3.32Å; N80-Y82 PolarHBondContact O-N 2.74Å; Y82-F86 HydrophobicContact CE1-CD2 4.24Å; Y82-F86 AromaticContact CE2-CD2 3.81Å; Y82-F86 HydrophobicContact CE2-CD2 3.81Å; Y82-F86 HydrophobicContact CE2-CE2 4Å; Y82-F86 AromaticContact CZ-CD2 3.62Å; Y82-F86 AromaticContact CZ-CE2 3.76Å; Y82-F86 WeakPolarHBondContact O-CB 3.31Å; Y82-F86 PolarHBondContact O-N 3.22Å; Y82-F86 VanDerWaalsContact OH-CE2 3.24Å; Y82-F86 WeakPolarHBondContact OH-CE2 3.38Å; Y82-Y97 HydrophobicContact CD2-CE2 4.34Å
83	S	38	Very low	39.2	Very low	35 Å²	35	87.3 Å²	87.3	25%	0.245	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-45.8	-178.7	153.8	0	0	0	0	113.1	W79	W79-S83 VanDerWaalsContact O-CB 3.3Å; W79-S83 WeakPolarHBondContact O-CB 3.4Å; W79-S83 PolarHBondContact O-N 2.74Å
84	D	39	Very low	39.2	Very low	99 Å²	99	79.7 Å²	79.7	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-75.2	-33.2	-174.4	-71.1	-16.6	0	0	0	111.6	N80	N80-D84 WeakPolarHBondContact O-CB 3.39Å; N80-D84 PolarHBondContact O-N 3.48Å; N80-D84 VanDerWaalsContact O-N 3.15Å
85	D	39.6	Very low	39.1	Very low	33 Å²	33	83.9 Å²	83.9	18%	0.176	39%	0.385	C	S	.	.	H	α-helix	trans	-92.6	-17.1	-175.5	-67.1	-25.1	0	0	0	112.8	I81 K87 S88 K100	I81-D85 WeakPolarHBondContact O-CB 3.15Å; D85-K87 PolarHBondContact O-N 3.19Å; D85-S88 WeakPolarHBondContact O-CB 3.23Å; D85-S88 PolarHBondContact O-N 3.48Å; D85-K100 IonicContact OD1-NZ 2.8Å; D85-K100 IonicContact OD2-NZ 2.8Å; D85-K100 PolarHBondContact OD2-NZ 3.34Å
86	F	37.8	Very low	39.6	Very low	125 Å²	125	86.7 Å²	86.7	55%	0.548	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	169.3	-139.6	-91.9	0	0	0	112.9	Y82 S88	Y82-F86 HydrophobicContact CE1-CD2 4.24Å; Y82-F86 AromaticContact CE2-CD2 3.81Å; Y82-F86 HydrophobicContact CE2-CD2 3.81Å; Y82-F86 HydrophobicContact CE2-CE2 4Å; Y82-F86 AromaticContact CZ-CD2 3.62Å; Y82-F86 AromaticContact CZ-CE2 3.76Å; Y82-F86 WeakPolarHBondContact O-CB 3.31Å; Y82-F86 PolarHBondContact O-N 3.22Å; Y82-F86 VanDerWaalsContact OH-CE2 3.24Å; Y82-F86 WeakPolarHBondContact OH-CE2 3.38Å; F86-S88 PolarHBondContact O-N 2.88Å
87	K	35.7	Very low	39.7	Very low	167 Å²	167	83.6 Å²	83.6	73%	0.726	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.4	170.4	-67.1	174.6	-177.7	168.4	0	112.1	D85	D85-K87 PolarHBondContact O-N 3.19Å
88	S	35	Very low	39.6	Very low	31 Å²	31	86.9 Å²	86.9	22%	0.217	40%	0.398	C	S	.	.			trans	-82.5	131.7	177.5	-178.6	0	0	0	0	112.6	D85 F86 R90 E93	D85-S88 WeakPolarHBondContact O-CB 3.23Å; D85-S88 PolarHBondContact O-N 3.48Å; F86-S88 PolarHBondContact O-N 2.88Å; S88-R90 PolarHBondContact OG-N 3.45Å; S88-R90 VanDerWaalsContact OG-N 3.14Å; S88-E93 WeakPolarHBondContact CB-OE2 3.15Å; S88-E93 WeakPolarHBondContact OG-CB 3.49Å; S88-E93 PolarHBondContact OG-OE2 3.4Å
89	R	34.1	Very low	39.8	Very low	248 Å²	248	94 Å²	94	94%	0.936	43%	0.425	S	S	*	.			trans	-94.8	10.1	171	-66	-175.1	-179.1	-174.7	-0.5	113.3
90	R	38.2	Very low	40.3	Very low	167 Å²	167	94 Å²	94	63%	0.63	43%	0.427	S	S	*	.			trans	-112.9	127.5	-170.1	-67.5	-173	176.4	-159.9	-1.6	113	S88 D92 E93	S88-R90 PolarHBondContact OG-N 3.45Å; S88-R90 VanDerWaalsContact OG-N 3.14Å; R90-D92 PolarHBondContact O-N 3.13Å; R90-E93 HydrophobicContact CB-CG 4.21Å; R90-E93 WeakPolarHBondContact O-CB 3.41Å; R90-E93 PolarHBondContact O-N 2.84Å; R90-E93 VanDerWaalsContact O-N 3.14Å
91	L	31.3	Very low	40.4	Very low	105 Å²	105	91 Å²	91	55%	0.55	41%	0.411	S	S	.	.	H	α-helix	trans	-59.5	-28.5	175.9	-86.1	154.9	0	0	0	113.3	E93 Y94 F95	L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.41Å; L91-Y94 WeakPolarHBondContact O-CB 3.49Å; L91-Y94 PolarHBondContact O-N 2.83Å; L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 PolarHBondContact O-N 2.96Å
92	D	37.3	Very low	40.3	Very low	117 Å²	117	97.5 Å²	97.5	63%	0.626	44%	0.435	S	S	*	.	H	α-helix	trans	-67.4	-31.9	179.3	-32.6	-30.7	0	0	0	111	R90 Y94 N96	R90-D92 PolarHBondContact O-N 3.13Å; D92-Y94 VanDerWaalsContact C-N 3.34Å; D92-N96 PolarHBondContact O-N 2.76Å
93	E	41.7	Very low	40.6	Very low	78 Å²	78	98.8 Å²	98.8	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-76.5	-25.6	177.1	-63.2	175.9	-152.9	0	0	110.9	S88 R90 L91 N96 Y97	S88-E93 WeakPolarHBondContact CB-OE2 3.15Å; S88-E93 WeakPolarHBondContact OG-CB 3.49Å; S88-E93 PolarHBondContact OG-OE2 3.4Å; R90-E93 HydrophobicContact CB-CG 4.21Å; R90-E93 WeakPolarHBondContact O-CB 3.41Å; R90-E93 PolarHBondContact O-N 2.84Å; R90-E93 VanDerWaalsContact O-N 3.14Å; L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.41Å; E93-N96 WeakPolarHBondContact O-CB 3.09Å; E93-N96 PolarHBondContact O-N 3.36Å; E93-Y97 PolarHBondContact O-N 3.07Å
94	Y	38	Very low	40.8	Very low	38 Å²	38	97.8 Å²	97.8	15%	0.149	44%	0.437	C	S	.	.	H	α-helix	trans	-70.1	-36.3	172.8	169.3	-86.8	0	0	0	113.8	N52 L53 T56 L91 D92 N96 Y97 K98	N52-Y94 VanDerWaalsContact C-OH 3.24Å; N52-Y94 WeakPolarHBondContact CA-OH 3.29Å; N52-Y94 HydrophobicContact CB-CE1 4.29Å; N52-Y94 WeakPolarHBondContact CB-OH 3.29Å; N52-Y94 PolarHBondContact O-OH 2.79Å; L53-Y94 HydrophobicContact CD1-CD2 4.33Å; L53-Y94 HydrophobicContact CD1-CE2 4.18Å; T56-Y94 HydrophobicContact CG2-CE2 3.88Å; T56-Y94 PolarHBondContact OG1-OH 2.9Å; L91-Y94 WeakPolarHBondContact O-CB 3.49Å; L91-Y94 PolarHBondContact O-N 2.83Å; D92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-N96 VanDerWaalsContact C-N 3.29Å; Y94-N96 PolarHBondContact O-N 2.84Å; Y94-Y97 VanDerWaalsContact O-CB 3.27Å; Y94-Y97 WeakPolarHBondContact O-CB 3.44Å; Y94-Y97 PolarHBondContact O-N 3.41Å; Y94-K98 PolarHBondContact O-N 3.21Å
95	F	38.3	Very low	40.8	Very low	136 Å²	136	94.6 Å²	94.6	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-68.4	-34.1	172.3	-76.4	-73	0	0	0	111.9	L91 Y97 K98 Y99	L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 PolarHBondContact O-N 2.96Å; F95-Y97 VanDerWaalsContact C-N 3.31Å; F95-K98 PolarHBondContact O-N 2.91Å; F95-Y99 PolarHBondContact O-N 3.47Å
96	N	47.8	Very low	40.6	Very low	88 Å²	88	97 Å²	97	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-64.9	-38	171.8	-133.6	-5.9	0	0	0	111.1	D92 E93 Y94 Y99 K100	D92-N96 PolarHBondContact O-N 2.76Å; E93-N96 WeakPolarHBondContact O-CB 3.09Å; E93-N96 PolarHBondContact O-N 3.36Å; Y94-N96 VanDerWaalsContact C-N 3.29Å; Y94-N96 PolarHBondContact O-N 2.84Å; N96-Y99 PolarHBondContact O-N 2.67Å; N96-K100 WeakPolarHBondContact O-CB 3.21Å; N96-K100 VanDerWaalsContact O-CG 3.26Å; N96-K100 WeakPolarHBondContact O-CG 3.36Å; N96-K100 PolarHBondContact O-N 3.38Å
97	Y	43.6	Very low	40.8	Very low	21 Å²	21	98.1 Å²	98.1	8%	0.082	44%	0.44	C	S	.	.	H	α-helix	trans	-58.3	-50	171.4	168	-73.9	0	0	0	111.9	T56 I81 Y82 E93 Y94 F95 Y99 K100 L101	T56-Y97 HydrophobicContact CG2-CD1 3.61Å; T56-Y97 HydrophobicContact CG2-CE1 2.93Å; T56-Y97 PolarHBondContact O-OH 2.95Å; I81-Y97 HydrophobicContact CG2-CD2 4.38Å; Y82-Y97 HydrophobicContact CD2-CE2 4.34Å; E93-Y97 PolarHBondContact O-N 3.07Å; Y94-Y97 VanDerWaalsContact O-CB 3.27Å; Y94-Y97 WeakPolarHBondContact O-CB 3.44Å; Y94-Y97 PolarHBondContact O-N 3.41Å; F95-Y97 VanDerWaalsContact C-N 3.31Å; Y97-Y99 PolarHBondContact O-N 3.4Å; Y97-K100 PolarHBondContact O-N 3.11Å; Y97-K100 VanDerWaalsContact O-N 3.16Å; Y97-L101 HydrophobicContact CD1-CD1 4.07Å; Y97-L101 HydrophobicContact CD2-CD1 4.11Å; Y97-L101 HydrophobicContact CE1-CD1 3.28Å; Y97-L101 HydrophobicContact CE1-CG 4.47Å; Y97-L101 HydrophobicContact CE2-CD1 3.49Å; Y97-L101 VanDerWaalsContact CE2-CD1 3.49Å; Y97-L101 HydrophobicContact CG-CD1 4.4Å; Y97-L101 WeakPolarHBondContact O-CB 3.49Å; Y97-L101 PolarHBondContact O-N 3.38Å; Y97-L101 WeakPolarHBondContact OH-CD1 3.46Å
98	K	43	Very low	40.3	Very low	133 Å²	133	95.7 Å²	95.7	58%	0.578	44%	0.441	S	S	*	.	H	α-helix	trans	-59.3	-39.5	179.9	-170.8	176.5	-178.5	176.8	0	111	Y94 F95 Y102	Y94-K98 PolarHBondContact O-N 3.21Å; F95-K98 PolarHBondContact O-N 2.91Å; K98-Y102 WeakPolarHBondContact O-CB 3.47Å; K98-Y102 PolarHBondContact O-N 3.24Å
99	Y	48.1	Very low	40	Very low	153 Å²	153	100.4 Å²	100.4	60%	0.6	47%	0.469	S	S	*	.	H	α-helix	trans	-69.6	-42.8	176.5	-171.4	-102.4	0	0	0	113.1	F95 N96 Y97 N103	F95-Y99 PolarHBondContact O-N 3.47Å; N96-Y99 PolarHBondContact O-N 2.67Å; Y97-Y99 PolarHBondContact O-N 3.4Å; Y99-N103 WeakPolarHBondContact CD1-ND2 3.45Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.49Å; Y99-N103 WeakPolarHBondContact O-CB 3.46Å; Y99-N103 VanDerWaalsContact O-CG 3.3Å; Y99-N103 PolarHBondContact O-N 3.12Å; Y99-N103 PolarHBondContact O-ND2 2.86Å
100	K	50	Low	39.5	Very low	72 Å²	72	92.8 Å²	92.8	31%	0.313	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-42	176.2	-75.2	175.6	-168.7	172.6	0	112.1	I81 D85 N96 Y97 N103 C104	I81-K100 HydrophobicContact CD1-CB 4.35Å; I81-K100 HydrophobicContact CG1-CD 4.49Å; I81-K100 HydrophobicContact CG2-CB 4.11Å; I81-K100 HydrophobicContact CG2-CD 4.05Å; D85-K100 IonicContact OD1-NZ 2.8Å; D85-K100 IonicContact OD2-NZ 2.8Å; D85-K100 PolarHBondContact OD2-NZ 3.34Å; N96-K100 WeakPolarHBondContact O-CB 3.21Å; N96-K100 VanDerWaalsContact O-CG 3.26Å; N96-K100 WeakPolarHBondContact O-CG 3.36Å; N96-K100 PolarHBondContact O-N 3.38Å; Y97-K100 PolarHBondContact O-N 3.11Å; Y97-K100 VanDerWaalsContact O-N 3.16Å; K100-N103 PolarHBondContact O-N 3Å; K100-C104 WeakPolarHBondContact O-CB 3.33Å; K100-C104 PolarHBondContact O-N 3.29Å; K100-C104 PolarHBondContact O-SG 3.3Å
101	L	46	Very low	39	Very low	12 Å²	12	92.3 Å²	92.3	6%	0.063	47%	0.469	C	S	.	.	H	α-helix	trans	-70	-42.6	177.8	-120.3	130.9	0	0	0	111.4	C63 Y97 N103 C104 C105	C63-L101 HydrophobicContact CB-CD2 4.23Å; Y97-L101 HydrophobicContact CD1-CD1 4.07Å; Y97-L101 HydrophobicContact CD2-CD1 4.11Å; Y97-L101 HydrophobicContact CE1-CD1 3.28Å; Y97-L101 HydrophobicContact CE1-CG 4.47Å; Y97-L101 HydrophobicContact CE2-CD1 3.49Å; Y97-L101 VanDerWaalsContact CE2-CD1 3.49Å; Y97-L101 HydrophobicContact CG-CD1 4.4Å; Y97-L101 WeakPolarHBondContact O-CB 3.49Å; Y97-L101 PolarHBondContact O-N 3.38Å; Y97-L101 WeakPolarHBondContact OH-CD1 3.46Å; L101-N103 VanDerWaalsContact C-N 3.29Å; L101-N103 PolarHBondContact O-N 3.29Å; L101-C104 PolarHBondContact O-N 2.84Å; L101-C105 WeakPolarHBondContact O-CB 3.45Å; L101-C105 PolarHBondContact O-N 2.95Å; L101-C105 PolarHBondContact O-SG 2.97Å
102	Y	42.7	Very low	38.8	Very low	158 Å²	158	95.6 Å²	95.6	62%	0.62	49%	0.486	S	S	*	.	H	α-helix	trans	-60.3	-38.8	174.6	-164.7	-94.3	0	0	0	112.1	K98 N106	K98-Y102 WeakPolarHBondContact O-CB 3.47Å; K98-Y102 PolarHBondContact O-N 3.24Å; Y102-N106 WeakPolarHBondContact CE1-ND2 3.43Å; Y102-N106 VanDerWaalsContact O-CB 3.29Å; Y102-N106 WeakPolarHBondContact O-CB 3.49Å; Y102-N106 PolarHBondContact O-N 3.4Å; Y102-N106 PolarHBondContact O-ND2 3.31Å
103	N	47.2	Very low	38.3	Very low	58 Å²	58	94.5 Å²	94.5	31%	0.31	49%	0.486	S	S	.	.	H	α-helix	trans	-81.9	-16.2	177.1	-72.4	-26	0	0	0	114.6	Y99 K100 L101 K107	Y99-N103 WeakPolarHBondContact CD1-ND2 3.45Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.49Å; Y99-N103 WeakPolarHBondContact O-CB 3.46Å; Y99-N103 VanDerWaalsContact O-CG 3.3Å; Y99-N103 PolarHBondContact O-N 3.12Å; Y99-N103 PolarHBondContact O-ND2 2.86Å; K100-N103 PolarHBondContact O-N 3Å; L101-N103 VanDerWaalsContact C-N 3.29Å; L101-N103 PolarHBondContact O-N 3.29Å; N103-K107 WeakPolarHBondContact O-CE 3.25Å; N103-K107 WeakPolarHBondContact O-CG 3.2Å
104	C	42.7	Very low	37.7	Very low	14 Å²	14	95.9 Å²	95.9	10%	0.095	50%	0.5	C	S	.	.	H	α-helix	trans	-81	-44.5	166.5	-74.5	0	0	0	0	109.9	R67 L77 I81 K100 L101 N106	R67-C104 PolarHBondContact NH1-O 2.82Å; L77-C104 VanDerWaalsContact CD2-SG 3.54Å; I81-C104 WeakPolarHBondContact CD1-SG 3.3Å; K100-C104 WeakPolarHBondContact O-CB 3.33Å; K100-C104 PolarHBondContact O-N 3.29Å; K100-C104 PolarHBondContact O-SG 3.3Å; L101-C104 PolarHBondContact O-N 2.84Å; C104-N106 PolarHBondContact O-N 3.4Å
105	C	37.9	Very low	37.4	Very low	32 Å²	32	103.1 Å²	103.1	22%	0.216	53%	0.532	C	S	.	.	H	α-helix	trans	-78.7	-1.7	-178	-44.8	0	0	0	0	112.9	C63 R67 L101	C63-C105 WeakPolarHBondContact CB-SG 3.48Å; C63-C105 WeakPolarHBondContact SG-CB 3.22Å; C63-C105 CovalentContact SG-SG 2.11Å; C63-C105 PolarHBondContact SG-SG 3.26Å; R67-C105 VanDerWaalsContact CZ-C 3.48Å; R67-C105 VanDerWaalsContact CZ-O 3.28Å; R67-C105 PolarHBondContact NH2-O 2.88Å; L101-C105 WeakPolarHBondContact O-CB 3.45Å; L101-C105 PolarHBondContact O-N 2.95Å; L101-C105 PolarHBondContact O-SG 2.97Å
106	N	37.1	Very low	37.3	Very low	83 Å²	83	105.4 Å²	105.4	44%	0.444	54%	0.542	S	S	.	.			trans	-138.6	107.2	168.1	-66.6	-42	0	0	0	111.1	Y102 C104	Y102-N106 WeakPolarHBondContact CE1-ND2 3.43Å; Y102-N106 VanDerWaalsContact O-CB 3.29Å; Y102-N106 WeakPolarHBondContact O-CB 3.49Å; Y102-N106 PolarHBondContact O-N 3.4Å; Y102-N106 PolarHBondContact O-ND2 3.31Å; C104-N106 PolarHBondContact O-N 3.4Å
107	K	41.6	Very low	36.6	Very low	150 Å²	150	108.5 Å²	108.5	65%	0.652	55%	0.548	S	S	*	.			trans	-138.5	121.6	164.2	-86.6	-174.6	-176.9	168.8	0	111.9	N103	N103-K107 WeakPolarHBondContact O-CE 3.25Å; N103-K107 WeakPolarHBondContact O-CG 3.2Å
108	P	25.8	Very low	36.3	Very low	115 Å²	115	115 Å²	115	75%	0.747	58%	0.577	S	S	*	*			trans	-68.6	128.5	141.2	7.6	10.2	0	0	0	108
109	T	26.9	Very low	36.2	Very low	130 Å²	130	115.4 Å²	115.4	80%	0.798	58%	0.579	S	S	*	*	S	Bend	trans	5.2	125.6	153.2	48	0	0	0	0	119
110	A	23.9	Very low	35.8	Very low	88 Å²	88	112.3 Å²	112.3	73%	0.727	58%	0.578	S	S	*	*	S	Bend	trans	38.2	110.8	141.9	0	0	0	0	0	119.7
111	N	27.1	Very low	35.2	Very low	158 Å²	158	112.6 Å²	112.6	85%	0.845	58%	0.583	S	S	*	*			trans	147.3	-0.5	133.3	-86.8	-21.7	0	0	0	118.1
112	L	27.3	Very low	35.2	Very low	173 Å²	173	114.4 Å²	114.4	91%	0.906	60%	0.597	S	S	*	*	S	Bend	trans	-108.1	4.5	-165.1	-94.7	142.5	0	0	0	119.4
113	C	26.9	Very low	35.6	Very low	94 Å²	94	109.9 Å²	109.9	64%	0.635	58%	0.583	S	S	*	*			trans	-127	5.5	-169.4	-86.7	0	0	0	0	118.7	K115 Y117	C113-K115 PolarHBondContact O-N 3.48Å; C113-Y117 WeakPolarHBondContact O-CB 3.42Å; C113-Y117 PolarHBondContact O-N 3.35Å
114	T	30.2	Very low	35.3	Very low	107 Å²	107	113 Å²	113	66%	0.656	59%	0.594	S	S	*	*	H	α-helix	trans	-73.4	-28.7	-173.1	49.9	0	0	0	0	114.9	K118	T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 WeakPolarHBondContact O-CG 3.37Å; T114-K118 PolarHBondContact O-N 3.36Å
115	K	31.7	Very low	35.3	Very low	190 Å²	190	117.9 Å²	117.9	83%	0.826	62%	0.616	S	S	*	*	H	α-helix	trans	-80.6	-43.4	-178.8	-82.5	-177.3	176.6	177.5	0	114.2	C113 K119	C113-K115 PolarHBondContact O-N 3.48Å; K115-K119 PolarHBondContact O-N 3.03Å
116	K	35.3	Very low	36.2	Very low	185 Å²	185	121.1 Å²	121.1	80%	0.804	63%	0.628	S	S	*	*	H	α-helix	trans	-72.1	-34.5	177.9	-81.4	-175.9	176.9	178.3	0	112.2	K119 C120	K116-K119 PolarHBondContact O-N 2.98Å; K116-C120 WeakPolarHBondContact O-CB 3.49Å; K116-C120 PolarHBondContact O-N 3.15Å
117	Y	33.7	Very low	37	Very low	152 Å²	152	125.3 Å²	125.3	60%	0.596	64%	0.637	S	S	*	*	H	α-helix	trans	-67.4	-43.8	177.2	-170	-99.4	0	0	0	112.5	C113 K119 C120 L121	C113-Y117 WeakPolarHBondContact O-CB 3.42Å; C113-Y117 PolarHBondContact O-N 3.35Å; Y117-K119 VanDerWaalsContact C-N 3.32Å; Y117-K119 PolarHBondContact O-N 3.36Å; Y117-C120 PolarHBondContact O-N 2.81Å; Y117-L121 HydrophobicContact CE1-CD1 3.87Å; Y117-L121 PolarHBondContact O-N 3.05Å
118	K	36.5	Very low	37.2	Very low	159 Å²	159	122.4 Å²	122.4	69%	0.691	63%	0.626	S	S	*	*	H	α-helix	trans	-58.8	-41.3	175.2	-81.1	-177.3	176	-174	0	112.6	T114 L121 S122	T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 WeakPolarHBondContact O-CG 3.37Å; T114-K118 PolarHBondContact O-N 3.36Å; K118-L121 PolarHBondContact O-N 3.02Å; K118-S122 PolarHBondContact O-N 3.11Å; K118-S122 PolarHBondContact O-OG 3.38Å
119	K	42.7	Very low	38.1	Very low	141 Å²	141	123.1 Å²	123.1	61%	0.613	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-40.2	176.7	-168.2	173.1	-178.4	176.2	0	112.4	K115 K116 Y117 S122 D123	K115-K119 PolarHBondContact O-N 3.03Å; K116-K119 PolarHBondContact O-N 2.98Å; Y117-K119 VanDerWaalsContact C-N 3.32Å; Y117-K119 PolarHBondContact O-N 3.36Å; K119-S122 WeakPolarHBondContact CA-OG 3.16Å; K119-S122 PolarHBondContact O-N 3.48Å; K119-S122 PolarHBondContact O-OG 3.28Å; K119-D123 WeakPolarHBondContact O-CB 3.27Å; K119-D123 PolarHBondContact O-N 3.41Å
120	C	39.4	Very low	39.7	Very low	87 Å²	87	124.6 Å²	124.6	59%	0.588	61%	0.61	S	S	*	*	H	α-helix	trans	-66.8	-37.7	177.5	-153.7	0	0	0	0	112	K116 Y117 F124	K116-C120 WeakPolarHBondContact O-CB 3.49Å; K116-C120 PolarHBondContact O-N 3.15Å; Y117-C120 PolarHBondContact O-N 2.81Å; C120-F124 WeakPolarHBondContact O-CB 3.23Å; C120-F124 PolarHBondContact O-N 3.28Å
121	L	37.4	Very low	41.2	Very low	79 Å²	79	125.8 Å²	125.8	41%	0.414	60%	0.601	S	S	.	*	H	α-helix	trans	-66.9	-42.1	175.5	-141.2	93	0	0	0	112.2	Y117 K118 F124 Q125	Y117-L121 HydrophobicContact CE1-CD1 3.87Å; Y117-L121 PolarHBondContact O-N 3.05Å; K118-L121 PolarHBondContact O-N 3.02Å; L121-F124 PolarHBondContact O-N 2.92Å; L121-Q125 WeakPolarHBondContact O-CG 3.06Å; L121-Q125 PolarHBondContact O-N 3.45Å
122	S	45	Very low	41.8	Very low	50 Å²	50	124.1 Å²	124.1	35%	0.35	59%	0.589	S	S	.	*	H	α-helix	trans	-64.9	-40.4	176.6	61.3	0	0	0	0	112.2	K118 K119 F124 Q125 Q126	K118-S122 PolarHBondContact O-N 3.11Å; K118-S122 PolarHBondContact O-OG 3.38Å; K119-S122 WeakPolarHBondContact CA-OG 3.16Å; K119-S122 PolarHBondContact O-N 3.48Å; K119-S122 PolarHBondContact O-OG 3.28Å; S122-F124 VanDerWaalsContact C-N 3.34Å; S122-F124 PolarHBondContact O-N 3.12Å; S122-Q125 PolarHBondContact O-N 3.02Å; S122-Q126 PolarHBondContact O-N 3.42Å
123	D	51.7	Low	42.7	Very low	63 Å²	63	120.7 Å²	120.7	34%	0.337	57%	0.571	S	S	.	*	H	α-helix	trans	-67	-36.1	178.3	-69.2	-10.4	0	0	0	111.5	K119 R127	K119-D123 WeakPolarHBondContact O-CB 3.27Å; K119-D123 PolarHBondContact O-N 3.41Å; D123-R127 VanDerWaalsContact O-CG 3.28Å; D123-R127 WeakPolarHBondContact O-CG 3.29Å; D123-R127 PolarHBondContact O-N 3.28Å; D123-R127 VanDerWaalsContact O-N 3.15Å
124	F	40.3	Very low	43.9	Very low	122 Å²	122	124.8 Å²	124.8	54%	0.535	57%	0.573	S	S	.	*	H	α-helix	trans	-68	-45.1	175.7	-176.6	-98.9	0	0	0	112.4	C120 L121 S122 Q126 R127 Q128	C120-F124 WeakPolarHBondContact O-CB 3.23Å; C120-F124 PolarHBondContact O-N 3.28Å; L121-F124 PolarHBondContact O-N 2.92Å; S122-F124 VanDerWaalsContact C-N 3.34Å; S122-F124 PolarHBondContact O-N 3.12Å; F124-Q126 PolarHBondContact O-N 3.12Å; F124-R127 PolarHBondContact O-N 3.24Å; F124-Q128 HydrophobicContact CD1-CG 4.21Å; F124-Q128 HydrophobicContact CE1-CG 3.87Å; F124-Q128 HydrophobicContact CZ-CG 4.14Å; F124-Q128 PolarHBondContact O-N 3.34Å
125	Q	42.2	Very low	44.8	Very low	118 Å²	118	127 Å²	127	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-61.6	-41.6	176.6	-74.4	178.3	-22.9	0	0	112	L121 S122 R127 Q128 Q129	L121-Q125 WeakPolarHBondContact O-CG 3.06Å; L121-Q125 PolarHBondContact O-N 3.45Å; S122-Q125 PolarHBondContact O-N 3.02Å; Q125-R127 VanDerWaalsContact C-N 3.34Å; Q125-R127 PolarHBondContact O-N 2.89Å; Q125-Q128 PolarHBondContact O-N 3.2Å; Q125-Q129 PolarHBondContact O-N 3.3Å
126	Q	56.6	Low	45.3	Very low	99 Å²	99	122.6 Å²	122.6	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-62.9	-37.7	174.1	-79.9	-170.5	0.6	0	0	112.7	S122 F124 R130	S122-Q126 PolarHBondContact O-N 3.42Å; F124-Q126 PolarHBondContact O-N 3.12Å; Q126-R130 VanDerWaalsContact O-CG 3.28Å; Q126-R130 WeakPolarHBondContact O-CG 3.49Å; Q126-R130 PolarHBondContact O-N 3.25Å
127	R	54.6	Low	45.8	Very low	171 Å²	171	123.3 Å²	123.3	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-68.5	-41.4	177.5	-73	174.7	-165.2	-169.1	4.9	112.2	D123 F124 Q125 R130 Q131	D123-R127 VanDerWaalsContact O-CG 3.28Å; D123-R127 WeakPolarHBondContact O-CG 3.29Å; D123-R127 PolarHBondContact O-N 3.28Å; D123-R127 VanDerWaalsContact O-N 3.15Å; F124-R127 PolarHBondContact O-N 3.24Å; Q125-R127 VanDerWaalsContact C-N 3.34Å; Q125-R127 PolarHBondContact O-N 2.89Å; R127-R130 PolarHBondContact O-N 2.73Å; R127-Q131 WeakPolarHBondContact O-CG 2.9Å; R127-Q131 PolarHBondContact O-N 2.9Å
128	Q	45.8	Very low	46.7	Very low	90 Å²	90	122.8 Å²	122.8	42%	0.421	56%	0.563	S	S	.	*	H	α-helix	trans	-60.8	-47.1	174.9	-76.4	-89.4	-10.2	0	0	111.6	F124 Q125 R130 Q131 M132	F124-Q128 HydrophobicContact CD1-CG 4.21Å; F124-Q128 HydrophobicContact CE1-CG 3.87Å; F124-Q128 HydrophobicContact CZ-CG 4.14Å; F124-Q128 PolarHBondContact O-N 3.34Å; Q125-Q128 PolarHBondContact O-N 3.2Å; Q128-R130 PolarHBondContact O-N 2.97Å; Q128-Q131 PolarHBondContact O-N 3.15Å; Q128-M132 PolarHBondContact O-N 2.97Å
129	Q	44.5	Very low	46.9	Very low	130 Å²	130	118.8 Å²	118.8	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-60	-45	175.3	-85.7	-177.4	-16.7	0	0	112.4	Q125 Q131 M132 I133	Q125-Q129 PolarHBondContact O-N 3.3Å; Q129-Q131 VanDerWaalsContact C-N 3.29Å; Q129-Q131 PolarHBondContact O-N 3.32Å; Q129-M132 PolarHBondContact O-N 2.85Å; Q129-I133 VanDerWaalsContact O-CG1 3.27Å; Q129-I133 WeakPolarHBondContact O-CG1 3.29Å; Q129-I133 PolarHBondContact O-N 2.88Å
130	R	61.7	Low	46.7	Very low	161 Å²	161	117.7 Å²	117.7	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-63.4	-33.7	177.5	-71.9	176.2	-169.9	-168.3	5.4	112.7	Q126 R127 Q128 R134	Q126-R130 VanDerWaalsContact O-CG 3.28Å; Q126-R130 WeakPolarHBondContact O-CG 3.49Å; Q126-R130 PolarHBondContact O-N 3.25Å; R127-R130 PolarHBondContact O-N 2.73Å; Q128-R130 PolarHBondContact O-N 2.97Å; R130-R134 WeakPolarHBondContact O-CG 3.34Å; R130-R134 PolarHBondContact O-N 3.33Å; R130-R134 VanDerWaalsContact O-N 3.08Å
131	Q	53.5	Low	46.8	Very low	113 Å²	113	121 Å²	121	53%	0.528	57%	0.568	S	S	.	*	H	α-helix	trans	-72.3	-40.4	175.6	-75.1	-176.9	4.2	0	0	112.6	R127 Q128 Q129 R134 K135	R127-Q131 WeakPolarHBondContact O-CG 2.9Å; R127-Q131 PolarHBondContact O-N 2.9Å; Q128-Q131 PolarHBondContact O-N 3.15Å; Q129-Q131 VanDerWaalsContact C-N 3.29Å; Q129-Q131 PolarHBondContact O-N 3.32Å; Q131-R134 PolarHBondContact O-N 2.76Å; Q131-K135 WeakPolarHBondContact O-CG 3.33Å; Q131-K135 PolarHBondContact O-N 3.25Å
132	M	40.2	Very low	46.6	Very low	122 Å²	122	125.7 Å²	125.7	60%	0.601	59%	0.588	S	S	*	*	H	α-helix	trans	-61	-47.4	171.7	-85.4	-163.8	-168.7	0	0	111.4	Q128 Q129 R134 K135 I136	Q128-M132 PolarHBondContact O-N 2.97Å; Q129-M132 PolarHBondContact O-N 2.85Å; M132-R134 VanDerWaalsContact C-N 3.29Å; M132-R134 PolarHBondContact O-N 3.25Å; M132-K135 PolarHBondContact O-N 3.09Å; M132-K135 VanDerWaalsContact O-N 3.12Å; M132-I136 VanDerWaalsContact O-CG1 3.28Å; M132-I136 WeakPolarHBondContact O-CG1 3.31Å; M132-I136 PolarHBondContact O-N 3.08Å
133	I	47	Very low	45.8	Very low	102 Å²	102	130.4 Å²	130.4	52%	0.523	61%	0.607	S	S	.	*	H	α-helix	trans	-59.5	-40.4	178.6	-67.4	165.5	0	0	0	110.8	Q129 I136 R137	Q129-I133 VanDerWaalsContact O-CG1 3.27Å; Q129-I133 WeakPolarHBondContact O-CG1 3.29Å; Q129-I133 PolarHBondContact O-N 2.88Å; I133-I136 PolarHBondContact O-N 3.06Å; I133-R137 WeakPolarHBondContact O-CB 3.28Å; I133-R137 PolarHBondContact O-N 3.37Å
134	R	52	Low	44.6	Very low	179 Å²	179	135.7 Å²	135.7	68%	0.675	63%	0.63	S	S	*	*	H	α-helix	trans	-66.3	-39.5	174.9	-77.7	177.8	179.6	176.9	-1	113.2	R130 Q131 M132 R137 N138	R130-R134 WeakPolarHBondContact O-CG 3.34Å; R130-R134 PolarHBondContact O-N 3.33Å; R130-R134 VanDerWaalsContact O-N 3.08Å; Q131-R134 PolarHBondContact O-N 2.76Å; M132-R134 VanDerWaalsContact C-N 3.29Å; M132-R134 PolarHBondContact O-N 3.25Å; R134-R137 PolarHBondContact O-N 3.46Å; R134-N138 WeakPolarHBondContact O-CB 3.49Å; R134-N138 VanDerWaalsContact O-CG 3.23Å; R134-N138 PolarHBondContact O-N 2.9Å
135	K	48	Very low	44	Very low	154 Å²	154	142 Å²	142	67%	0.67	65%	0.65	S	S	*	*	H	α-helix	trans	-64.4	-43.1	175.6	-76	-178.8	177.4	-176	0	111.4	Q131 M132 N138 S139	Q131-K135 WeakPolarHBondContact O-CG 3.33Å; Q131-K135 PolarHBondContact O-N 3.25Å; M132-K135 PolarHBondContact O-N 3.09Å; M132-K135 VanDerWaalsContact O-N 3.12Å; K135-N138 PolarHBondContact O-N 3.38Å; K135-S139 WeakPolarHBondContact O-CB 3.48Å; K135-S139 PolarHBondContact O-N 3.4Å; K135-S139 VanDerWaalsContact O-N 3.07Å; K135-S139 PolarHBondContact O-OG 3.45Å
136	I	43.5	Very low	43.3	Very low	98 Å²	98	146 Å²	146	50%	0.503	67%	0.666	S	S	.	*	H	α-helix	trans	-65	-41.5	176.3	-65	164.3	0	0	0	111.1	M132 I133 N138 S139 N140	M132-I136 VanDerWaalsContact O-CG1 3.28Å; M132-I136 WeakPolarHBondContact O-CG1 3.31Å; M132-I136 PolarHBondContact O-N 3.08Å; I133-I136 PolarHBondContact O-N 3.06Å; I136-N138 VanDerWaalsContact C-N 3.32Å; I136-N138 PolarHBondContact O-N 3.36Å; I136-S139 WeakPolarHBondContact CA-OG 3.36Å; I136-S139 PolarHBondContact O-N 3.39Å; I136-S139 PolarHBondContact O-OG 2.93Å; I136-N140 VanDerWaalsContact O-CG 3.29Å; I136-N140 PolarHBondContact O-OD1 3.49Å
137	R	46.1	Very low	41.8	Very low	200 Å²	200	146.2 Å²	146.2	76%	0.755	68%	0.676	S	S	*	*	H	α-helix	trans	-67.6	-32	179	-141.2	178.2	-155.6	-179	5	112.9	I133 R134	I133-R137 WeakPolarHBondContact O-CB 3.28Å; I133-R137 PolarHBondContact O-N 3.37Å; R134-R137 PolarHBondContact O-N 3.46Å
138	N	50.9	Low	40.3	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	68%	0.683	S	S	*	*	H	α-helix	trans	-85.1	-16.9	178.9	-69.3	-1.3	0	0	0	113.1	R134 K135 I136	R134-N138 WeakPolarHBondContact O-CB 3.49Å; R134-N138 VanDerWaalsContact O-CG 3.23Å; R134-N138 PolarHBondContact O-N 2.9Å; K135-N138 PolarHBondContact O-N 3.38Å; I136-N138 VanDerWaalsContact C-N 3.32Å; I136-N138 PolarHBondContact O-N 3.36Å
139	S	42	Very low	39.1	Very low	75 Å²	75	150 Å²	150	52%	0.524	70%	0.701	S	S	.	*	S	Bend	trans	-90.5	-0.9	177.5	57.1	0	0	0	0	114.1	K135 I136 N141	K135-S139 WeakPolarHBondContact O-CB 3.48Å; K135-S139 PolarHBondContact O-N 3.4Å; K135-S139 VanDerWaalsContact O-N 3.07Å; K135-S139 PolarHBondContact O-OG 3.45Å; I136-S139 WeakPolarHBondContact CA-OG 3.36Å; I136-S139 PolarHBondContact O-N 3.39Å; I136-S139 PolarHBondContact O-OG 2.93Å; S139-N141 PolarHBondContact O-N 2.95Å
140	N	38.5	Very low	38	Very low	119 Å²	119	153.7 Å²	153.7	64%	0.636	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	10.9	-175.2	-79.3	-8.1	0	0	0	115.3	I136	I136-N140 VanDerWaalsContact O-CG 3.29Å; I136-N140 PolarHBondContact O-OD1 3.49Å
141	N	41.4	Very low	36.1	Very low	156 Å²	156	153.5 Å²	153.5	83%	0.834	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-2.1	179	-86.4	0.4	0	0	0	115.5	S139	S139-N141 PolarHBondContact O-N 2.95Å
142	E	33.6	Very low	34.6	Very low	177 Å²	177	156 Å²	156	83%	0.827	74%	0.743	S	S	*	*	S	Bend	trans	-138.8	90.9	179.9	-72.1	-177	165.8	0	0	112.3
143	I	28.6	Very low	33.9	Very low	149 Å²	149	158.1 Å²	158.1	76%	0.764	75%	0.751	S	S	*	*			trans	40.5	106.3	132.8	-54.8	176	0	0	0	118
144	Q	25.8	Very low	32.7	Very low	174 Å²	174	160.4 Å²	160.4	81%	0.813	76%	0.762	S	S	*	*				28.3	115.2	127.9	-60.4	176.9	-5.6	0	0	118.8
145	R	27	Very low	31.3	Very low	254 Å²	254	161.5 Å²	161.5	96%	0.958	77%	0.773	S	S	*	*			trans	-171.6	123.9	134.2	-98.3	157.8	-165.9	-157.8	5.3	110.5
146	K	27.6	Very low	30.1	Very low	202 Å²	202	162.8 Å²	162.8	88%	0.878	78%	0.778	S	S	*	*			trans	-61.9	164.6	166	-80.6	179.8	175.9	-179.8	0	110.3
147	P	25.1	Very low	29.2	Very low	104 Å²	104	163.3 Å²	163.3	68%	0.675	79%	0.788	S	S	*	*			cis	-151.1	170	39	38.5	-14.6	0	0	0	119.4
148	E	23.4	Very low	28.1	Very low	169 Å²	169	162.6 Å²	162.6	79%	0.79	79%	0.793	S	S	*	*			trans	64.3	116	140.2	-72.2	162.5	-161.9	0	0	125.1
149	Q	21.5	Very low	26.7	Very low	171 Å²	171	161.4 Å²	161.4	80%	0.799	80%	0.796	S	S	*	*			trans	58	104.2	133.5	-65.7	-177.5	-4.4	0	0	120.8
150	F	21.2	Very low	25.9	Very low	208 Å²	208	165.9 Å²	165.9	91%	0.912	81%	0.813	S	S	*	*				-150.9	105.3	130	-96.6	-78.6	0	0	0	108.9
151	N	21.8	Very low	25.1	Very low	158 Å²	158	168.9 Å²	168.9	85%	0.845	82%	0.823	S	S	*	*			trans	-84.5	120	169.5	-88.6	-26.7	0	0	0	108.8
152	L	22.3	Very low	24.4	Very low	165 Å²	165	171.8 Å²	171.8	86%	0.864	82%	0.824	S	S	*	*			trans	-129.5	122.1	159.9	-96.7	159.8	0	0	0	109
153	H	24.9	Very low	23.8	Very low	166 Å²	166	168 Å²	168	77%	0.769	82%	0.817	S	S	*	*			trans	-58.1	138.9	-162.1	-77.3	-92.3	0	0	0	115.5	F155	H153-F155 PolarHBondContact O-N 3.24Å
154	I	21.6	Very low	23.6	Very low	150 Å²	150	169.4 Å²	169.4	77%	0.769	82%	0.818	S	S	*	*			trans	-54.3	121.4	157.2	-62.3	158.7	0	0	0	108.9	K156	I154-K156 HydrophobicContact CG2-CG 4.24Å
155	F	22.9	Very low	23.6	Very low	203 Å²	203	171.5 Å²	171.5	89%	0.89	83%	0.825	S	S	*	*			trans	-111.1	110.9	155.9	-100.8	-84	0	0	0	109.2	H153	H153-F155 PolarHBondContact O-N 3.24Å
156	K	23.2	Very low	23.5	Very low	181 Å²	181	166.3 Å²	166.3	79%	0.787	82%	0.816	S	S	*	*			trans	-67.6	151.4	171.5	-80.7	179.4	174.5	179.1	0	110.5	I154	I154-K156 HydrophobicContact CG2-CG 4.24Å
157	P	23.8	Very low	23.4	Very low	109 Å²	109	166.3 Å²	166.3	71%	0.708	82%	0.816	S	S	*	*			trans	-78.7	132.5	172.3	33.5	-28.8	0	0	0	109
158	E	22.4	Very low	23.3	Very low	184 Å²	184	167.6 Å²	167.6	86%	0.86	82%	0.816	S	S	*	*			trans	171.3	141.7	141.2	-93.5	154.4	-159.6	0	0	113.1
159	S	22.8	Very low	23.4	Very low	116 Å²	116	164.8 Å²	164.8	81%	0.811	81%	0.806	S	S	*	*			trans	73.7	80.7	165.2	70.8	0	0	0	0	119.5
160	L	24.8	Very low	23.7	Very low	168 Å²	168	164.4 Å²	164.4	88%	0.88	80%	0.802	S	S	*	*			trans	-92	90.9	151.7	-100.4	153.3	0	0	0	108.7
161	Q	21.2	Very low	23.9	Very low	182 Å²	182	164.4 Å²	164.4	85%	0.85	80%	0.798	S	S	*	*			trans	-86.1	90.8	150.5	-86.2	-170.3	-10.6	0	0	107.6
162	Y	26.8	Very low	24.2	Very low	217 Å²	217	164.3 Å²	164.3	85%	0.851	79%	0.79	S	S	*	*			trans	-134.7	95.1	150	-90.4	-80.4	0	0	0	107.7
163	S	21	Very low	24.3	Very low	99 Å²	99	163.7 Å²	163.7	69%	0.692	79%	0.787	S	S	*	*			trans	-65	161.3	167.3	46.8	0	0	0	0	111.2
164	K	25.2	Very low	24.4	Very low	177 Å²	177	162.1 Å²	162.1	77%	0.77	78%	0.784	S	S	*	*			trans	70	70	168.2	-59.4	179	176.5	178.7	0	117.1
165	F	25.3	Very low	24.5	Very low	219 Å²	219	160 Å²	160	96%	0.961	78%	0.78	S	S	*	*			trans	-123.1	105.2	132.2	-90.7	-84.6	0	0	0	107.4
166	N	24.6	Very low	24.8	Very low	144 Å²	144	156 Å²	156	77%	0.77	77%	0.767	S	S	*	*			trans	-57.3	142.2	179.6	-79.2	-27.6	0	0	0	110	I168	N166-I168 PolarHBondContact O-N 2.84Å
167	K	24.9	Very low	25	Very low	202 Å²	202	155 Å²	155	88%	0.878	77%	0.765	S	S	*	*			trans	-36.7	101.5	161.2	-67.5	167.5	173.1	175.7	0	110.3
168	I	24	Very low	25.4	Very low	131 Å²	131	153.9 Å²	153.9	67%	0.672	75%	0.753	S	S	*	*			trans	-98	112.1	156.9	-60.7	177.5	0	0	0	104.8	N166 F170	N166-I168 PolarHBondContact O-N 2.84Å; I168-F170 HydrophobicContact CB-CD2 3.99Å; I168-F170 HydrophobicContact CB-CE2 4.15Å; I168-F170 HydrophobicContact CG2-CD2 3.55Å; I168-F170 HydrophobicContact CG2-CE2 3.6Å; I168-F170 HydrophobicContact CG2-CG 4.47Å; I168-F170 PolarHBondContact O-N 2.76Å
169	D	25.8	Very low	26	Very low	111 Å²	111	153.7 Å²	153.7	59%	0.594	75%	0.749	S	S	*	*			trans	-62.4	70.3	175.1	-86	-25.7	0	0	0	110.5	Y171 K172	D169-Y171 PolarHBondContact O-N 2.93Å; D169-Y171 VanDerWaalsContact O-N 3.07Å; D169-K172 IonicContact OD2-NZ 3.68Å
170	F	26.9	Very low	26.8	Very low	162 Å²	162	148.6 Å²	148.6	71%	0.711	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-2.6	177.4	-100.5	-80.6	0	0	0	113.9	I168	I168-F170 HydrophobicContact CB-CD2 3.99Å; I168-F170 HydrophobicContact CB-CE2 4.15Å; I168-F170 HydrophobicContact CG2-CD2 3.55Å; I168-F170 HydrophobicContact CG2-CE2 3.6Å; I168-F170 HydrophobicContact CG2-CG 4.47Å; I168-F170 PolarHBondContact O-N 2.76Å
171	Y	26.5	Very low	27.4	Very low	209 Å²	209	146.5 Å²	146.5	82%	0.82	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-1.3	-168.9	-69.8	-79.4	0	0	0	115.4	D169	D169-Y171 PolarHBondContact O-N 2.93Å; D169-Y171 VanDerWaalsContact O-N 3.07Å
172	K	26.8	Very low	28.1	Very low	156 Å²	156	139.7 Å²	139.7	68%	0.678	67%	0.671	S	S	*	*	S	Bend	trans	-100.7	-18.3	-172.1	-80.6	-178.8	178.2	169.6	0	116.1	D169	D169-K172 IonicContact OD2-NZ 3.68Å
173	N	25.7	Very low	28.6	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	65%	0.653	S	S	*	*			trans	-130.7	16.6	-168.5	-70.6	-12.2	0	0	0	115.8	P175	N173-P175 WeakPolarHBondContact O-CD 3.33Å
174	L	25.9	Very low	29.5	Very low	134 Å²	134	133.3 Å²	133.3	70%	0.702	64%	0.638	S	S	*	*			trans	-80.9	107.9	175.1	-153.2	78	0	0	0	109.2	L176	L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 HydrophobicContact CD2-CD2 4.32Å; L174-L176 HydrophobicContact CD2-CG 4.14Å; L174-L176 PolarHBondContact O-N 2.97Å
175	P	24.9	Very low	30.3	Very low	106 Å²	106	129.3 Å²	129.3	69%	0.688	63%	0.625	S	S	*	*			trans	-74.6	93.1	170.8	6.5	14.3	0	0	0	105.4	N173 H177	N173-P175 WeakPolarHBondContact O-CD 3.33Å; P175-H177 PolarHBondContact O-N 2.77Å
176	L	27.7	Very low	31	Very low	119 Å²	119	120.6 Å²	120.6	62%	0.623	59%	0.588	S	S	*	*			trans	-68.5	72.2	168.7	-82.7	156.3	0	0	0	108.8	L174 L178	L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 HydrophobicContact CD2-CD2 4.32Å; L174-L176 HydrophobicContact CD2-CG 4.14Å; L174-L176 PolarHBondContact O-N 2.97Å; L176-L178 HydrophobicContact CD2-CD1 3.98Å
177	H	29	Very low	31.8	Very low	159 Å²	159	118.3 Å²	118.3	74%	0.736	57%	0.572	S	S	*	*			trans	-116.9	58.4	163.7	-82.6	-52.7	0	0	0	108.6	P175 K179	P175-H177 PolarHBondContact O-N 2.77Å; H177-K179 PolarHBondContact O-N 2.92Å
178	L	32	Very low	32.9	Very low	86 Å²	86	112.4 Å²	112.4	45%	0.45	55%	0.551	S	S	.	*			trans	-61.2	99	169.3	-84.5	148.4	0	0	0	109	L176 N180 F183 E325	L176-L178 HydrophobicContact CD2-CD1 3.98Å; L178-N180 VanDerWaalsContact C-N 3.27Å; L178-N180 HydrophobicContact CD2-CB 4.09Å; L178-F183 HydrophobicContact CD2-CD2 4.14Å; L178-F183 HydrophobicContact CD2-CE2 4.22Å; L178-E325 WeakPolarHBondContact CD2-OE2 3.46Å
179	K	34.3	Very low	33.9	Very low	179 Å²	179	109.2 Å²	109.2	78%	0.778	54%	0.535	S	S	*	.			trans	-97.1	37.6	169.2	-91.4	-172	175.4	-178.2	0	110.4	H177	H177-K179 PolarHBondContact O-N 2.92Å
180	N	39.2	Very low	34.6	Very low	9 Å²	9	107 Å²	107	5%	0.048	52%	0.522	C	S	.	.			trans	-89.1	116.2	-167.3	-155.7	-21.7	0	0	0	110.1	L178 S182 F183 I184 H324	L178-N180 VanDerWaalsContact C-N 3.27Å; L178-N180 HydrophobicContact CD2-CB 4.09Å; N180-S182 PolarHBondContact O-N 3.17Å; N180-S182 VanDerWaalsContact O-N 3.15Å; N180-F183 HydrophobicContact CB-CB 4.23Å; N180-F183 HydrophobicContact CB-CD2 4Å; N180-F183 CarbonylContact O-C 3.58Å; N180-F183 WeakPolarHBondContact O-CA 3.14Å; N180-F183 WeakPolarHBondContact O-CB 3.34Å; N180-F183 PolarHBondContact O-N 3Å; N180-I184 WeakPolarHBondContact O-CG1 3.41Å; N180-I184 PolarHBondContact O-N 3.01Å; N180-H324 PolarHBondContact ND2-O 3.03Å
181	E	37.6	Very low	35.4	Very low	125 Å²	125	105.4 Å²	105.4	58%	0.584	52%	0.515	S	S	*	.	H	α-helix	trans	-54.9	-34	-174.4	-81.6	-172.7	157.6	0	0	112.8	I184 N185	E181-I184 CarbonylContact O-C 3.59Å; E181-I184 PolarHBondContact O-N 2.96Å; E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.34Å; E181-N185 PolarHBondContact O-N 3.2Å; E181-N185 PolarHBondContact O-ND2 3.37Å
182	S	36.3	Very low	36.4	Very low	39 Å²	39	98.1 Å²	98.1	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-67.9	-40.2	176.3	-43.4	0	0	0	0	112.1	N180 N185 I186	N180-S182 PolarHBondContact O-N 3.17Å; N180-S182 VanDerWaalsContact O-N 3.15Å; S182-N185 PolarHBondContact O-N 3.19Å; S182-I186 WeakPolarHBondContact O-CD1 3.44Å; S182-I186 WeakPolarHBondContact O-CG1 3.3Å; S182-I186 PolarHBondContact O-N 3.33Å
183	F	38	Very low	37.2	Very low	107 Å²	107	91.4 Å²	91.4	47%	0.469	47%	0.466	S	S	.	.	H	α-helix	trans	-71.3	-36.3	172.3	-87.3	-87.5	0	0	0	111.9	L178 N180 N185 I186 H187	L178-F183 HydrophobicContact CD2-CD2 4.14Å; L178-F183 HydrophobicContact CD2-CE2 4.22Å; N180-F183 HydrophobicContact CB-CB 4.23Å; N180-F183 HydrophobicContact CB-CD2 4Å; N180-F183 CarbonylContact O-C 3.58Å; N180-F183 WeakPolarHBondContact O-CA 3.14Å; N180-F183 WeakPolarHBondContact O-CB 3.34Å; N180-F183 PolarHBondContact O-N 3Å; F183-N185 VanDerWaalsContact C-N 3.26Å; F183-I186 PolarHBondContact O-N 3.45Å; F183-H187 WeakPolarHBondContact O-CB 3.14Å; F183-H187 PolarHBondContact O-N 3.45Å
184	I	39	Very low	38	Very low	74 Å²	74	89.9 Å²	89.9	38%	0.379	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-39.4	171.1	-68.4	168.6	0	0	0	109.1	N180 E181 N188	N180-I184 WeakPolarHBondContact O-CG1 3.41Å; N180-I184 PolarHBondContact O-N 3.01Å; E181-I184 CarbonylContact O-C 3.59Å; E181-I184 PolarHBondContact O-N 2.96Å; I184-N188 VanDerWaalsContact CG2-ND2 3.26Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.47Å; I184-N188 WeakPolarHBondContact O-CA 3.35Å; I184-N188 WeakPolarHBondContact O-CB 3.32Å; I184-N188 PolarHBondContact O-N 3.03Å; I184-N188 PolarHBondContact O-ND2 3.28Å; I184-N188 PolarHBondContact O-OD1 2.97Å
185	N	42.9	Very low	38.9	Very low	94 Å²	94	88 Å²	88	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-42.5	177.4	-74.5	-20.5	0	0	0	112.1	E181 S182 F183 N188 L189	E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.34Å; E181-N185 PolarHBondContact O-N 3.2Å; E181-N185 PolarHBondContact O-ND2 3.37Å; S182-N185 PolarHBondContact O-N 3.19Å; F183-N185 VanDerWaalsContact C-N 3.26Å; N185-N188 PolarHBondContact O-N 3.02Å; N185-L189 VanDerWaalsContact O-CB 3.27Å; N185-L189 WeakPolarHBondContact O-CB 3.33Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 PolarHBondContact O-N 3.34Å
186	I	40	Very low	40.2	Very low	36 Å²	36	87.1 Å²	87.1	19%	0.185	43%	0.427	C	S	.	.	H	α-helix	trans	-67.8	-43	174.1	-67.4	152.9	0	0	0	110.9	S182 F183 N188 L189 I190 L234	S182-I186 WeakPolarHBondContact O-CD1 3.44Å; S182-I186 WeakPolarHBondContact O-CG1 3.3Å; S182-I186 PolarHBondContact O-N 3.33Å; F183-I186 PolarHBondContact O-N 3.45Å; I186-N188 VanDerWaalsContact C-N 3.34Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.46Å; I186-I190 HydrophobicContact CG2-CD1 3.64Å; I186-I190 HydrophobicContact CG2-CG1 4.33Å; I186-I190 WeakPolarHBondContact O-CB 3.01Å; I186-I190 WeakPolarHBondContact O-CD1 3.33Å; I186-I190 WeakPolarHBondContact O-CG1 3.26Å; I186-I190 PolarHBondContact O-N 2.75Å; I186-L234 HydrophobicContact CD1-CD1 3.3Å; I186-L234 HydrophobicContact CD1-CD2 3.72Å; I186-L234 HydrophobicContact CD1-CG 3.88Å; I186-L234 HydrophobicContact CG1-CD1 4.29Å
187	H	39.6	Very low	41.2	Very low	95 Å²	95	83.4 Å²	83.4	44%	0.44	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-37.3	176.9	-174.7	-92.7	0	0	0	111.1	F183 I190 K191	F183-H187 WeakPolarHBondContact O-CB 3.14Å; F183-H187 PolarHBondContact O-N 3.45Å; H187-I190 PolarHBondContact O-N 3.48Å; H187-K191 WeakPolarHBondContact O-CB 3.43Å; H187-K191 PolarHBondContact O-N 3.32Å
188	N	49	Very low	42	Very low	79 Å²	79	78.6 Å²	78.6	42%	0.422	39%	0.392	S	S	.	.	H	α-helix	trans	-69.8	-38.1	172.8	-74.1	-18.3	0	0	0	111.2	I184 N185 I186 K191 S192	I184-N188 VanDerWaalsContact CG2-ND2 3.26Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.47Å; I184-N188 WeakPolarHBondContact O-CA 3.35Å; I184-N188 WeakPolarHBondContact O-CB 3.32Å; I184-N188 PolarHBondContact O-N 3.03Å; I184-N188 PolarHBondContact O-ND2 3.28Å; I184-N188 PolarHBondContact O-OD1 2.97Å; N185-N188 PolarHBondContact O-N 3.02Å; I186-N188 VanDerWaalsContact C-N 3.34Å; N188-K191 PolarHBondContact O-N 2.71Å; N188-S192 WeakPolarHBondContact O-CB 3.34Å; N188-S192 PolarHBondContact O-N 3.44Å; N188-S192 PolarHBondContact O-OG 2.83Å
189	L	44.3	Very low	43.3	Very low	64 Å²	64	80.6 Å²	80.6	34%	0.335	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-52.2	170.4	-112.5	104.9	0	0	0	109.2	N185 I186 K191 S192 N193 L227	N185-L189 VanDerWaalsContact O-CB 3.27Å; N185-L189 WeakPolarHBondContact O-CB 3.33Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 PolarHBondContact O-N 3.34Å; I186-L189 WeakPolarHBondContact O-CB 3.44Å; I186-L189 PolarHBondContact O-N 3.46Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 2.93Å; L189-S192 WeakPolarHBondContact CA-OG 3.34Å; L189-S192 PolarHBondContact O-N 2.69Å; L189-S192 PolarHBondContact O-OG 2.95Å; L189-N193 WeakPolarHBondContact O-CA 3.49Å; L189-N193 WeakPolarHBondContact O-CB 3.16Å; L189-N193 PolarHBondContact O-N 2.91Å; L189-N193 PolarHBondContact O-ND2 2.94Å; L189-L227 HydrophobicContact CD2-CD2 4.35Å
190	I	41.8	Very low	44.5	Very low	65 Å²	65	73.2 Å²	73.2	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-39.8	179.3	-68.5	166.1	0	0	0	111	I186 H187 N193 R194	I186-I190 HydrophobicContact CG2-CD1 3.64Å; I186-I190 HydrophobicContact CG2-CG1 4.33Å; I186-I190 WeakPolarHBondContact O-CB 3.01Å; I186-I190 WeakPolarHBondContact O-CD1 3.33Å; I186-I190 WeakPolarHBondContact O-CG1 3.26Å; I186-I190 PolarHBondContact O-N 2.75Å; H187-I190 PolarHBondContact O-N 3.48Å; I190-N193 CarbonylContact O-C 3.58Å; I190-R194 WeakPolarHBondContact O-CB 3.5Å; I190-R194 WeakPolarHBondContact O-CG 3.27Å; I190-R194 PolarHBondContact O-N 3.43Å
191	K	43.3	Very low	45.1	Very low	128 Å²	128	74.4 Å²	74.4	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-73.7	-42.6	-178.7	-170	177.9	-179.7	-174.8	0	112	H187 N188 L189 N193 R194	H187-K191 WeakPolarHBondContact O-CB 3.43Å; H187-K191 PolarHBondContact O-N 3.32Å; N188-K191 PolarHBondContact O-N 2.71Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 2.93Å; K191-N193 VanDerWaalsContact C-N 3.34Å; K191-R194 PolarHBondContact O-N 2.92Å
192	S	46.4	Very low	45.9	Very low	56 Å²	56	72.8 Å²	72.8	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-42.4	171.1	59.2	0	0	0	0	110.4	N188 L189 R194 I195 I196	N188-S192 WeakPolarHBondContact O-CB 3.34Å; N188-S192 PolarHBondContact O-N 3.44Å; N188-S192 PolarHBondContact O-OG 2.83Å; L189-S192 WeakPolarHBondContact CA-OG 3.34Å; L189-S192 PolarHBondContact O-N 2.69Å; L189-S192 PolarHBondContact O-OG 2.95Å; S192-R194 PolarHBondContact O-N 2.97Å; S192-I195 PolarHBondContact O-N 3.46Å; S192-I196 WeakPolarHBondContact O-CG1 3.33Å; S192-I196 PolarHBondContact O-N 2.77Å; S192-I196 VanDerWaalsContact O-N 3.11Å
193	N	45.5	Very low	46.8	Very low	15 Å²	15	75.2 Å²	75.2	8%	0.08	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-26.9	177.8	-67.8	-32.9	0	0	0	113.2	L189 I190 K191 I195 I196 L197 L223	L189-N193 WeakPolarHBondContact O-CA 3.49Å; L189-N193 WeakPolarHBondContact O-CB 3.16Å; L189-N193 PolarHBondContact O-N 2.91Å; L189-N193 PolarHBondContact O-ND2 2.94Å; I190-N193 CarbonylContact O-C 3.58Å; K191-N193 VanDerWaalsContact C-N 3.34Å; N193-I195 VanDerWaalsContact C-N 3.34Å; N193-I195 PolarHBondContact O-N 3.04Å; N193-I196 CarbonylContact O-C 3.57Å; N193-I196 PolarHBondContact O-N 3.45Å; N193-I196 WeakPolarHBondContact OD1-CD1 3.42Å; N193-L197 WeakPolarHBondContact O-CB 3.41Å; N193-L197 WeakPolarHBondContact O-CD1 3.48Å; N193-L197 WeakPolarHBondContact O-CG 3.08Å; N193-L197 PolarHBondContact O-N 2.79Å; N193-L223 HydrophobicContact CB-CD1 4.09Å; N193-L223 VanDerWaalsContact ND2-CD1 3.33Å; N193-L223 WeakPolarHBondContact ND2-CD1 3.36Å; N193-L223 WeakPolarHBondContact OD1-CD1 3.48Å
194	R	41.4	Very low	47.5	Very low	119 Å²	119	71.2 Å²	71.2	45%	0.449	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-40.8	170.9	-90.2	-177.5	176.6	-176.8	0.3	112.1	H62 I190 K191 S192 I196 S198	H62-R194 PolarHBondContact CD2-NH2 2.77Å; H62-R194 PolarHBondContact NE2-NH2 2.98Å; I190-R194 WeakPolarHBondContact O-CB 3.5Å; I190-R194 WeakPolarHBondContact O-CG 3.27Å; I190-R194 PolarHBondContact O-N 3.43Å; K191-R194 PolarHBondContact O-N 2.92Å; S192-R194 PolarHBondContact O-N 2.97Å; R194-I196 VanDerWaalsContact C-N 3.34Å; R194-S198 WeakPolarHBondContact O-CB 3.46Å; R194-S198 PolarHBondContact O-N 2.92Å; R194-S198 PolarHBondContact O-OG 2.87Å
195	I	44.4	Very low	47.9	Very low	95 Å²	95	70.9 Å²	70.9	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-68.6	-39.4	175.5	-62.1	173.5	0	0	0	109.5	S192 N193 S198 K199	S192-I195 PolarHBondContact O-N 3.46Å; N193-I195 VanDerWaalsContact C-N 3.34Å; N193-I195 PolarHBondContact O-N 3.04Å; I195-S198 PolarHBondContact O-OG 3.33Å; I195-K199 HydrophobicContact CG2-CD 4.11Å; I195-K199 VanDerWaalsContact O-CB 3.32Å; I195-K199 WeakPolarHBondContact O-CB 3.38Å; I195-K199 VanDerWaalsContact O-CG 3.26Å; I195-K199 WeakPolarHBondContact O-CG 3.47Å; I195-K199 PolarHBondContact O-N 3.32Å
196	I	52.1	Low	48.3	Very low	86 Å²	86	75.6 Å²	75.6	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-46.5	177.4	-64.6	162.5	0	0	0	111.1	S192 N193 R194 K199 W200	S192-I196 WeakPolarHBondContact O-CG1 3.33Å; S192-I196 PolarHBondContact O-N 2.77Å; S192-I196 VanDerWaalsContact O-N 3.11Å; N193-I196 CarbonylContact O-C 3.57Å; N193-I196 PolarHBondContact O-N 3.45Å; N193-I196 WeakPolarHBondContact OD1-CD1 3.42Å; R194-I196 VanDerWaalsContact C-N 3.34Å; I196-K199 PolarHBondContact O-N 2.93Å; I196-W200 WeakPolarHBondContact O-CA 3.31Å; I196-W200 WeakPolarHBondContact O-CB 3.48Å; I196-W200 PolarHBondContact O-N 2.86Å
197	L	48.4	Very low	48.9	Very low	42 Å²	42	74.7 Å²	74.7	22%	0.22	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-46.2	177.6	-89.6	149.8	0	0	0	112.2	N193 W200 L201 F220 L223	N193-L197 WeakPolarHBondContact O-CB 3.41Å; N193-L197 WeakPolarHBondContact O-CD1 3.48Å; N193-L197 WeakPolarHBondContact O-CG 3.08Å; N193-L197 PolarHBondContact O-N 2.79Å; L197-W200 PolarHBondContact O-N 3.47Å; L197-L201 WeakPolarHBondContact O-CB 3.29Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 3.3Å; L197-F220 HydrophobicContact CD2-CD2 4.29Å; L197-F220 HydrophobicContact CD2-CE2 3.55Å; L197-F220 HydrophobicContact CD2-CZ 4.39Å; L197-L223 HydrophobicContact CG-CD2 4.2Å
198	S	47.2	Very low	49.5	Very low	57 Å²	57	76.7 Å²	76.7	40%	0.399	39%	0.388	S	S	.	.	H	α-helix	trans	-66.3	-42.5	177.3	53.7	0	0	0	0	111.9	R194 I195 W200 N202	R194-S198 WeakPolarHBondContact O-CB 3.46Å; R194-S198 PolarHBondContact O-N 2.92Å; R194-S198 PolarHBondContact O-OG 2.87Å; I195-S198 PolarHBondContact O-OG 3.33Å; S198-W200 VanDerWaalsContact C-N 3.34Å; S198-N202 WeakPolarHBondContact O-CB 3.42Å; S198-N202 PolarHBondContact O-N 2.88Å; S198-N202 PolarHBondContact O-ND2 3.06Å
199	K	57.9	Low	50.2	Low	128 Å²	128	77.1 Å²	77.1	56%	0.557	39%	0.391	S	S	*	.	H	α-helix	trans	-62.3	-41.5	172	-76.5	178.8	179	-178.5	0	112	I195 I196 N202 Q203	I195-K199 HydrophobicContact CG2-CD 4.11Å; I195-K199 VanDerWaalsContact O-CB 3.32Å; I195-K199 WeakPolarHBondContact O-CB 3.38Å; I195-K199 VanDerWaalsContact O-CG 3.26Å; I195-K199 WeakPolarHBondContact O-CG 3.47Å; I195-K199 PolarHBondContact O-N 3.32Å; I196-K199 PolarHBondContact O-N 2.93Å; K199-N202 PolarHBondContact O-N 3.38Å; K199-Q203 WeakPolarHBondContact O-CB 3.06Å; K199-Q203 VanDerWaalsContact O-CG 3.29Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 2.74Å
200	W	60	Low	50.5	Low	24 Å²	24	78.3 Å²	78.3	9%	0.091	40%	0.397	C	S	.	.	H	α-helix	trans	-64.2	-47.5	178.9	179.3	92.5	0	0	0	111.5	I196 L197 S198 N202 Q203 L204 L216 F220	I196-W200 WeakPolarHBondContact O-CA 3.31Å; I196-W200 WeakPolarHBondContact O-CB 3.48Å; I196-W200 PolarHBondContact O-N 2.86Å; L197-W200 PolarHBondContact O-N 3.47Å; S198-W200 VanDerWaalsContact C-N 3.34Å; W200-N202 VanDerWaalsContact C-N 3.3Å; W200-N202 PolarHBondContact O-N 2.76Å; W200-Q203 PolarHBondContact O-N 3.45Å; W200-Q203 VanDerWaalsContact O-N 3.15Å; W200-L204 HydrophobicContact CH2-CD2 3.59Å; W200-L204 HydrophobicContact CH2-CG 4.49Å; W200-L204 HydrophobicContact CZ2-CD1 4.3Å; W200-L204 HydrophobicContact CZ2-CD2 4.15Å; W200-L204 HydrophobicContact CZ3-CD2 3.89Å; W200-L204 WeakPolarHBondContact O-CB 3.14Å; W200-L204 PolarHBondContact O-N 3.14Å; W200-L216 VanDerWaalsContact NE1-C 3.3Å; W200-L216 PolarHBondContact NE1-O 3.33Å; W200-F220 HydrophobicContact CD2-CB 4.38Å; W200-F220 HydrophobicContact CD2-CD2 4.46Å; W200-F220 HydrophobicContact CD2-CG 4.48Å; W200-F220 AromaticContact CE2-CG 4Å; W200-F220 HydrophobicContact CH2-CB 4.29Å; W200-F220 AromaticContact CH2-CD1 3.9Å; W200-F220 HydrophobicContact CH2-CD1 3.9Å; W200-F220 HydrophobicContact CH2-CE1 4.36Å; W200-F220 AromaticContact CH2-CG 4Å; W200-F220 HydrophobicContact CH2-CG 4Å; W200-F220 HydrophobicContact CZ2-CB 3.55Å; W200-F220 AromaticContact CZ2-CD1 3.99Å; W200-F220 HydrophobicContact CZ2-CD1 3.99Å; W200-F220 HydrophobicContact CZ2-CD2 4.49Å; W200-F220 AromaticContact CZ2-CG 3.77Å; W200-F220 HydrophobicContact CZ2-CG 3.77Å; W200-F220 HydrophobicContact CZ3-CG 4.46Å
201	L	52.5	Low	51.2	Low	35 Å²	35	79.5 Å²	79.5	18%	0.183	41%	0.408	C	S	.	.	H	α-helix	trans	-60.5	-41.5	175.4	-76.2	165	0	0	0	111.5	L54 L58 L197 L204 S205	L54-L201 HydrophobicContact CD2-CD2 3.58Å; L54-L201 HydrophobicContact CG-CD2 4.21Å; L58-L201 HydrophobicContact CD1-CD1 3.34Å; L58-L201 HydrophobicContact CD1-CD2 4.15Å; L58-L201 HydrophobicContact CD1-CG 4.38Å; L197-L201 WeakPolarHBondContact O-CB 3.29Å; L197-L201 VanDerWaalsContact O-CG 3.25Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 3.3Å; L201-L204 PolarHBondContact O-N 3.22Å; L201-S205 VanDerWaalsContact O-CB 3.23Å; L201-S205 WeakPolarHBondContact O-CB 3.41Å; L201-S205 PolarHBondContact O-N 3.07Å; L201-S205 PolarHBondContact O-OG 2.88Å
202	N	54.3	Low	51.9	Low	91 Å²	91	78.3 Å²	78.3	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-49.2	173.8	-72.7	-19.6	0	0	0	110.1	S198 K199 W200 L204 S205 Y206	S198-N202 WeakPolarHBondContact O-CB 3.42Å; S198-N202 PolarHBondContact O-N 2.88Å; S198-N202 PolarHBondContact O-ND2 3.06Å; K199-N202 PolarHBondContact O-N 3.38Å; W200-N202 VanDerWaalsContact C-N 3.3Å; W200-N202 PolarHBondContact O-N 2.76Å; N202-L204 VanDerWaalsContact C-N 3.34Å; N202-L204 PolarHBondContact O-N 3.39Å; N202-S205 PolarHBondContact O-N 3.39Å; N202-S205 PolarHBondContact O-OG 2.98Å; N202-Y206 WeakPolarHBondContact O-CD2 3.41Å; N202-Y206 PolarHBondContact O-N 3.1Å
203	Q	55.4	Low	52	Low	90 Å²	90	76.2 Å²	76.2	42%	0.421	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-42.5	178.2	-74.6	177.1	-15.8	0	0	112.5	K199 W200 S207 L216	K199-Q203 WeakPolarHBondContact O-CB 3.06Å; K199-Q203 VanDerWaalsContact O-CG 3.29Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 2.74Å; W200-Q203 PolarHBondContact O-N 3.45Å; W200-Q203 VanDerWaalsContact O-N 3.15Å; Q203-S207 WeakPolarHBondContact O-CB 3.27Å; Q203-S207 PolarHBondContact O-N 3.13Å; Q203-L216 HydrophobicContact CB-CD1 3.86Å; Q203-L216 HydrophobicContact CB-CD2 4.24Å; Q203-L216 VanDerWaalsContact OE1-CD2 3.32Å
204	L	52.7	Low	52.1	Low	22 Å²	22	79.8 Å²	79.8	12%	0.115	41%	0.405	C	S	.	.	H	α-helix	trans	-66.8	-46.8	178.9	-170.4	80.7	0	0	0	111.8	W200 L201 N202 Y206 S207 I213 L216	W200-L204 HydrophobicContact CH2-CD2 3.59Å; W200-L204 HydrophobicContact CH2-CG 4.49Å; W200-L204 HydrophobicContact CZ2-CD1 4.3Å; W200-L204 HydrophobicContact CZ2-CD2 4.15Å; W200-L204 HydrophobicContact CZ3-CD2 3.89Å; W200-L204 WeakPolarHBondContact O-CB 3.14Å; W200-L204 PolarHBondContact O-N 3.14Å; L201-L204 PolarHBondContact O-N 3.22Å; N202-L204 VanDerWaalsContact C-N 3.34Å; N202-L204 PolarHBondContact O-N 3.39Å; L204-Y206 PolarHBondContact O-N 3.12Å; L204-S207 PolarHBondContact O-N 3.2Å; L204-I213 HydrophobicContact CD1-CG2 4.1Å; L204-L216 HydrophobicContact CD1-CB 4.45Å
205	S	46.6	Very low	52.9	Low	68 Å²	68	78 Å²	78	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-25.3	-176.8	59.8	0	0	0	0	113.8	L201 N202	L201-S205 VanDerWaalsContact O-CB 3.23Å; L201-S205 WeakPolarHBondContact O-CB 3.41Å; L201-S205 PolarHBondContact O-N 3.07Å; L201-S205 PolarHBondContact O-OG 2.88Å; N202-S205 PolarHBondContact O-N 3.39Å; N202-S205 PolarHBondContact O-OG 2.98Å
206	Y	51.8	Low	53.5	Low	192 Å²	192	73.8 Å²	73.8	75%	0.753	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-1.7	176.8	-59.4	-64.7	0	0	0	113.9	N202 L204	N202-Y206 WeakPolarHBondContact O-CD2 3.41Å; N202-Y206 PolarHBondContact O-N 3.1Å; L204-Y206 PolarHBondContact O-N 3.12Å
207	S	51.4	Low	53.5	Low	17 Å²	17	71.2 Å²	71.2	12%	0.119	37%	0.371	C	S	.	.			trans	-82.1	124.2	-179.9	-165.9	0	0	0	0	110.7	Q203 L204 N209	Q203-S207 WeakPolarHBondContact O-CB 3.27Å; Q203-S207 PolarHBondContact O-N 3.13Å; L204-S207 PolarHBondContact O-N 3.2Å; S207-N209 PolarHBondContact OG-O 3.4Å
208	T	53.5	Low	53.8	Low	137 Å²	137	74.2 Å²	74.2	84%	0.84	38%	0.384	S	S	*	.			trans	-103.8	-7.8	167.8	53.3	0	0	0	0	112.4
209	N	63.4	Low	54.4	Low	88 Å²	88	77.3 Å²	77.3	47%	0.471	39%	0.392	S	S	.	.			trans	-86.3	115.4	-178.4	179.9	-40	0	0	0	109.8	S207 T211 K212 I213	S207-N209 PolarHBondContact OG-O 3.4Å; N209-T211 PolarHBondContact O-N 2.92Å; N209-T211 WeakPolarHBondContact OD1-CB 2.77Å; N209-T211 PolarHBondContact OD1-N 3.41Å; N209-K212 HydrophobicContact CB-CB 3.93Å; N209-K212 WeakPolarHBondContact O-CB 3.06Å; N209-K212 PolarHBondContact O-N 3.29Å; N209-K212 VanDerWaalsContact O-N 3.12Å; N209-K212 PolarHBondContact OD1-N 2.78Å; N209-K212 VanDerWaalsContact OD1-N 3.1Å; N209-I213 WeakPolarHBondContact O-CG1 3.38Å; N209-I213 PolarHBondContact O-N 3.5Å
210	L	50.2	Low	54.5	Low	89 Å²	89	72.7 Å²	72.7	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-56.3	-45.4	-178.5	180	64.2	0	0	0	112.6	N30 K212 I213 I214	N30-L210 HydrophobicContact CB-CD1 3.83Å; N30-L210 WeakPolarHBondContact ND2-CD1 3.09Å; L210-K212 VanDerWaalsContact C-N 3.3Å; L210-K212 PolarHBondContact O-N 3.38Å; L210-I213 WeakPolarHBondContact O-CB 3.35Å; L210-I213 PolarHBondContact O-N 3.41Å; L210-I213 VanDerWaalsContact O-N 3.14Å; L210-I214 HydrophobicContact CD1-CD1 4.19Å; L210-I214 HydrophobicContact CD1-CG1 4.39Å; L210-I214 HydrophobicContact CG-CD1 3.95Å; L210-I214 WeakPolarHBondContact O-CG1 3.18Å; L210-I214 PolarHBondContact O-N 3.44Å
211	T	56.4	Low	54.1	Low	91 Å²	91	73.6 Å²	73.6	56%	0.558	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-41.8	177.4	-48.5	0	0	0	0	111.2	N209 I214 N215	N209-T211 PolarHBondContact O-N 2.92Å; N209-T211 WeakPolarHBondContact OD1-CB 2.77Å; N209-T211 PolarHBondContact OD1-N 3.41Å; T211-I214 PolarHBondContact O-N 3.42Å; T211-N215 VanDerWaalsContact O-CG 3.25Å; T211-N215 PolarHBondContact O-N 3.05Å; T211-N215 PolarHBondContact O-OD1 3.48Å
212	K	58.7	Low	54.4	Low	102 Å²	102	76.6 Å²	76.6	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-38.5	175.8	-173.6	173.2	177.9	-178.2	0	111.9	N209 L210 L216	N209-K212 HydrophobicContact CB-CB 3.93Å; N209-K212 WeakPolarHBondContact O-CB 3.06Å; N209-K212 PolarHBondContact O-N 3.29Å; N209-K212 VanDerWaalsContact O-N 3.12Å; N209-K212 PolarHBondContact OD1-N 2.78Å; N209-K212 VanDerWaalsContact OD1-N 3.1Å; L210-K212 VanDerWaalsContact C-N 3.3Å; L210-K212 PolarHBondContact O-N 3.38Å; K212-L216 HydrophobicContact CG-CD1 4.11Å; K212-L216 WeakPolarHBondContact O-CB 3.19Å; K212-L216 WeakPolarHBondContact O-CD1 3.46Å; K212-L216 WeakPolarHBondContact O-CG 3.47Å; K212-L216 PolarHBondContact O-N 3.35Å
213	I	47.7	Very low	54.6	Low	12 Å²	12	73.3 Å²	73.3	6%	0.062	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-43.9	176	-67.9	166	0	0	0	110.9	T26 N30 L204 N209 L210 L216 T217	T26-I213 HydrophobicContact CG2-CG2 3.98Å; N30-I213 WeakPolarHBondContact ND2-CD1 3.02Å; L204-I213 HydrophobicContact CD1-CG2 4.1Å; N209-I213 WeakPolarHBondContact O-CG1 3.38Å; N209-I213 PolarHBondContact O-N 3.5Å; L210-I213 WeakPolarHBondContact O-CB 3.35Å; L210-I213 PolarHBondContact O-N 3.41Å; L210-I213 VanDerWaalsContact O-N 3.14Å; I213-L216 PolarHBondContact O-N 2.89Å; I213-T217 WeakPolarHBondContact O-CB 3.43Å; I213-T217 PolarHBondContact O-N 3.12Å; I213-T217 PolarHBondContact O-OG1 3.07Å
214	I	47.3	Very low	54.4	Low	91 Å²	91	71.5 Å²	71.5	47%	0.467	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-52.4	177.4	-69.4	166.8	0	0	0	110	L210 T211 L216 T217 E218	L210-I214 HydrophobicContact CD1-CD1 4.19Å; L210-I214 HydrophobicContact CD1-CG1 4.39Å; L210-I214 HydrophobicContact CG-CD1 3.95Å; L210-I214 WeakPolarHBondContact O-CG1 3.18Å; L210-I214 PolarHBondContact O-N 3.44Å; T211-I214 PolarHBondContact O-N 3.42Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.94Å; I214-T217 WeakPolarHBondContact O-CB 3.44Å; I214-T217 PolarHBondContact O-N 3.37Å; I214-E218 PolarHBondContact O-N 3.4Å
215	N	59.9	Low	54.3	Low	80 Å²	80	75.2 Å²	75.2	43%	0.428	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-40.4	179.9	-68.3	0.6	0	0	0	112.3	T211 E218 Q219	T211-N215 VanDerWaalsContact O-CG 3.25Å; T211-N215 PolarHBondContact O-N 3.05Å; T211-N215 PolarHBondContact O-OD1 3.48Å; N215-E218 PolarHBondContact O-N 3.44Å; N215-Q219 WeakPolarHBondContact O-CG 3.29Å; N215-Q219 PolarHBondContact O-N 3.01Å
216	L	56.9	Low	54.7	Low	7 Å²	7	76.4 Å²	76.4	4%	0.037	39%	0.388	C	S	.	.	H	α-helix	trans	-63.9	-42.8	175.2	-74.7	170.8	0	0	0	111	W200 Q203 L204 K212 I213 I214 E218 Q219 F220	W200-L216 VanDerWaalsContact NE1-C 3.3Å; W200-L216 PolarHBondContact NE1-O 3.33Å; Q203-L216 HydrophobicContact CB-CD1 3.86Å; Q203-L216 HydrophobicContact CB-CD2 4.24Å; Q203-L216 VanDerWaalsContact OE1-CD2 3.32Å; L204-L216 HydrophobicContact CD1-CB 4.45Å; K212-L216 HydrophobicContact CG-CD1 4.11Å; K212-L216 WeakPolarHBondContact O-CB 3.19Å; K212-L216 WeakPolarHBondContact O-CD1 3.46Å; K212-L216 WeakPolarHBondContact O-CG 3.47Å; K212-L216 PolarHBondContact O-N 3.35Å; I213-L216 PolarHBondContact O-N 2.89Å; I214-L216 VanDerWaalsContact C-N 3.31Å; I214-L216 PolarHBondContact O-N 2.94Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 3.41Å; L216-Q219 PolarHBondContact O-N 3.12Å; L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 3.41Å
217	T	51.2	Low	54.9	Low	32 Å²	32	70.2 Å²	70.2	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-38.4	179.6	-53.4	0	0	0	0	111.4	I213 I214 F220 T221	I213-T217 WeakPolarHBondContact O-CB 3.43Å; I213-T217 PolarHBondContact O-N 3.12Å; I213-T217 PolarHBondContact O-OG1 3.07Å; I214-T217 WeakPolarHBondContact O-CB 3.44Å; I214-T217 PolarHBondContact O-N 3.37Å; T217-F220 PolarHBondContact O-N 3.49Å; T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.99Å; T217-T221 PolarHBondContact O-OG1 3.49Å
218	E	54.9	Low	54.8	Low	106 Å²	106	71.2 Å²	71.2	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-49.3	174	-174.1	174	-163.3	0	0	111.8	I214 N215 L216 F220 T221 H222	I214-E218 PolarHBondContact O-N 3.4Å; N215-E218 PolarHBondContact O-N 3.44Å; L216-E218 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 3.41Å; E218-F220 VanDerWaalsContact C-N 3.26Å; E218-F220 PolarHBondContact O-N 3.1Å; E218-T221 WeakPolarHBondContact O-CA 3.48Å; E218-T221 VanDerWaalsContact O-CB 3.32Å; E218-T221 WeakPolarHBondContact O-CB 3.3Å; E218-T221 PolarHBondContact O-N 2.93Å; E218-H222 PolarHBondContact O-CD2 3.43Å; E218-H222 PolarHBondContact O-N 3.14Å
219	Q	60.7	Low	54.8	Low	122 Å²	122	69.4 Å²	69.4	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-56.6	-40.9	175.3	-73.9	176.2	0.6	0	0	112.5	N215 L216 T221 H222 L223	N215-Q219 WeakPolarHBondContact O-CG 3.29Å; N215-Q219 PolarHBondContact O-N 3.01Å; L216-Q219 PolarHBondContact O-N 3.12Å; Q219-T221 VanDerWaalsContact C-N 3.34Å; Q219-H222 PolarHBondContact O-N 3.4Å; Q219-L223 PolarHBondContact O-N 3.4Å
220	F	60.1	Low	54.3	Low	31 Å²	31	68.2 Å²	68.2	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-36.2	176.6	-176.9	-119.7	0	0	0	112.4	L197 W200 L216 T217 E218 L223 I224	L197-F220 HydrophobicContact CD2-CD2 4.29Å; L197-F220 HydrophobicContact CD2-CE2 3.55Å; L197-F220 HydrophobicContact CD2-CZ 4.39Å; W200-F220 HydrophobicContact CD2-CB 4.38Å; W200-F220 HydrophobicContact CD2-CD2 4.46Å; W200-F220 HydrophobicContact CD2-CG 4.48Å; W200-F220 AromaticContact CE2-CG 4Å; W200-F220 HydrophobicContact CH2-CB 4.29Å; W200-F220 AromaticContact CH2-CD1 3.9Å; W200-F220 HydrophobicContact CH2-CD1 3.9Å; W200-F220 HydrophobicContact CH2-CE1 4.36Å; W200-F220 AromaticContact CH2-CG 4Å; W200-F220 HydrophobicContact CH2-CG 4Å; W200-F220 HydrophobicContact CZ2-CB 3.55Å; W200-F220 AromaticContact CZ2-CD1 3.99Å; W200-F220 HydrophobicContact CZ2-CD1 3.99Å; W200-F220 HydrophobicContact CZ2-CD2 4.49Å; W200-F220 AromaticContact CZ2-CG 3.77Å; W200-F220 HydrophobicContact CZ2-CG 3.77Å; W200-F220 HydrophobicContact CZ3-CG 4.46Å; L216-F220 WeakPolarHBondContact O-CB 3.36Å; L216-F220 PolarHBondContact O-N 3.41Å; T217-F220 PolarHBondContact O-N 3.49Å; E218-F220 VanDerWaalsContact C-N 3.26Å; E218-F220 PolarHBondContact O-N 3.1Å; F220-L223 HydrophobicContact CD2-CD2 4.35Å; F220-L223 PolarHBondContact O-N 2.78Å; F220-I224 HydrophobicContact CD1-CD1 3.85Å; F220-I224 HydrophobicContact CE1-CD1 3.38Å; F220-I224 HydrophobicContact CE1-CG1 4.26Å; F220-I224 HydrophobicContact CE2-CD1 4.15Å; F220-I224 HydrophobicContact CE2-CG1 4.15Å; F220-I224 HydrophobicContact CG-CD1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 3.55Å; F220-I224 HydrophobicContact CZ-CG1 4.02Å; F220-I224 WeakPolarHBondContact O-CG1 3.43Å; F220-I224 PolarHBondContact O-N 3.32Å
221	T	51	Low	54.3	Low	42 Å²	42	67.3 Å²	67.3	26%	0.258	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-47	174.8	-57.8	0	0	0	0	110.5	T217 E218 Q219 L223 I224 L225	T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.99Å; T217-T221 PolarHBondContact O-OG1 3.49Å; E218-T221 WeakPolarHBondContact O-CA 3.48Å; E218-T221 VanDerWaalsContact O-CB 3.32Å; E218-T221 WeakPolarHBondContact O-CB 3.3Å; E218-T221 PolarHBondContact O-N 2.93Å; Q219-T221 VanDerWaalsContact C-N 3.34Å; T221-L223 PolarHBondContact O-N 2.73Å; T221-I224 PolarHBondContact O-N 2.72Å; T221-L225 HydrophobicContact CG2-CD1 4.15Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.35Å; T221-L225 PolarHBondContact O-N 3.24Å
222	H	57.4	Low	54	Low	99 Å²	99	66 Å²	66	46%	0.458	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-45.6	174.6	-74.6	-67.3	0	0	0	112.2	E218 Q219 I224 L225 D226	E218-H222 PolarHBondContact O-CD2 3.43Å; E218-H222 PolarHBondContact O-N 3.14Å; Q219-H222 PolarHBondContact O-N 3.4Å; H222-I224 VanDerWaalsContact C-N 3.32Å; H222-I224 PolarHBondContact O-N 3.44Å; H222-L225 WeakPolarHBondContact O-CB 3.36Å; H222-L225 PolarHBondContact O-N 3.24Å; H222-L225 VanDerWaalsContact O-N 3.09Å; H222-D226 PolarHBondContact O-N 3.48Å
223	L	58.5	Low	53.7	Low	21 Å²	21	63.1 Å²	63.1	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-58	-42.2	176.6	174.9	63.3	0	0	0	112.9	N193 L197 Q219 F220 T221 L227	N193-L223 HydrophobicContact CB-CD1 4.09Å; N193-L223 VanDerWaalsContact ND2-CD1 3.33Å; N193-L223 WeakPolarHBondContact ND2-CD1 3.36Å; N193-L223 WeakPolarHBondContact OD1-CD1 3.48Å; L197-L223 HydrophobicContact CG-CD2 4.2Å; Q219-L223 PolarHBondContact O-N 3.4Å; F220-L223 HydrophobicContact CD2-CD2 4.35Å; F220-L223 PolarHBondContact O-N 2.78Å; T221-L223 PolarHBondContact O-N 2.73Å; L223-L227 HydrophobicContact CD1-CD1 4.28Å; L223-L227 HydrophobicContact CD1-CG 4.41Å; L223-L227 HydrophobicContact CG-CD1 4.3Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.15Å; L223-L227 PolarHBondContact O-N 2.77Å
224	I	52.3	Low	54	Low	53 Å²	53	65.1 Å²	65.1	27%	0.272	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-43.9	176.1	-70.8	173.4	0	0	0	110.7	L15 F220 T221 H222 D226 L227 A228	L15-I224 HydrophobicContact CD2-CG2 3.52Å; F220-I224 HydrophobicContact CD1-CD1 3.85Å; F220-I224 HydrophobicContact CE1-CD1 3.38Å; F220-I224 HydrophobicContact CE1-CG1 4.26Å; F220-I224 HydrophobicContact CE2-CD1 4.15Å; F220-I224 HydrophobicContact CE2-CG1 4.15Å; F220-I224 HydrophobicContact CG-CD1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 3.55Å; F220-I224 HydrophobicContact CZ-CG1 4.02Å; F220-I224 WeakPolarHBondContact O-CG1 3.43Å; F220-I224 PolarHBondContact O-N 3.32Å; T221-I224 PolarHBondContact O-N 2.72Å; H222-I224 VanDerWaalsContact C-N 3.32Å; H222-I224 PolarHBondContact O-N 3.44Å; I224-D226 VanDerWaalsContact C-N 3.35Å; I224-L227 PolarHBondContact O-N 2.95Å; I224-A228 WeakPolarHBondContact O-CB 3.18Å; I224-A228 PolarHBondContact O-N 2.66Å
225	L	51.2	Low	54.2	Low	99 Å²	99	63 Å²	63	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-42.8	179.1	-70.7	171.6	0	0	0	111.2	T221 H222 A228 Y229	T221-L225 HydrophobicContact CG2-CD1 4.15Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.35Å; T221-L225 PolarHBondContact O-N 3.24Å; H222-L225 WeakPolarHBondContact O-CB 3.36Å; H222-L225 PolarHBondContact O-N 3.24Å; H222-L225 VanDerWaalsContact O-N 3.09Å; L225-A228 PolarHBondContact O-N 3.11Å; L225-Y229 WeakPolarHBondContact O-CB 3.2Å; L225-Y229 PolarHBondContact O-N 2.72Å
226	D	55.3	Low	53.7	Low	93 Å²	93	60.5 Å²	60.5	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.8	-65.2	-20	0	0	0	111.3	H222 I224 A228 Y229 E230	H222-D226 PolarHBondContact O-N 3.48Å; I224-D226 VanDerWaalsContact C-N 3.35Å; D226-A228 VanDerWaalsContact C-N 3.34Å; D226-A228 PolarHBondContact O-N 3.44Å; D226-Y229 WeakPolarHBondContact O-CB 2.97Å; D226-Y229 PolarHBondContact O-N 2.72Å; D226-E230 PolarHBondContact O-N 3.48Å
227	L	54.3	Low	53.6	Low	62 Å²	62	61 Å²	61	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-38	175.8	-72.9	171.5	0	0	0	112.4	L189 L223 I224 R231	L189-L227 HydrophobicContact CD2-CD2 4.35Å; L223-L227 HydrophobicContact CD1-CD1 4.28Å; L223-L227 HydrophobicContact CD1-CG 4.41Å; L223-L227 HydrophobicContact CG-CD1 4.3Å; L223-L227 VanDerWaalsContact O-CG 3.31Å; L223-L227 WeakPolarHBondContact O-CG 3.15Å; L223-L227 PolarHBondContact O-N 2.77Å; I224-L227 PolarHBondContact O-N 2.95Å; L227-R231 WeakPolarHBondContact O-CB 3.34Å; L227-R231 PolarHBondContact O-N 3.36Å; L227-R231 VanDerWaalsContact O-N 3.08Å
228	A	50.9	Low	53.8	Low	38 Å²	38	66.6 Å²	66.6	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-41.7	175.4	0	0	0	0	0	111.1	I224 L225 D226 R231 I232	I224-A228 WeakPolarHBondContact O-CB 3.18Å; I224-A228 PolarHBondContact O-N 2.66Å; L225-A228 PolarHBondContact O-N 3.11Å; D226-A228 VanDerWaalsContact C-N 3.34Å; D226-A228 PolarHBondContact O-N 3.44Å; A228-R231 PolarHBondContact O-N 2.76Å; A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 2.89Å
229	Y	52	Low	53.6	Low	99 Å²	99	63.1 Å²	63.1	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-60.9	-51.2	177	-178	-94.8	0	0	0	111.7	L225 D226 R231 I232 K233 L296	L225-Y229 WeakPolarHBondContact O-CB 3.2Å; L225-Y229 PolarHBondContact O-N 2.72Å; D226-Y229 WeakPolarHBondContact O-CB 2.97Å; D226-Y229 PolarHBondContact O-N 2.72Å; Y229-R231 VanDerWaalsContact C-N 3.25Å; Y229-R231 PolarHBondContact O-N 3.07Å; Y229-I232 PolarHBondContact O-N 3.32Å; Y229-I232 VanDerWaalsContact O-N 3.12Å; Y229-K233 PolarHBondContact O-N 3.28Å; Y229-L296 HydrophobicContact CE1-CD1 4.3Å; Y229-L296 HydrophobicContact CE2-CD1 4.05Å; Y229-L296 HydrophobicContact CE2-CD2 4.43Å; Y229-L296 WeakPolarHBondContact OH-CD1 3.19Å
230	E	53	Low	53.4	Low	64 Å²	64	58.6 Å²	58.6	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-36.1	176.4	-73.5	-57.5	138.8	0	0	112.1	D226 K233 L234	D226-E230 PolarHBondContact O-N 3.48Å; E230-K233 WeakPolarHBondContact O-CB 3.04Å; E230-K233 PolarHBondContact O-N 3.28Å; E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 3.44Å
231	R	50.9	Low	53.1	Low	69 Å²	69	58.5 Å²	58.5	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-40.5	175.2	-171.8	174.6	179.9	-172.1	-1.8	112.3	L227 A228 Y229 K233 L234 I235	L227-R231 WeakPolarHBondContact O-CB 3.34Å; L227-R231 PolarHBondContact O-N 3.36Å; L227-R231 VanDerWaalsContact O-N 3.08Å; A228-R231 PolarHBondContact O-N 2.76Å; Y229-R231 VanDerWaalsContact C-N 3.25Å; Y229-R231 PolarHBondContact O-N 3.07Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-L234 PolarHBondContact O-N 2.93Å; R231-I235 HydrophobicContact CG-CD1 4.24Å; R231-I235 VanDerWaalsContact O-CG1 3.25Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 2.97Å
232	I	50.3	Low	53.4	Low	65 Å²	65	60.7 Å²	60.7	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-44.1	173.6	-70.4	165	0	0	0	109.5	A228 Y229 L234 I235 L236 L296	A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 2.89Å; Y229-I232 PolarHBondContact O-N 3.32Å; Y229-I232 VanDerWaalsContact O-N 3.12Å; I232-L234 VanDerWaalsContact C-N 3.34Å; I232-L234 PolarHBondContact O-N 3.38Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I232-L236 HydrophobicContact CG2-CD1 3.92Å; I232-L236 HydrophobicContact CG2-CG 4.22Å; I232-L236 WeakPolarHBondContact O-CB 3.42Å; I232-L236 WeakPolarHBondContact O-CG 3.48Å; I232-L236 PolarHBondContact O-N 3.18Å; I232-L296 HydrophobicContact CG2-CD2 4.19Å
233	K	52.5	Low	53.2	Low	40 Å²	40	56.4 Å²	56.4	17%	0.174	27%	0.268	C	S	.	.	H	α-helix	trans	-55.9	-46.7	176	-170.5	-179.4	178.4	-173.2	0	111.8	Y229 E230 R231 I235 L236 L237 L296 E303	Y229-K233 PolarHBondContact O-N 3.28Å; E230-K233 WeakPolarHBondContact O-CB 3.04Å; E230-K233 PolarHBondContact O-N 3.28Å; R231-K233 VanDerWaalsContact C-N 3.32Å; K233-I235 PolarHBondContact O-N 2.77Å; K233-L236 PolarHBondContact O-N 2.97Å; K233-L237 WeakPolarHBondContact O-CB 3.4Å; K233-L237 PolarHBondContact O-N 3.37Å; K233-L296 HydrophobicContact CB-CD1 4.24Å; K233-L296 HydrophobicContact CG-CD1 4.2Å; K233-E303 WeakPolarHBondContact CE-OE1 3.13Å; K233-E303 IonicContact NZ-OE1 2.64Å; K233-E303 PolarHBondContact NZ-OE1 2.92Å
234	L	53.2	Low	52.9	Low	54 Å²	54	55.5 Å²	55.5	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-40.7	174.9	-75.3	166.6	0	0	0	113.7	I186 E230 R231 I232 L237 Y238	I186-L234 HydrophobicContact CD1-CD1 3.3Å; I186-L234 HydrophobicContact CD1-CD2 3.72Å; I186-L234 HydrophobicContact CD1-CG 3.88Å; I186-L234 HydrophobicContact CG1-CD1 4.29Å; E230-L234 WeakPolarHBondContact O-CG 3.4Å; E230-L234 PolarHBondContact O-N 3.44Å; R231-L234 PolarHBondContact O-N 2.93Å; I232-L234 VanDerWaalsContact C-N 3.34Å; I232-L234 PolarHBondContact O-N 3.38Å; L234-L237 WeakPolarHBondContact O-CB 3.36Å; L234-L237 PolarHBondContact O-N 2.6Å; L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 2.87Å
235	I	50.8	Low	53	Low	47 Å²	47	56 Å²	56	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-45.3	178	-66.2	164.8	0	0	0	109.5	F8 R231 I232 K233 L237 Y238 E239 F285	F8-I235 HydrophobicContact CE2-CD1 3.94Å; F8-I235 HydrophobicContact CZ-CD1 4.46Å; R231-I235 HydrophobicContact CG-CD1 4.24Å; R231-I235 VanDerWaalsContact O-CG1 3.25Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 2.97Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-I235 VanDerWaalsContact O-N 3.13Å; K233-I235 PolarHBondContact O-N 2.77Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 2.85Å; I235-Y238 PolarHBondContact O-N 3.25Å; I235-E239 HydrophobicContact CG2-CG 4.33Å; I235-E239 WeakPolarHBondContact O-CB 3.45Å; I235-E239 WeakPolarHBondContact O-CG 3.5Å; I235-E239 PolarHBondContact O-N 3.42Å; I235-F285 HydrophobicContact CG2-CE1 4.31Å; I235-F285 HydrophobicContact CG2-CZ 3.85Å
236	L	51.1	Low	53.1	Low	27 Å²	27	55.3 Å²	55.3	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-46.2	174.8	-72	173.7	0	0	0	110.2	I232 K233 Y238 E239 F240 F285 L296	I232-L236 HydrophobicContact CG2-CD1 3.92Å; I232-L236 HydrophobicContact CG2-CG 4.22Å; I232-L236 WeakPolarHBondContact O-CB 3.42Å; I232-L236 WeakPolarHBondContact O-CG 3.48Å; I232-L236 PolarHBondContact O-N 3.18Å; K233-L236 PolarHBondContact O-N 2.97Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-Y238 PolarHBondContact O-N 2.82Å; L236-E239 PolarHBondContact O-N 2.75Å; L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 2.78Å; L236-F285 HydrophobicContact CD2-CD2 4.46Å; L236-F285 HydrophobicContact CD2-CE2 3.75Å; L236-F285 HydrophobicContact CD2-CZ 3.9Å; L236-L296 HydrophobicContact CD1-CD2 3.42Å; L236-L296 VanDerWaalsContact CD1-CD2 3.42Å; L236-L296 HydrophobicContact CD1-CG 3.88Å
237	L	54.7	Low	52.9	Low	18 Å²	18	51.7 Å²	51.7	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-44.4	176.2	-162.7	110.1	0	0	0	111.7	K233 L234 I235 F240 Q241 F320	K233-L237 WeakPolarHBondContact O-CB 3.4Å; K233-L237 PolarHBondContact O-N 3.37Å; L234-L237 WeakPolarHBondContact O-CB 3.36Å; L234-L237 PolarHBondContact O-N 2.6Å; I235-L237 VanDerWaalsContact C-N 3.3Å; I235-L237 PolarHBondContact O-N 2.85Å; L237-F240 WeakPolarHBondContact O-CB 3.49Å; L237-F240 PolarHBondContact O-N 3.35Å; L237-Q241 WeakPolarHBondContact O-CB 3.4Å; L237-Q241 WeakPolarHBondContact O-CG 3.44Å; L237-Q241 PolarHBondContact O-N 2.92Å; L237-F320 HydrophobicContact CD1-CE2 4.25Å; L237-F320 HydrophobicContact CD1-CZ 3.63Å; L237-F320 HydrophobicContact CG-CZ 4.13Å
238	Y	54.8	Low	52.6	Low	149 Å²	149	51.5 Å²	51.5	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-67.7	-43.5	178.5	-177.1	-97.7	0	0	0	113.1	L234 I235 L236 Q241 R242	L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 2.87Å; I235-Y238 PolarHBondContact O-N 3.25Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-Y238 PolarHBondContact O-N 2.82Å; Y238-Q241 WeakPolarHBondContact O-CB 3.02Å; Y238-Q241 PolarHBondContact O-N 3.32Å; Y238-R242 PolarHBondContact O-N 2.76Å
239	E	51.9	Low	52.5	Low	33 Å²	33	55.5 Å²	55.5	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-40.8	175.7	-73.9	-63.5	158.7	0	0	110.8	I235 L236 Q241 R242 I243	I235-E239 HydrophobicContact CG2-CG 4.33Å; I235-E239 WeakPolarHBondContact O-CB 3.45Å; I235-E239 WeakPolarHBondContact O-CG 3.5Å; I235-E239 PolarHBondContact O-N 3.42Å; L236-E239 PolarHBondContact O-N 2.75Å; E239-Q241 VanDerWaalsContact C-N 3.35Å; E239-Q241 PolarHBondContact O-N 3.45Å; E239-R242 VanDerWaalsContact CD-NH1 3.34Å; E239-R242 WeakPolarHBondContact O-CB 2.93Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 VanDerWaalsContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 3.95Å; E239-R242 IonicContact OE1-NH1 3.19Å; E239-R242 PolarHBondContact OE1-NH1 3.14Å; E239-R242 IonicContact OE2-CZ 3.62Å; E239-R242 IonicContact OE2-NE 2.67Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; E239-R242 IonicContact OE2-NH1 2.95Å; E239-R242 PolarHBondContact OE2-NH1 2.11Å; E239-R242 IonicContact OE2-NH2 3.82Å; E239-R242 PolarHBondContact OE2-NH2 3.08Å; E239-I243 WeakPolarHBondContact O-CD1 3.19Å; E239-I243 WeakPolarHBondContact O-CG1 3.24Å; E239-I243 PolarHBondContact O-N 3.05Å
240	F	55.8	Low	52.2	Low	28 Å²	28	53.8 Å²	53.8	12%	0.123	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-47.5	172.9	-160.2	-87.1	0	0	0	110.8	L236 L237 R242 I243 L244 L276 V300 I304	L236-F240 WeakPolarHBondContact O-CB 3.37Å; L236-F240 PolarHBondContact O-N 2.78Å; L237-F240 WeakPolarHBondContact O-CB 3.49Å; L237-F240 PolarHBondContact O-N 3.35Å; F240-R242 VanDerWaalsContact C-N 3.35Å; F240-R242 PolarHBondContact O-N 3.23Å; F240-I243 PolarHBondContact O-N 3.48Å; F240-L244 HydrophobicContact CD1-CD1 3.35Å; F240-L244 HydrophobicContact CD1-CD2 4.47Å; F240-L244 HydrophobicContact CD1-CG 3.79Å; F240-L244 HydrophobicContact CE1-CD1 3.47Å; F240-L244 VanDerWaalsContact CE1-CD1 3.47Å; F240-L244 HydrophobicContact CE1-CD2 3.99Å; F240-L244 HydrophobicContact CE1-CG 3.81Å; F240-L244 WeakPolarHBondContact O-CB 3.42Å; F240-L244 VanDerWaalsContact O-CG 3.23Å; F240-L244 WeakPolarHBondContact O-CG 3.25Å; F240-L244 PolarHBondContact O-N 3.49Å; F240-L276 HydrophobicContact CD2-CD1 4.17Å; F240-L276 HydrophobicContact CD2-CD2 3.51Å; F240-L276 HydrophobicContact CD2-CG 4.44Å; F240-L276 HydrophobicContact CE2-CD1 3.24Å; F240-L276 HydrophobicContact CE2-CD2 3.48Å; F240-L276 VanDerWaalsContact CE2-CD2 3.48Å; F240-L276 HydrophobicContact CE2-CG 3.94Å; F240-L276 HydrophobicContact CG-CD2 4.29Å; F240-L276 HydrophobicContact CZ-CD1 3.47Å; F240-L276 VanDerWaalsContact CZ-CD1 3.47Å; F240-L276 HydrophobicContact CZ-CD2 4.16Å; F240-L276 HydrophobicContact CZ-CG 4.46Å; F240-V300 HydrophobicContact CD2-CG1 4.27Å; F240-V300 HydrophobicContact CE2-CG1 4.35Å; F240-V300 HydrophobicContact CG-CG1 4.43Å; F240-I304 HydrophobicContact CD1-CD1 3.92Å; F240-I304 HydrophobicContact CE1-CD1 3.17Å; F240-I304 HydrophobicContact CZ-CD1 3.58Å
241	Q	54.2	Low	51.6	Low	28 Å²	28	59.1 Å²	59.1	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-43.4	174.3	-73.3	161.9	7.8	0	0	112.4	L237 Y238 E239 I243 L244 K245 L321 I326	L237-Q241 WeakPolarHBondContact O-CB 3.4Å; L237-Q241 WeakPolarHBondContact O-CG 3.44Å; L237-Q241 PolarHBondContact O-N 2.92Å; Y238-Q241 WeakPolarHBondContact O-CB 3.02Å; Y238-Q241 PolarHBondContact O-N 3.32Å; E239-Q241 VanDerWaalsContact C-N 3.35Å; E239-Q241 PolarHBondContact O-N 3.45Å; Q241-I243 VanDerWaalsContact C-N 3.34Å; Q241-L244 PolarHBondContact O-N 2.99Å; Q241-K245 WeakPolarHBondContact O-CB 3.31Å; Q241-K245 WeakPolarHBondContact O-CG 3.06Å; Q241-K245 PolarHBondContact O-N 3.33Å; Q241-L321 HydrophobicContact CG-CD2 4.29Å; Q241-I326 HydrophobicContact CB-CD1 4.48Å; Q241-I326 HydrophobicContact CG-CD1 3.62Å; Q241-I326 VanDerWaalsContact NE2-CD1 3.28Å
242	R	57	Low	51.3	Low	89 Å²	89	60.5 Å²	60.5	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-43.5	176.8	-169.4	-178	82.3	-165.2	6.1	111.3	Y238 E239 F240 K245 N246 E284	Y238-R242 PolarHBondContact O-N 2.76Å; E239-R242 VanDerWaalsContact CD-NH1 3.34Å; E239-R242 WeakPolarHBondContact O-CB 2.93Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 VanDerWaalsContact O-N 3.15Å; E239-R242 IonicContact OE1-CZ 3.95Å; E239-R242 IonicContact OE1-NH1 3.19Å; E239-R242 PolarHBondContact OE1-NH1 3.14Å; E239-R242 IonicContact OE2-CZ 3.62Å; E239-R242 IonicContact OE2-NE 2.67Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; E239-R242 IonicContact OE2-NH1 2.95Å; E239-R242 PolarHBondContact OE2-NH1 2.11Å; E239-R242 IonicContact OE2-NH2 3.82Å; E239-R242 PolarHBondContact OE2-NH2 3.08Å; F240-R242 VanDerWaalsContact C-N 3.35Å; F240-R242 PolarHBondContact O-N 3.23Å; R242-K245 PolarHBondContact O-N 3.45Å; R242-N246 VanDerWaalsContact O-CG 3.28Å; R242-N246 PolarHBondContact O-N 2.78Å; R242-N246 PolarHBondContact O-ND2 3.31Å; R242-E284 IonicContact NH2-OE1 2.99Å; R242-E284 PolarHBondContact NH2-OE1 3.02Å
243	I	52.7	Low	51	Low	9 Å²	9	59.5 Å²	59.5	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-47.3	178.8	-67.1	158.8	0	0	0	110.2	E239 F240 Q241 K245 N246 I247 L276 Y280	E239-I243 WeakPolarHBondContact O-CD1 3.19Å; E239-I243 WeakPolarHBondContact O-CG1 3.24Å; E239-I243 PolarHBondContact O-N 3.05Å; F240-I243 PolarHBondContact O-N 3.48Å; Q241-I243 VanDerWaalsContact C-N 3.34Å; I243-K245 PolarHBondContact O-N 2.94Å; I243-N246 CarbonylContact O-C 3.58Å; I243-N246 WeakPolarHBondContact O-CA 3.35Å; I243-N246 WeakPolarHBondContact O-CB 3.41Å; I243-N246 PolarHBondContact O-N 3.08Å; I243-N246 VanDerWaalsContact O-N 3.11Å; I243-I247 HydrophobicContact CG2-CD1 3.71Å; I243-I247 HydrophobicContact CG2-CG1 4.33Å; I243-I247 VanDerWaalsContact O-CG1 3.32Å; I243-I247 WeakPolarHBondContact O-CG1 3.3Å; I243-I247 PolarHBondContact O-N 3.3Å; I243-L276 HydrophobicContact CD1-CD2 4.16Å; I243-L276 HydrophobicContact CG2-CD2 3.99Å; I243-Y280 HydrophobicContact CD1-CD1 3.63Å; I243-Y280 HydrophobicContact CD1-CD2 3.68Å; I243-Y280 HydrophobicContact CD1-CE1 4.28Å; I243-Y280 HydrophobicContact CD1-CE2 4.32Å; I243-Y280 HydrophobicContact CD1-CG 3.3Å; I243-Y280 HydrophobicContact CG1-CD1 3.92Å; I243-Y280 HydrophobicContact CG1-CD2 3.91Å; I243-Y280 HydrophobicContact CG1-CE1 4.05Å; I243-Y280 HydrophobicContact CG1-CE2 4.03Å; I243-Y280 HydrophobicContact CG1-CG 3.86Å; I243-Y280 HydrophobicContact CG2-CD2 4.33Å; I243-Y280 HydrophobicContact CG2-CE2 4.36Å
244	L	52.1	Low	50.8	Low	2 Å²	2	61.3 Å²	61.3	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.1	-70	169.8	0	0	0	111.7	F240 Q241 N246 I247 F248 L317	F240-L244 HydrophobicContact CD1-CD1 3.35Å; F240-L244 HydrophobicContact CD1-CD2 4.47Å; F240-L244 HydrophobicContact CD1-CG 3.79Å; F240-L244 HydrophobicContact CE1-CD1 3.47Å; F240-L244 VanDerWaalsContact CE1-CD1 3.47Å; F240-L244 HydrophobicContact CE1-CD2 3.99Å; F240-L244 HydrophobicContact CE1-CG 3.81Å; F240-L244 WeakPolarHBondContact O-CB 3.42Å; F240-L244 VanDerWaalsContact O-CG 3.23Å; F240-L244 WeakPolarHBondContact O-CG 3.25Å; F240-L244 PolarHBondContact O-N 3.49Å; Q241-L244 PolarHBondContact O-N 2.99Å; L244-N246 PolarHBondContact O-N 3.04Å; L244-I247 CarbonylContact O-C 3.56Å; L244-I247 PolarHBondContact O-N 2.98Å; L244-F248 WeakPolarHBondContact O-CB 3.21Å; L244-F248 VanDerWaalsContact O-CD2 3.32Å; L244-F248 WeakPolarHBondContact O-CD2 3.24Å; L244-F248 PolarHBondContact O-N 2.97Å; L244-L317 HydrophobicContact CB-CD2 4.21Å; L244-L317 HydrophobicContact CD1-CD1 3.18Å; L244-L317 HydrophobicContact CD1-CD2 3.92Å; L244-L317 HydrophobicContact CD1-CG 3.98Å; L244-L317 HydrophobicContact CD2-CD1 3.99Å; L244-L317 HydrophobicContact CD2-CD2 3.76Å; L244-L317 HydrophobicContact CG-CD1 4.14Å; L244-L317 HydrophobicContact CG-CD2 4.18Å
245	K	54.7	Low	50.4	Low	62 Å²	62	67.9 Å²	67.9	27%	0.27	33%	0.331	S	S	.	.	H	α-helix	trans	-56.6	-39.9	174.3	-78.3	-164.3	175.4	-149.6	0	111.5	Q241 R242 I243 N249 I326 M327 L328	Q241-K245 WeakPolarHBondContact O-CB 3.31Å; Q241-K245 WeakPolarHBondContact O-CG 3.06Å; Q241-K245 PolarHBondContact O-N 3.33Å; R242-K245 PolarHBondContact O-N 3.45Å; I243-K245 PolarHBondContact O-N 2.94Å; K245-N249 VanDerWaalsContact O-CB 3.23Å; K245-N249 WeakPolarHBondContact O-CB 3.37Å; K245-N249 VanDerWaalsContact O-CG 3.22Å; K245-N249 PolarHBondContact O-N 3.37Å; K245-N249 PolarHBondContact O-ND2 3.15Å; K245-I326 VanDerWaalsContact CE-CG2 3.47Å; K245-M327 PolarHBondContact NZ-O 3.39Å; K245-M327 VanDerWaalsContact NZ-O 3.11Å; K245-L328 PolarHBondContact NZ-OXT 3.49Å
246	N	53.3	Low	50.2	Low	86 Å²	86	74 Å²	74	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-68.5	-35.7	175.3	-70.8	-16.4	0	0	0	113	R242 I243 L244 I250	R242-N246 VanDerWaalsContact O-CG 3.28Å; R242-N246 PolarHBondContact O-N 2.78Å; R242-N246 PolarHBondContact O-ND2 3.31Å; I243-N246 CarbonylContact O-C 3.58Å; I243-N246 WeakPolarHBondContact O-CA 3.35Å; I243-N246 WeakPolarHBondContact O-CB 3.41Å; I243-N246 PolarHBondContact O-N 3.08Å; I243-N246 VanDerWaalsContact O-N 3.11Å; L244-N246 PolarHBondContact O-N 3.04Å; N246-I250 WeakPolarHBondContact O-CG1 3.4Å
247	I	50.2	Low	49.9	Very low	17 Å²	17	76.2 Å²	76.2	9%	0.087	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-40.8	176	-68.7	168.6	0	0	0	110.7	I243 L244 I250 W268	I243-I247 HydrophobicContact CG2-CD1 3.71Å; I243-I247 HydrophobicContact CG2-CG1 4.33Å; I243-I247 VanDerWaalsContact O-CG1 3.32Å; I243-I247 WeakPolarHBondContact O-CG1 3.3Å; I243-I247 PolarHBondContact O-N 3.3Å; L244-I247 CarbonylContact O-C 3.56Å; L244-I247 PolarHBondContact O-N 2.98Å; I247-I250 VanDerWaalsContact O-CB 3.27Å; I247-I250 WeakPolarHBondContact O-CB 3.42Å; I247-I250 PolarHBondContact O-N 3.39Å; I247-W268 HydrophobicContact CG2-CH2 4.2Å; I247-W268 HydrophobicContact CG2-CZ3 4.38Å
248	F	48.1	Very low	49.4	Very low	57 Å²	57	82 Å²	82	25%	0.25	39%	0.385	C	S	.	.	H	α-helix	trans	-78.5	-29.9	-179.2	-85.1	-92	0	0	0	113.5	L244 I250 P314 L317	L244-F248 WeakPolarHBondContact O-CB 3.21Å; L244-F248 VanDerWaalsContact O-CD2 3.32Å; L244-F248 WeakPolarHBondContact O-CD2 3.24Å; L244-F248 PolarHBondContact O-N 2.97Å; F248-I250 PolarHBondContact O-N 3.22Å; F248-P314 HydrophobicContact CE1-CB 3.95Å; F248-P314 HydrophobicContact CE1-CG 4.24Å; F248-P314 HydrophobicContact CZ-CB 4.14Å; F248-P314 HydrophobicContact CZ-CG 4.21Å; F248-L317 HydrophobicContact CD2-CD2 3.69Å; F248-L317 HydrophobicContact CE2-CD2 3.02Å; F248-L317 HydrophobicContact CE2-CG 4.48Å; F248-L317 HydrophobicContact CZ-CD2 3.52Å
249	N	49	Very low	48.8	Very low	122 Å²	122	79 Å²	79	65%	0.652	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.9	168.4	-79.2	-13.5	0	0	0	113	K245 E251	K245-N249 VanDerWaalsContact O-CB 3.23Å; K245-N249 WeakPolarHBondContact O-CB 3.37Å; K245-N249 VanDerWaalsContact O-CG 3.22Å; K245-N249 PolarHBondContact O-N 3.37Å; K245-N249 PolarHBondContact O-ND2 3.15Å; N249-E251 PolarHBondContact O-N 3.05Å
250	I	45.4	Very low	48.5	Very low	63 Å²	63	87.6 Å²	87.6	32%	0.323	42%	0.419	S	S	.	.			trans	-75.2	74.6	161.3	-54.2	169.2	0	0	0	106.6	N246 I247 F248 S252 L253	N246-I250 WeakPolarHBondContact O-CG1 3.4Å; I247-I250 VanDerWaalsContact O-CB 3.27Å; I247-I250 WeakPolarHBondContact O-CB 3.42Å; I247-I250 PolarHBondContact O-N 3.39Å; F248-I250 PolarHBondContact O-N 3.22Å; I250-S252 WeakPolarHBondContact CG2-OG 3.44Å; I250-S252 PolarHBondContact O-N 3.03Å; I250-L253 HydrophobicContact CB-CD1 4.12Å; I250-L253 HydrophobicContact CD1-CD1 4.38Å; I250-L253 HydrophobicContact CG2-CD1 3.84Å; I250-L253 HydrophobicContact CG2-CG 3.86Å; I250-L253 PolarHBondContact O-N 3.46Å
251	E	42	Very low	48.1	Very low	176 Å²	176	88.6 Å²	88.6	82%	0.822	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-3	173.2	-74.3	178.5	147.4	0	0	113.1	N249	N249-E251 PolarHBondContact O-N 3.05Å
252	S	44.5	Very low	47.9	Very low	98 Å²	98	92.5 Å²	92.5	69%	0.685	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	2	177.8	64.2	0	0	0	0	116.1	I250	I250-S252 WeakPolarHBondContact CG2-OG 3.44Å; I250-S252 PolarHBondContact O-N 3.03Å
253	L	44.3	Very low	47.4	Very low	44 Å²	44	93.5 Å²	93.5	23%	0.23	47%	0.467	C	S	.	.	S	Bend	trans	-99.5	-15.6	178.7	-72.1	168	0	0	0	114.8	I250 E255 Y257	I250-L253 HydrophobicContact CB-CD1 4.12Å; I250-L253 HydrophobicContact CD1-CD1 4.38Å; I250-L253 HydrophobicContact CG2-CD1 3.84Å; I250-L253 HydrophobicContact CG2-CG 3.86Å; I250-L253 PolarHBondContact O-N 3.46Å; L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 3.41Å; L253-Y257 HydrophobicContact CB-CD2 4.4Å; L253-Y257 HydrophobicContact CD2-CD2 3.64Å; L253-Y257 HydrophobicContact CD2-CE2 3.19Å
254	N	46.3	Very low	47.2	Very low	79 Å²	79	93.8 Å²	93.8	42%	0.422	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.2	-172.5	-81.1	-16.8	0	0	0	115.5	Y258	N254-Y258 HydrophobicContact CB-CE2 4.41Å; N254-Y258 WeakPolarHBondContact O-CD2 3.46Å; N254-Y258 WeakPolarHBondContact OD1-CE2 3.42Å
255	E	46.2	Very low	46.9	Very low	191 Å²	191	98.9 Å²	98.9	89%	0.893	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-23.5	176.5	-72.8	-171.9	157.4	0	0	114.1	L253	L253-E255 VanDerWaalsContact C-N 3.32Å; L253-E255 PolarHBondContact O-N 3.41Å
256	K	45.9	Very low	46.8	Very low	176 Å²	176	102.3 Å²	102.3	77%	0.765	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-22.1	-172.1	-124.8	176.2	-177.1	177.7	0	114.6
257	Y	44.1	Very low	46.7	Very low	74 Å²	74	102.6 Å²	102.6	29%	0.29	51%	0.51	S	S	.	.	S	Bend	trans	-108.9	-7.5	-174.4	-67.5	-92.5	0	0	0	114.2	L253 T259 W268 L271	L253-Y257 HydrophobicContact CB-CD2 4.4Å; L253-Y257 HydrophobicContact CD2-CD2 3.64Å; L253-Y257 HydrophobicContact CD2-CE2 3.19Å; Y257-T259 PolarHBondContact O-N 3Å; Y257-W268 AromaticContact CD1-CD1 3.95Å; Y257-W268 AromaticContact CD1-NE1 3.81Å; Y257-W268 AromaticContact CG-NE1 3.62Å; Y257-L271 HydrophobicContact CE1-CD1 4.43Å
258	Y	45	Very low	46.7	Very low	138 Å²	138	104.6 Å²	104.6	54%	0.541	52%	0.517	S	S	.	.			trans	-81.6	18.8	179.1	-93.1	-87	0	0	0	114.8	N254 P314	N254-Y258 HydrophobicContact CB-CE2 4.41Å; N254-Y258 WeakPolarHBondContact O-CD2 3.46Å; N254-Y258 WeakPolarHBondContact OD1-CE2 3.42Å; Y258-P314 WeakPolarHBondContact OH-CG 3.49Å
259	T	42.9	Very low	46.9	Very low	87 Å²	87	106.4 Å²	106.4	53%	0.534	53%	0.525	S	S	.	.	S	Bend	trans	-78.5	126.2	166.1	53.6	0	0	0	0	108.3	Y257 S261 S264	Y257-T259 PolarHBondContact O-N 3Å; T259-S261 PolarHBondContact O-N 3.39Å; T259-S264 PolarHBondContact O-OG 3.44Å
260	K	45.6	Very low	47.3	Very low	213 Å²	213	104.9 Å²	104.9	93%	0.926	52%	0.516	S	S	*	.			trans	-59.7	16.8	-177.5	-71.5	179.9	174.3	178.2	0	115.4
261	S	46.5	Very low	47.8	Very low	50 Å²	50	105.1 Å²	105.1	35%	0.35	52%	0.518	S	S	.	.			trans	-74.9	142.8	-179.9	78.5	0	0	0	0	111.1	T259 N263 S264	T259-S261 PolarHBondContact O-N 3.39Å; S261-N263 PolarHBondContact O-N 3.45Å; S261-S264 PolarHBondContact O-N 3.07Å; S261-S264 PolarHBondContact O-OG 3.08Å; S261-S264 PolarHBondContact OG-N 3.47Å
262	T	49.9	Very low	48.3	Very low	110 Å²	110	96.9 Å²	96.9	68%	0.675	48%	0.48	S	S	*	.	H	α-helix	trans	-54.1	-32.1	170.1	25.8	0	0	0	0	112.6	S264 K265 E266	T262-S264 VanDerWaalsContact C-N 3.34Å; T262-S264 PolarHBondContact O-N 3.06Å; T262-K265 WeakPolarHBondContact O-CB 3.41Å; T262-K265 PolarHBondContact O-N 3.45Å; T262-E266 PolarHBondContact O-N 3.44Å
263	N	47.2	Very low	48.7	Very low	109 Å²	109	97.2 Å²	97.2	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-66.8	-29.2	179.4	-70.1	3.2	0	0	0	113.7	S261 K265 L267	S261-N263 PolarHBondContact O-N 3.45Å; N263-K265 VanDerWaalsContact C-N 3.32Å; N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 3.17Å
264	S	47.5	Very low	49.1	Very low	16 Å²	16	98.9 Å²	98.9	11%	0.112	48%	0.476	C	S	.	.	H	α-helix	trans	-75	-25.9	177.2	62.2	0	0	0	0	112.2	T259 S261 T262 W268	T259-S264 PolarHBondContact O-OG 3.44Å; S261-S264 PolarHBondContact O-N 3.07Å; S261-S264 PolarHBondContact O-OG 3.08Å; S261-S264 PolarHBondContact OG-N 3.47Å; T262-S264 VanDerWaalsContact C-N 3.34Å; T262-S264 PolarHBondContact O-N 3.06Å; S264-W268 WeakPolarHBondContact O-CB 3.35Å; S264-W268 PolarHBondContact O-N 2.72Å; S264-W268 VanDerWaalsContact O-N 3.11Å
265	K	47.3	Very low	49.4	Very low	109 Å²	109	98.6 Å²	98.6	47%	0.474	47%	0.471	S	S	.	.	H	α-helix	trans	-73.8	-47.2	179	-68.5	-172.8	172.4	-164.1	0	112.8	T262 N263 W268 K269 I311	T262-K265 WeakPolarHBondContact O-CB 3.41Å; T262-K265 PolarHBondContact O-N 3.45Å; N263-K265 VanDerWaalsContact C-N 3.32Å; K265-W268 PolarHBondContact O-N 3.38Å; K265-K269 PolarHBondContact O-N 2.9Å; K265-I311 HydrophobicContact CB-CD1 4.19Å; K265-I311 HydrophobicContact CD-CD1 3.99Å
266	E	51.5	Low	49.7	Very low	133 Å²	133	90.5 Å²	90.5	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-63.6	-42.3	175.6	-76.4	-179.3	165.7	0	0	111.4	T262 W268 K269 D270	T262-E266 PolarHBondContact O-N 3.44Å; E266-W268 VanDerWaalsContact C-N 3.32Å; E266-W268 PolarHBondContact O-N 3.34Å; E266-K269 PolarHBondContact O-N 2.83Å; E266-D270 WeakPolarHBondContact O-CB 3.42Å; E266-D270 PolarHBondContact O-N 3.15Å
267	L	52.2	Low	49.7	Very low	92 Å²	92	85.7 Å²	85.7	48%	0.482	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-38.7	175.2	-109.7	142.2	0	0	0	112.9	N263 L271	N263-L267 WeakPolarHBondContact O-CB 3.21Å; N263-L267 PolarHBondContact O-N 3.17Å; L267-L271 HydrophobicContact CD2-CD1 4.16Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 WeakPolarHBondContact O-CD1 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 3.35Å
268	W	50.1	Low	49.9	Very low	60 Å²	60	84.7 Å²	84.7	23%	0.227	42%	0.419	C	S	.	.	H	α-helix	trans	-68.5	-43.9	175.5	-105.4	96.3	0	0	0	112.2	I247 Y257 S264 K265 E266 L271 V272	I247-W268 HydrophobicContact CG2-CH2 4.2Å; I247-W268 HydrophobicContact CG2-CZ3 4.38Å; Y257-W268 AromaticContact CD1-CD1 3.95Å; Y257-W268 AromaticContact CD1-NE1 3.81Å; Y257-W268 AromaticContact CG-NE1 3.62Å; S264-W268 WeakPolarHBondContact O-CB 3.35Å; S264-W268 PolarHBondContact O-N 2.72Å; S264-W268 VanDerWaalsContact O-N 3.11Å; K265-W268 PolarHBondContact O-N 3.38Å; E266-W268 VanDerWaalsContact C-N 3.32Å; E266-W268 PolarHBondContact O-N 3.34Å; W268-L271 PolarHBondContact O-N 3.03Å; W268-V272 HydrophobicContact CE3-CG2 3.35Å; W268-V272 HydrophobicContact CZ3-CG2 3.46Å; W268-V272 VanDerWaalsContact CZ3-CG2 3.46Å; W268-V272 WeakPolarHBondContact O-CB 3.28Å; W268-V272 WeakPolarHBondContact O-CG2 3.39Å; W268-V272 PolarHBondContact O-N 3.02Å
269	K	52.6	Low	50	Low	94 Å²	94	82.4 Å²	82.4	41%	0.409	41%	0.413	S	S	.	.	H	α-helix	trans	-59.3	-48.8	175.7	-175.3	170.9	-179.3	157.4	0	110.2	K265 E266 Y273 G310	K265-K269 PolarHBondContact O-N 2.9Å; E266-K269 PolarHBondContact O-N 2.83Å; K269-Y273 WeakPolarHBondContact O-CA 3.35Å; K269-Y273 WeakPolarHBondContact O-CB 3.34Å; K269-Y273 PolarHBondContact O-N 2.86Å; K269-G310 PolarHBondContact NZ-O 3.15Å
270	D	56.1	Low	50.1	Low	90 Å²	90	81.4 Å²	81.4	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-40.2	177.7	-75.2	-13.2	0	0	0	112.1	E266 N274	E266-D270 WeakPolarHBondContact O-CB 3.42Å; E266-D270 PolarHBondContact O-N 3.15Å; D270-N274 WeakPolarHBondContact O-CA 3.49Å; D270-N274 WeakPolarHBondContact O-CB 3.26Å; D270-N274 PolarHBondContact O-N 2.79Å; D270-N274 PolarHBondContact O-ND2 3.06Å
271	L	55.5	Low	50	Low	68 Å²	68	72.2 Å²	72.2	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-46.7	178.1	-92.7	161.1	0	0	0	111.9	Y257 L267 W268 K275	Y257-L271 HydrophobicContact CE1-CD1 4.43Å; L267-L271 HydrophobicContact CD2-CD1 4.16Å; L267-L271 WeakPolarHBondContact O-CB 3.42Å; L267-L271 WeakPolarHBondContact O-CD1 3.29Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 3.35Å; W268-L271 PolarHBondContact O-N 3.03Å; L271-K275 WeakPolarHBondContact O-CB 3.27Å; L271-K275 VanDerWaalsContact O-CG 3.29Å; L271-K275 WeakPolarHBondContact O-CG 3.45Å; L271-K275 PolarHBondContact O-N 3.38Å
272	V	53.4	Low	49.6	Very low	4 Å²	4	74.1 Å²	74.1	2%	0.024	36%	0.363	C	S	.	.	H	α-helix	trans	-78	-44.5	-177.4	-177.3	0	0	0	0	110.5	W268 K275 L276 F312	W268-V272 HydrophobicContact CE3-CG2 3.35Å; W268-V272 HydrophobicContact CZ3-CG2 3.46Å; W268-V272 VanDerWaalsContact CZ3-CG2 3.46Å; W268-V272 WeakPolarHBondContact O-CB 3.28Å; W268-V272 WeakPolarHBondContact O-CG2 3.39Å; W268-V272 PolarHBondContact O-N 3.02Å; V272-K275 PolarHBondContact O-N 2.87Å; V272-L276 HydrophobicContact CG1-CD1 3.34Å; V272-L276 HydrophobicContact CG1-CG 3.96Å; V272-L276 WeakPolarHBondContact O-CB 3.45Å; V272-L276 VanDerWaalsContact O-CD1 3.3Å; V272-L276 WeakPolarHBondContact O-CD1 3.25Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.24Å; V272-F312 HydrophobicContact CB-CZ 3.97Å; V272-F312 HydrophobicContact CG1-CE1 4.21Å; V272-F312 HydrophobicContact CG1-CE2 4.49Å; V272-F312 HydrophobicContact CG1-CZ 3.5Å; V272-F312 HydrophobicContact CG2-CZ 4.22Å
273	Y	52.6	Low	49.1	Very low	104 Å²	104	74.7 Å²	74.7	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-51.6	173.5	-171.9	-90.3	0	0	0	110.4	K269 K275 L276 Y277	K269-Y273 WeakPolarHBondContact O-CA 3.35Å; K269-Y273 WeakPolarHBondContact O-CB 3.34Å; K269-Y273 PolarHBondContact O-N 2.86Å; Y273-K275 PolarHBondContact O-N 3.17Å; Y273-L276 PolarHBondContact O-N 3.36Å; Y273-Y277 HydrophobicContact CE1-CD2 4.21Å; Y273-Y277 HydrophobicContact CE1-CG 4.18Å; Y273-Y277 WeakPolarHBondContact O-CA 3.46Å; Y273-Y277 WeakPolarHBondContact O-CB 3.23Å; Y273-Y277 PolarHBondContact O-N 3.47Å
274	N	53.5	Low	48.6	Very low	80 Å²	80	73 Å²	73	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-69.4	-31.1	-179.9	-63.2	-41.8	0	0	0	112.8	D270 A278	D270-N274 WeakPolarHBondContact O-CA 3.49Å; D270-N274 WeakPolarHBondContact O-CB 3.26Å; D270-N274 PolarHBondContact O-N 2.79Å; D270-N274 PolarHBondContact O-ND2 3.06Å; N274-A278 WeakPolarHBondContact O-CA 3.37Å; N274-A278 WeakPolarHBondContact O-CB 3.43Å; N274-A278 PolarHBondContact O-N 3.41Å
275	K	52.3	Low	48.1	Very low	73 Å²	73	73.9 Å²	73.9	32%	0.317	35%	0.352	S	S	.	.	H	α-helix	trans	-70.2	-46.3	171.7	-84.9	-175.9	165.8	-175	0	112.3	L271 V272 Y273 Y277 E279	L271-K275 WeakPolarHBondContact O-CB 3.27Å; L271-K275 VanDerWaalsContact O-CG 3.29Å; L271-K275 WeakPolarHBondContact O-CG 3.45Å; L271-K275 PolarHBondContact O-N 3.38Å; V272-K275 PolarHBondContact O-N 2.87Å; Y273-K275 PolarHBondContact O-N 3.17Å; K275-Y277 VanDerWaalsContact C-N 3.34Å; K275-E279 WeakPolarHBondContact O-CA 3.32Å; K275-E279 VanDerWaalsContact O-CB 3.26Å; K275-E279 WeakPolarHBondContact O-CB 3.09Å; K275-E279 PolarHBondContact O-N 3.03Å
276	L	51.3	Low	47.7	Very low	21 Å²	21	73.7 Å²	73.7	11%	0.11	36%	0.356	C	S	.	.	I	π-helix	trans	-62.1	-46.5	177.3	-73.6	164.2	0	0	0	111	F240 I243 V272 Y273 I281	F240-L276 HydrophobicContact CD2-CD1 4.17Å; F240-L276 HydrophobicContact CD2-CD2 3.51Å; F240-L276 HydrophobicContact CD2-CG 4.44Å; F240-L276 HydrophobicContact CE2-CD1 3.24Å; F240-L276 HydrophobicContact CE2-CD2 3.48Å; F240-L276 VanDerWaalsContact CE2-CD2 3.48Å; F240-L276 HydrophobicContact CE2-CG 3.94Å; F240-L276 HydrophobicContact CG-CD2 4.29Å; F240-L276 HydrophobicContact CZ-CD1 3.47Å; F240-L276 VanDerWaalsContact CZ-CD1 3.47Å; F240-L276 HydrophobicContact CZ-CD2 4.16Å; F240-L276 HydrophobicContact CZ-CG 4.46Å; I243-L276 HydrophobicContact CD1-CD2 4.16Å; I243-L276 HydrophobicContact CG2-CD2 3.99Å; V272-L276 HydrophobicContact CG1-CD1 3.34Å; V272-L276 HydrophobicContact CG1-CG 3.96Å; V272-L276 WeakPolarHBondContact O-CB 3.45Å; V272-L276 VanDerWaalsContact O-CD1 3.3Å; V272-L276 WeakPolarHBondContact O-CD1 3.25Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.24Å; Y273-L276 PolarHBondContact O-N 3.36Å; L276-I281 WeakPolarHBondContact O-CG1 3.22Å; L276-I281 PolarHBondContact O-N 2.86Å
277	Y	47.3	Very low	47.1	Very low	74 Å²	74	70 Å²	70	29%	0.29	34%	0.342	S	S	.	.	I	π-helix	trans	-62.9	-72.3	176	-158.2	-106.8	0	0	0	108.4	Y273 K275 I281 F282 I297	Y273-Y277 HydrophobicContact CE1-CD2 4.21Å; Y273-Y277 HydrophobicContact CE1-CG 4.18Å; Y273-Y277 WeakPolarHBondContact O-CA 3.46Å; Y273-Y277 WeakPolarHBondContact O-CB 3.23Å; Y273-Y277 PolarHBondContact O-N 3.47Å; K275-Y277 VanDerWaalsContact C-N 3.34Å; Y277-I281 HydrophobicContact CD2-CD1 4.39Å; Y277-I281 PolarHBondContact O-N 2.82Å; Y277-F282 VanDerWaalsContact C-CD2 3.49Å; Y277-F282 VanDerWaalsContact C-CE2 3.44Å; Y277-F282 AromaticContact CD1-CE2 3.39Å; Y277-F282 HydrophobicContact CD1-CE2 3.39Å; Y277-F282 AromaticContact CD1-CZ 3.73Å; Y277-F282 HydrophobicContact CD1-CZ 3.73Å; Y277-F282 AromaticContact CE1-CE2 3.59Å; Y277-F282 HydrophobicContact CE1-CE2 3.59Å; Y277-F282 AromaticContact CE1-CZ 3.38Å; Y277-F282 HydrophobicContact CE1-CZ 3.38Å; Y277-F282 AromaticContact CG-CE2 3.86Å; Y277-F282 HydrophobicContact CG-CE2 3.86Å; Y277-F282 HydrophobicContact CG-CZ 4.43Å; Y277-F282 AromaticContact CZ-CZ 3.84Å; Y277-F282 WeakPolarHBondContact O-CD2 3.44Å; Y277-F282 WeakPolarHBondContact O-CE2 3.37Å; Y277-I297 HydrophobicContact CE2-CD1 4.47Å
278	A	48.1	Very low	46.3	Very low	54 Å²	54	69 Å²	69	45%	0.446	34%	0.342	S	S	.	.	I	π-helix	trans	-66.7	-39.8	-170.2	0	0	0	0	0	115.6	N274	N274-A278 WeakPolarHBondContact O-CA 3.37Å; N274-A278 WeakPolarHBondContact O-CB 3.43Å; N274-A278 PolarHBondContact O-N 3.41Å
279	E	46.2	Very low	45.6	Very low	90 Å²	90	68.5 Å²	68.5	42%	0.421	35%	0.345	S	S	.	.	I	π-helix	trans	-89.1	-30.2	-173.8	-68.4	-176.6	159.4	0	0	113.3	K275 N283	K275-E279 WeakPolarHBondContact O-CA 3.32Å; K275-E279 VanDerWaalsContact O-CB 3.26Å; K275-E279 WeakPolarHBondContact O-CB 3.09Å; K275-E279 PolarHBondContact O-N 3.03Å; E279-N283 VanDerWaalsContact O-CB 3.29Å; E279-N283 WeakPolarHBondContact O-CB 3.31Å; E279-N283 PolarHBondContact O-ND2 3.3Å
280	Y	44.7	Very low	44.9	Very low	66 Å²	66	69.2 Å²	69.2	26%	0.259	36%	0.362	S	S	.	.	I	π-helix	trans	-123.4	-34.6	-164.1	-75.4	-79.3	0	0	0	115.3	I243 F282 E284	I243-Y280 HydrophobicContact CD1-CD1 3.63Å; I243-Y280 HydrophobicContact CD1-CD2 3.68Å; I243-Y280 HydrophobicContact CD1-CE1 4.28Å; I243-Y280 HydrophobicContact CD1-CE2 4.32Å; I243-Y280 HydrophobicContact CD1-CG 3.3Å; I243-Y280 HydrophobicContact CG1-CD1 3.92Å; I243-Y280 HydrophobicContact CG1-CD2 3.91Å; I243-Y280 HydrophobicContact CG1-CE1 4.05Å; I243-Y280 HydrophobicContact CG1-CE2 4.03Å; I243-Y280 HydrophobicContact CG1-CG 3.86Å; I243-Y280 HydrophobicContact CG2-CD2 4.33Å; I243-Y280 HydrophobicContact CG2-CE2 4.36Å; Y280-F282 VanDerWaalsContact C-N 3.32Å; Y280-E284 HydrophobicContact CD1-CG 4.13Å
281	I	43.6	Very low	44.1	Very low	20 Å²	20	70.8 Å²	70.8	10%	0.103	37%	0.37	C	S	.	.	I	π-helix	trans	-68.4	-36.1	169.1	-63.9	176.9	0	0	0	110.3	L276 Y277 I292 I297	L276-I281 WeakPolarHBondContact O-CG1 3.22Å; L276-I281 PolarHBondContact O-N 2.86Å; Y277-I281 HydrophobicContact CD2-CD1 4.39Å; Y277-I281 PolarHBondContact O-N 2.82Å; I281-I292 HydrophobicContact CG2-CD1 3.94Å; I281-I297 HydrophobicContact CD1-CD1 3.43Å; I281-I297 VanDerWaalsContact CD1-CD1 3.43Å; I281-I297 HydrophobicContact CD1-CG1 3.8Å
282	F	38.1	Very low	43.7	Very low	89 Å²	89	68.5 Å²	68.5	39%	0.39	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-30.6	-177	-62.4	-87.1	0	0	0	115.9	Y277 Y280 V289	Y277-F282 VanDerWaalsContact C-CD2 3.49Å; Y277-F282 VanDerWaalsContact C-CE2 3.44Å; Y277-F282 AromaticContact CD1-CE2 3.39Å; Y277-F282 HydrophobicContact CD1-CE2 3.39Å; Y277-F282 AromaticContact CD1-CZ 3.73Å; Y277-F282 HydrophobicContact CD1-CZ 3.73Å; Y277-F282 AromaticContact CE1-CE2 3.59Å; Y277-F282 HydrophobicContact CE1-CE2 3.59Å; Y277-F282 AromaticContact CE1-CZ 3.38Å; Y277-F282 HydrophobicContact CE1-CZ 3.38Å; Y277-F282 AromaticContact CG-CE2 3.86Å; Y277-F282 HydrophobicContact CG-CE2 3.86Å; Y277-F282 HydrophobicContact CG-CZ 4.43Å; Y277-F282 AromaticContact CZ-CZ 3.84Å; Y277-F282 WeakPolarHBondContact O-CD2 3.44Å; Y277-F282 WeakPolarHBondContact O-CE2 3.37Å; Y280-F282 VanDerWaalsContact C-N 3.32Å; F282-V289 HydrophobicContact CD1-CG2 3.56Å; F282-V289 HydrophobicContact CE1-CB 4.2Å; F282-V289 HydrophobicContact CE1-CG2 3.07Å; F282-V289 HydrophobicContact CZ-CG2 3.66Å
283	N	39.3	Very low	43.5	Very low	122 Å²	122	73.8 Å²	73.8	65%	0.652	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-22.4	-172.6	-63	-42.1	0	0	0	114.7	E279	E279-N283 VanDerWaalsContact O-CB 3.29Å; E279-N283 WeakPolarHBondContact O-CB 3.31Å; E279-N283 PolarHBondContact O-ND2 3.3Å
284	E	38.5	Very low	43.4	Very low	74 Å²	74	73.7 Å²	73.7	35%	0.346	39%	0.392	S	S	.	.	S	Bend	trans	-101	-23.4	-178.2	-75.5	-105.2	-169.6	0	0	113	M1 R242 Y280	M1-E284 WeakPolarHBondContact CE-OE1 3.5Å; R242-E284 IonicContact NH2-OE1 2.99Å; R242-E284 PolarHBondContact NH2-OE1 3.02Å; Y280-E284 HydrophobicContact CD1-CG 4.13Å
285	F	35.7	Very low	43.4	Very low	35 Å²	35	75.4 Å²	75.4	15%	0.154	40%	0.398	C	S	.	.			trans	-112.2	110.9	174.7	-68	-88.2	0	0	0	109.1	I235 L236 V287	I235-F285 HydrophobicContact CG2-CE1 4.31Å; I235-F285 HydrophobicContact CG2-CZ 3.85Å; L236-F285 HydrophobicContact CD2-CD2 4.46Å; L236-F285 HydrophobicContact CD2-CE2 3.75Å; L236-F285 HydrophobicContact CD2-CZ 3.9Å; F285-V287 HydrophobicContact CB-CB 4.29Å; F285-V287 HydrophobicContact CB-CG2 4Å; F285-V287 PolarHBondContact O-N 3.35Å
286	D	40.3	Very low	43.4	Very low	105 Å²	105	72.3 Å²	72.3	56%	0.561	39%	0.385	S	S	*	.			trans	-68	47.9	166.7	-68.6	-51.7	0	0	0	110.8	R5	R5-D286 IonicContact CZ-OD1 3.24Å; R5-D286 IonicContact CZ-OD2 2.91Å; R5-D286 IonicContact NE-OD2 2.95Å; R5-D286 PolarHBondContact NE-OD2 3.33Å; R5-D286 IonicContact NH2-OD1 2.77Å; R5-D286 PolarHBondContact NH2-OD1 3.05Å; R5-D286 IonicContact NH2-OD2 3.88Å; R5-D286 PolarHBondContact NH2-OD2 2.93Å
287	V	37.3	Very low	43.4	Very low	54 Å²	54	73.3 Å²	73.3	33%	0.327	39%	0.39	S	S	.	.			trans	-112.1	120.2	-178.8	-176	0	0	0	0	107.2	F285 V289 L291 I292	F285-V287 HydrophobicContact CB-CB 4.29Å; F285-V287 HydrophobicContact CB-CG2 4Å; F285-V287 PolarHBondContact O-N 3.35Å; V287-V289 PolarHBondContact O-N 3.45Å; V287-L291 HydrophobicContact CG1-CB 4.01Å; V287-I292 HydrophobicContact CB-CD1 4.09Å; V287-I292 HydrophobicContact CB-CG1 4.31Å; V287-I292 HydrophobicContact CG1-CD1 4.1Å; V287-I292 HydrophobicContact CG1-CG1 3.76Å
288	P	36.8	Very low	43.9	Very low	73 Å²	73	74.3 Å²	74.3	47%	0.474	40%	0.397	S	S	.	.			trans	-49.6	128.9	171.4	-24.7	28.6	0	0	0	110.7	S290 L291	P288-S290 PolarHBondContact O-N 3.43Å; P288-L291 HydrophobicContact CB-CD1 4.15Å; P288-L291 HydrophobicContact CB-CG 4.42Å; P288-L291 HydrophobicContact CG-CD1 3.87Å; P288-L291 WeakPolarHBondContact O-CB 3.28Å; P288-L291 PolarHBondContact O-N 3.22Å
289	V	34.5	Very low	44.4	Very low	49 Å²	49	73.2 Å²	73.2	30%	0.297	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.4	178.3	168.9	0	0	0	0	113.2	F282 V287 L291 I292	F282-V289 HydrophobicContact CD1-CG2 3.56Å; F282-V289 HydrophobicContact CE1-CB 4.2Å; F282-V289 HydrophobicContact CE1-CG2 3.07Å; F282-V289 HydrophobicContact CZ-CG2 3.66Å; V287-V289 PolarHBondContact O-N 3.45Å; V289-L291 PolarHBondContact O-N 2.84Å; V289-I292 VanDerWaalsContact O-O 3.12Å
290	S	37.6	Very low	45	Very low	108 Å²	108	69.3 Å²	69.3	76%	0.755	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.2	172	58.8	0	0	0	0	114.5	P288	P288-S290 PolarHBondContact O-N 3.43Å
291	L	38.8	Very low	45.7	Very low	123 Å²	123	67.6 Å²	67.6	64%	0.644	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-25.4	-178.4	-69	168.5	0	0	0	113	V287 P288 V289 K293	V287-L291 HydrophobicContact CG1-CB 4.01Å; P288-L291 HydrophobicContact CB-CD1 4.15Å; P288-L291 HydrophobicContact CB-CG 4.42Å; P288-L291 HydrophobicContact CG-CD1 3.87Å; P288-L291 WeakPolarHBondContact O-CB 3.28Å; P288-L291 PolarHBondContact O-N 3.22Å; V289-L291 PolarHBondContact O-N 2.84Å; L291-K293 PolarHBondContact O-N 2.91Å
292	I	47.3	Very low	46.7	Very low	21 Å²	21	70.9 Å²	70.9	11%	0.108	38%	0.38	C	S	.	.	S	Bend	trans	-83.4	99.9	169.2	-61	176.4	0	0	0	106.4	I281 V287 V289 L296 I297	I281-I292 HydrophobicContact CG2-CD1 3.94Å; V287-I292 HydrophobicContact CB-CD1 4.09Å; V287-I292 HydrophobicContact CB-CG1 4.31Å; V287-I292 HydrophobicContact CG1-CD1 4.1Å; V287-I292 HydrophobicContact CG1-CG1 3.76Å; V289-I292 VanDerWaalsContact O-O 3.12Å; I292-L296 HydrophobicContact CG2-CD2 4.4Å; I292-I297 HydrophobicContact CG2-CD1 4.18Å; I292-I297 HydrophobicContact CG2-CG1 4.16Å
293	K	50.5	Low	47.8	Very low	115 Å²	115	70.3 Å²	70.3	50%	0.5	38%	0.379	S	S	.	.			trans	-57.4	132.4	-180	-64.9	-162.8	179.6	-175.3	0	109.4	L291 E295 L296	L291-K293 PolarHBondContact O-N 2.91Å; K293-E295 HydrophobicContact CB-CB 3.93Å; K293-E295 HydrophobicContact CB-CG 4.34Å; K293-E295 VanDerWaalsContact CD-CD 3.49Å; K293-E295 WeakPolarHBondContact CD-OE2 3.5Å; K293-E295 IonicContact NZ-OE1 3.03Å; K293-E295 IonicContact NZ-OE2 3.07Å; K293-E295 PolarHBondContact NZ-OE2 3.01Å; K293-E295 PolarHBondContact O-N 3.37Å; K293-L296 WeakPolarHBondContact O-CB 3.45Å; K293-L296 PolarHBondContact O-N 3.39Å
294	P	49.7	Very low	48.9	Very low	101 Å²	101	64.5 Å²	64.5	66%	0.656	35%	0.348	S	S	*	.	H	α-helix	trans	-46.5	-31.4	167.8	-29.3	35.4	0	0	0	112.4	L296 I297 Q298	P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.23Å; P294-I297 PolarHBondContact O-N 3.42Å; P294-Q298 VanDerWaalsContact O-CB 3.25Å; P294-Q298 WeakPolarHBondContact O-CB 3.47Å; P294-Q298 PolarHBondContact O-N 3.2Å
295	E	54.3	Low	50.1	Low	117 Å²	117	61.5 Å²	61.5	55%	0.547	33%	0.334	S	S	.	.	H	α-helix	trans	-51.4	-40.2	171.5	-63.5	157.3	-151.3	0	0	114	K293 S299	K293-E295 HydrophobicContact CB-CB 3.93Å; K293-E295 HydrophobicContact CB-CG 4.34Å; K293-E295 VanDerWaalsContact CD-CD 3.49Å; K293-E295 WeakPolarHBondContact CD-OE2 3.5Å; K293-E295 IonicContact NZ-OE1 3.03Å; K293-E295 IonicContact NZ-OE2 3.07Å; K293-E295 PolarHBondContact NZ-OE2 3.01Å; K293-E295 PolarHBondContact O-N 3.37Å; E295-S299 WeakPolarHBondContact O-CB 3.49Å; E295-S299 PolarHBondContact O-N 2.82Å
296	L	51.2	Low	51.3	Low	7 Å²	7	66.8 Å²	66.8	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-73.3	-43.5	-178.9	-179.9	63.5	0	0	0	111.2	Y229 I232 K233 L236 I292 K293 P294 Q298 S299 V300	Y229-L296 HydrophobicContact CE1-CD1 4.3Å; Y229-L296 HydrophobicContact CE2-CD1 4.05Å; Y229-L296 HydrophobicContact CE2-CD2 4.43Å; Y229-L296 WeakPolarHBondContact OH-CD1 3.19Å; I232-L296 HydrophobicContact CG2-CD2 4.19Å; K233-L296 HydrophobicContact CB-CD1 4.24Å; K233-L296 HydrophobicContact CG-CD1 4.2Å; L236-L296 HydrophobicContact CD1-CD2 3.42Å; L236-L296 VanDerWaalsContact CD1-CD2 3.42Å; L236-L296 HydrophobicContact CD1-CG 3.88Å; I292-L296 HydrophobicContact CG2-CD2 4.4Å; K293-L296 WeakPolarHBondContact O-CB 3.45Å; K293-L296 PolarHBondContact O-N 3.39Å; P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.23Å; L296-Q298 VanDerWaalsContact C-N 3.33Å; L296-S299 PolarHBondContact O-N 3.46Å; L296-S299 PolarHBondContact O-OG 3.36Å; L296-V300 PolarHBondContact O-N 3.19Å; L296-V300 VanDerWaalsContact O-N 3.12Å
297	I	52	Low	52.6	Low	42 Å²	42	65.5 Å²	65.5	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-44	175.7	-60.2	165.4	0	0	0	109.6	Y277 I281 I292 P294 S299 V300 F301	Y277-I297 HydrophobicContact CE2-CD1 4.47Å; I281-I297 HydrophobicContact CD1-CD1 3.43Å; I281-I297 VanDerWaalsContact CD1-CD1 3.43Å; I281-I297 HydrophobicContact CD1-CG1 3.8Å; I292-I297 HydrophobicContact CG2-CD1 4.18Å; I292-I297 HydrophobicContact CG2-CG1 4.16Å; P294-I297 PolarHBondContact O-N 3.42Å; I297-S299 VanDerWaalsContact C-N 3.28Å; I297-S299 PolarHBondContact O-N 3.25Å; I297-V300 PolarHBondContact O-N 2.78Å; I297-F301 WeakPolarHBondContact O-CB 3.22Å; I297-F301 PolarHBondContact O-N 3.34Å
298	Q	58.5	Low	54	Low	96 Å²	96	65.8 Å²	65.8	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-36.5	174.9	-166.6	65	45.9	0	0	111.5	P294 L296 F301 N302	P294-Q298 VanDerWaalsContact O-CB 3.25Å; P294-Q298 WeakPolarHBondContact O-CB 3.47Å; P294-Q298 PolarHBondContact O-N 3.2Å; L296-Q298 VanDerWaalsContact C-N 3.33Å; Q298-F301 PolarHBondContact O-N 2.97Å; Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 VanDerWaalsContact O-CB 3.31Å; Q298-N302 WeakPolarHBondContact O-CB 3.34Å; Q298-N302 PolarHBondContact O-N 2.64Å; Q298-N302 PolarHBondContact O-ND2 2.48Å; Q298-N302 PolarHBondContact O-OD1 2.8Å
299	S	58.5	Low	55.5	Low	30 Å²	30	66.3 Å²	66.3	21%	0.21	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-41.6	176.8	77.1	0	0	0	0	112.4	E295 L296 I297 N302 E303	E295-S299 WeakPolarHBondContact O-CB 3.49Å; E295-S299 PolarHBondContact O-N 2.82Å; L296-S299 PolarHBondContact O-N 3.46Å; L296-S299 PolarHBondContact O-OG 3.36Å; I297-S299 VanDerWaalsContact C-N 3.28Å; I297-S299 PolarHBondContact O-N 3.25Å; S299-N302 PolarHBondContact O-N 3.14Å; S299-E303 WeakPolarHBondContact O-CG 3.27Å; S299-E303 PolarHBondContact O-N 2.91Å
300	V	57.3	Low	56.6	Low	8 Å²	8	64.9 Å²	64.9	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-40.2	175.3	176.2	0	0	0	0	110.3	F240 L296 I297 E303 I304	F240-V300 HydrophobicContact CD2-CG1 4.27Å; F240-V300 HydrophobicContact CE2-CG1 4.35Å; F240-V300 HydrophobicContact CG-CG1 4.43Å; L296-V300 PolarHBondContact O-N 3.19Å; L296-V300 VanDerWaalsContact O-N 3.12Å; I297-V300 PolarHBondContact O-N 2.78Å; V300-E303 PolarHBondContact O-N 3.34Å; V300-I304 HydrophobicContact CG1-CD1 4.25Å; V300-I304 WeakPolarHBondContact O-CD1 3.47Å; V300-I304 WeakPolarHBondContact O-CG1 3.41Å; V300-I304 PolarHBondContact O-N 3.47Å
301	F	60.9	Low	57.4	Low	30 Å²	30	62 Å²	62	13%	0.132	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-47.8	175.8	-168.7	-85.2	0	0	0	111.5	I297 Q298 E303 I304 D305 G310 F312	I297-F301 WeakPolarHBondContact O-CB 3.22Å; I297-F301 PolarHBondContact O-N 3.34Å; Q298-F301 PolarHBondContact O-N 2.97Å; F301-E303 VanDerWaalsContact C-N 3.27Å; F301-E303 PolarHBondContact O-N 2.86Å; F301-I304 PolarHBondContact O-N 3.49Å; F301-I304 VanDerWaalsContact O-N 3.07Å; F301-D305 HydrophobicContact CD1-CB 4.03Å; F301-D305 HydrophobicContact CE1-CB 3.83Å; F301-D305 WeakPolarHBondContact O-CB 3.41Å; F301-D305 PolarHBondContact O-N 3.49Å; F301-G310 WeakPolarHBondContact CZ-O 3.45Å; F301-F312 HydrophobicContact CD2-CD1 4.43Å; F301-F312 AromaticContact CE2-CD1 3.85Å; F301-F312 HydrophobicContact CE2-CD1 3.85Å; F301-F312 AromaticContact CE2-CE1 3.96Å; F301-F312 HydrophobicContact CE2-CE1 3.96Å; F301-F312 HydrophobicContact CZ-CD1 4.26Å
302	N	64.5	Low	58.4	Low	89 Å²	89	57.3 Å²	57.3	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-26.4	179.2	-66.2	-5	0	0	0	113	Q298 S299 I304	Q298-N302 PolarHBondContact NE2-OD1 2.72Å; Q298-N302 VanDerWaalsContact O-CB 3.31Å; Q298-N302 WeakPolarHBondContact O-CB 3.34Å; Q298-N302 PolarHBondContact O-N 2.64Å; Q298-N302 PolarHBondContact O-ND2 2.48Å; Q298-N302 PolarHBondContact O-OD1 2.8Å; S299-N302 PolarHBondContact O-N 3.14Å; N302-I304 VanDerWaalsContact C-N 3.27Å
303	E	60.8	Low	58.9	Low	78 Å²	78	58.6 Å²	58.6	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-71.1	-24.8	173.5	-80.5	177.8	-176.2	0	0	112.4	K233 S299 V300 F301 F320	K233-E303 WeakPolarHBondContact CE-OE1 3.13Å; K233-E303 IonicContact NZ-OE1 2.64Å; K233-E303 PolarHBondContact NZ-OE1 2.92Å; S299-E303 WeakPolarHBondContact O-CG 3.27Å; S299-E303 PolarHBondContact O-N 2.91Å; V300-E303 PolarHBondContact O-N 3.34Å; F301-E303 VanDerWaalsContact C-N 3.27Å; F301-E303 PolarHBondContact O-N 2.86Å; E303-F320 HydrophobicContact CB-CE2 4.1Å
304	I	61.1	Low	59.2	Low	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-92.6	-45.1	178.1	-56.8	161	0	0	0	110.2	F240 V300 F301 N302 Y306 F312 L317 F320	F240-I304 HydrophobicContact CD1-CD1 3.92Å; F240-I304 HydrophobicContact CE1-CD1 3.17Å; F240-I304 HydrophobicContact CZ-CD1 3.58Å; V300-I304 HydrophobicContact CG1-CD1 4.25Å; V300-I304 WeakPolarHBondContact O-CD1 3.47Å; V300-I304 WeakPolarHBondContact O-CG1 3.41Å; V300-I304 PolarHBondContact O-N 3.47Å; F301-I304 PolarHBondContact O-N 3.49Å; F301-I304 VanDerWaalsContact O-N 3.07Å; N302-I304 VanDerWaalsContact C-N 3.27Å; I304-Y306 PolarHBondContact O-N 2.95Å; I304-F312 HydrophobicContact CB-CB 4.38Å; I304-F312 HydrophobicContact CG2-CB 3.45Å; I304-F312 VanDerWaalsContact CG2-CB 3.45Å; I304-F312 HydrophobicContact CG2-CD1 4.37Å; I304-F312 HydrophobicContact CG2-CD2 4.3Å; I304-F312 HydrophobicContact CG2-CG 3.78Å; I304-L317 HydrophobicContact CG2-CD1 3.85Å; I304-F320 HydrophobicContact CB-CD2 4.35Å; I304-F320 HydrophobicContact CD1-CZ 4.46Å; I304-F320 HydrophobicContact CG1-CD1 4.09Å; I304-F320 HydrophobicContact CG1-CD2 3.63Å; I304-F320 HydrophobicContact CG1-CE1 4.11Å; I304-F320 HydrophobicContact CG1-CE2 3.66Å; I304-F320 HydrophobicContact CG1-CG 3.84Å; I304-F320 HydrophobicContact CG1-CZ 3.89Å; I304-F320 HydrophobicContact CG2-CB 4.4Å
305	D	65	Low	59.7	Low	10 Å²	10	53.5 Å²	53.5	5%	0.053	30%	0.295	C	S	.	.			trans	-75.5	64.8	174.2	179.1	15.3	0	0	0	110.2	F301 N307 G308 D309 G310	F301-D305 HydrophobicContact CD1-CB 4.03Å; F301-D305 HydrophobicContact CE1-CB 3.83Å; F301-D305 WeakPolarHBondContact O-CB 3.41Å; F301-D305 PolarHBondContact O-N 3.49Å; D305-N307 PolarHBondContact O-N 3.07Å; D305-N307 PolarHBondContact OD1-OD1 3.23Å; D305-G308 PolarHBondContact O-N 3.43Å; D305-G308 WeakPolarHBondContact OD1-CA 3.46Å; D305-G308 PolarHBondContact OD1-N 3.05Å; D305-D309 PolarHBondContact OD1-N 3.02Å; D305-D309 VanDerWaalsContact OD1-N 3.11Å; D305-G310 WeakPolarHBondContact OD2-CA 3.21Å; D305-G310 PolarHBondContact OD2-N 3.38Å
306	Y	60	Low	60	Low	147 Å²	147	48 Å²	48	58%	0.576	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.5	-177	78.6	-104.8	0	0	0	112.1	I304 G308 E316 I319	I304-Y306 PolarHBondContact O-N 2.95Å; Y306-G308 VanDerWaalsContact C-N 3.34Å; Y306-E316 HydrophobicContact CD1-CB 4.3Å; Y306-E316 HydrophobicContact CD1-CG 3.53Å; Y306-E316 HydrophobicContact CE1-CB 4.18Å; Y306-E316 HydrophobicContact CE1-CG 3.21Å; Y306-I319 HydrophobicContact CE1-CD1 3.77Å; Y306-I319 HydrophobicContact CE1-CG2 4.46Å
307	N	67.8	Low	60.2	Low	77 Å²	77	47.7 Å²	47.7	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.5	179	82.6	17.6	0	0	0	112.3	D305 D309 E316	D305-N307 PolarHBondContact O-N 3.07Å; D305-N307 PolarHBondContact OD1-OD1 3.23Å; N307-D309 PolarHBondContact ND2-OD2 3.41Å; N307-D309 WeakPolarHBondContact OD1-CA 3.38Å; N307-D309 WeakPolarHBondContact OD1-CB 3.47Å; N307-D309 PolarHBondContact OD1-N 2.83Å; N307-D309 PolarHBondContact OD1-OD1 3.38Å; N307-D309 PolarHBondContact OD1-OD2 3.36Å; N307-E316 VanDerWaalsContact CB-OE1 3.29Å; N307-E316 WeakPolarHBondContact CB-OE1 3.45Å; N307-E316 PolarHBondContact ND2-OE1 3.48Å; N307-E316 PolarHBondContact OD1-OE1 3.04Å
308	G	67.1	Low	60.2	Low	61 Å²	61	50.2 Å²	50.2	63%	0.629	28%	0.278	S	S	*	.			trans	73.3	20.7	176.5	0	0	0	0	0	114.5	D305 Y306 G310	D305-G308 PolarHBondContact O-N 3.43Å; D305-G308 WeakPolarHBondContact OD1-CA 3.46Å; D305-G308 PolarHBondContact OD1-N 3.05Å; Y306-G308 VanDerWaalsContact C-N 3.34Å; G308-G310 VanDerWaalsContact C-N 3.26Å
309	D	68.6	Low	60.2	Low	83 Å²	83	49.1 Å²	49.1	44%	0.444	27%	0.274	S	S	.	.	S	Bend	trans	-84.4	-2.4	-178.3	78.5	17.4	0	0	0	113.1	D305 N307 I311	D305-D309 PolarHBondContact OD1-N 3.02Å; D305-D309 VanDerWaalsContact OD1-N 3.11Å; N307-D309 PolarHBondContact ND2-OD2 3.41Å; N307-D309 WeakPolarHBondContact OD1-CA 3.38Å; N307-D309 WeakPolarHBondContact OD1-CB 3.47Å; N307-D309 PolarHBondContact OD1-N 2.83Å; N307-D309 PolarHBondContact OD1-OD1 3.38Å; N307-D309 PolarHBondContact OD1-OD2 3.36Å; D309-I311 WeakPolarHBondContact OD1-CA 2.98Å; D309-I311 VanDerWaalsContact OD1-CB 3.25Å; D309-I311 WeakPolarHBondContact OD1-CB 3.02Å; D309-I311 PolarHBondContact OD1-N 3.47Å
310	G	57.6	Low	60.1	Low	20 Å²	20	48 Å²	48	21%	0.206	27%	0.266	C	S	.	.	S	Bend	trans	82.7	13.5	178.4	0	0	0	0	0	113.5	K269 F301 D305 G308	K269-G310 PolarHBondContact NZ-O 3.15Å; F301-G310 WeakPolarHBondContact CZ-O 3.45Å; D305-G310 WeakPolarHBondContact OD2-CA 3.21Å; D305-G310 PolarHBondContact OD2-N 3.38Å; G308-G310 VanDerWaalsContact C-N 3.26Å
311	I	53.8	Low	59.8	Low	47 Å²	47	48.5 Å²	48.5	24%	0.241	27%	0.268	C	S	.	.			trans	-143	135.1	-178.6	-48	174.3	0	0	0	108	K265 D309	K265-I311 HydrophobicContact CB-CD1 4.19Å; K265-I311 HydrophobicContact CD-CD1 3.99Å; D309-I311 WeakPolarHBondContact OD1-CA 2.98Å; D309-I311 VanDerWaalsContact OD1-CB 3.25Å; D309-I311 WeakPolarHBondContact OD1-CB 3.02Å; D309-I311 PolarHBondContact OD1-N 3.47Å
312	F	60.7	Low	59.4	Low	25 Å²	25	52.8 Å²	52.8	11%	0.11	29%	0.288	C	S	.	.			trans	-97.7	131.9	165.3	61.3	-89.6	0	0	0	110	V272 F301 I304 E316 L317	V272-F312 HydrophobicContact CB-CZ 3.97Å; V272-F312 HydrophobicContact CG1-CE1 4.21Å; V272-F312 HydrophobicContact CG1-CE2 4.49Å; V272-F312 HydrophobicContact CG1-CZ 3.5Å; V272-F312 HydrophobicContact CG2-CZ 4.22Å; F301-F312 HydrophobicContact CD2-CD1 4.43Å; F301-F312 AromaticContact CE2-CD1 3.85Å; F301-F312 HydrophobicContact CE2-CD1 3.85Å; F301-F312 AromaticContact CE2-CE1 3.96Å; F301-F312 HydrophobicContact CE2-CE1 3.96Å; F301-F312 HydrophobicContact CZ-CD1 4.26Å; I304-F312 HydrophobicContact CB-CB 4.38Å; I304-F312 HydrophobicContact CG2-CB 3.45Å; I304-F312 VanDerWaalsContact CG2-CB 3.45Å; I304-F312 HydrophobicContact CG2-CD1 4.37Å; I304-F312 HydrophobicContact CG2-CD2 4.3Å; I304-F312 HydrophobicContact CG2-CG 3.78Å; F312-E316 WeakPolarHBondContact CA-OE2 3.47Å; F312-E316 HydrophobicContact CB-CB 4.26Å; F312-L317 HydrophobicContact CD2-CB 4.45Å; F312-L317 HydrophobicContact CD2-CD1 4.46Å
313	T	57.8	Low	58.6	Low	47 Å²	47	54.5 Å²	54.5	29%	0.288	29%	0.292	S	S	.	.			trans	-83.4	158.2	170.6	56.3	0	0	0	0	110.4	S315 E316 L317	T313-S315 WeakPolarHBondContact CB-OG 3.45Å; T313-S315 PolarHBondContact O-N 3.48Å; T313-S315 PolarHBondContact OG1-OG 2.98Å; T313-E316 WeakPolarHBondContact CB-OE2 3.46Å; T313-E316 WeakPolarHBondContact CG2-OE2 3.29Å; T313-E316 PolarHBondContact N-OE2 3.21Å; T313-E316 WeakPolarHBondContact O-CB 3.45Å; T313-E316 PolarHBondContact O-N 2.78Å; T313-E316 WeakPolarHBondContact OG1-CB 3.45Å; T313-E316 WeakPolarHBondContact OG1-CG 3.34Å; T313-E316 PolarHBondContact OG1-N 3.45Å; T313-E316 PolarHBondContact OG1-OE2 2.74Å; T313-L317 PolarHBondContact O-N 3.24Å
314	P	56.3	Low	58	Low	44 Å²	44	52.1 Å²	52.1	29%	0.286	28%	0.281	S	S	.	.	H	α-helix	trans	-51.9	-34.5	168.1	-33.5	42.2	0	0	0	113.2	F248 Y258 L317 E318	F248-P314 HydrophobicContact CE1-CB 3.95Å; F248-P314 HydrophobicContact CE1-CG 4.24Å; F248-P314 HydrophobicContact CZ-CB 4.14Å; F248-P314 HydrophobicContact CZ-CG 4.21Å; Y258-P314 WeakPolarHBondContact OH-CG 3.49Å; P314-L317 PolarHBondContact O-N 2.61Å; P314-E318 VanDerWaalsContact O-CB 3.22Å; P314-E318 WeakPolarHBondContact O-CB 3.48Å; P314-E318 PolarHBondContact O-N 2.82Å
315	S	60.4	Low	57.3	Low	66 Å²	66	56.8 Å²	56.8	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-42.7	173	38.1	0	0	0	0	113.2	T313 L317 E318 I319	T313-S315 WeakPolarHBondContact CB-OG 3.45Å; T313-S315 PolarHBondContact O-N 3.48Å; T313-S315 PolarHBondContact OG1-OG 2.98Å; S315-L317 VanDerWaalsContact C-N 3.28Å; S315-L317 PolarHBondContact O-N 2.95Å; S315-E318 PolarHBondContact O-N 3.04Å; S315-I319 WeakPolarHBondContact O-CB 3.28Å; S315-I319 WeakPolarHBondContact O-CD1 3.36Å; S315-I319 WeakPolarHBondContact O-CG1 3.01Å; S315-I319 PolarHBondContact O-N 2.85Å
316	E	59.6	Low	55.9	Low	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-40.2	174.2	-85.7	159	148.8	0	0	112	Y306 N307 F312 T313 I319 F320	Y306-E316 HydrophobicContact CD1-CB 4.3Å; Y306-E316 HydrophobicContact CD1-CG 3.53Å; Y306-E316 HydrophobicContact CE1-CB 4.18Å; Y306-E316 HydrophobicContact CE1-CG 3.21Å; N307-E316 VanDerWaalsContact CB-OE1 3.29Å; N307-E316 WeakPolarHBondContact CB-OE1 3.45Å; N307-E316 PolarHBondContact ND2-OE1 3.48Å; N307-E316 PolarHBondContact OD1-OE1 3.04Å; F312-E316 WeakPolarHBondContact CA-OE2 3.47Å; F312-E316 HydrophobicContact CB-CB 4.26Å; T313-E316 WeakPolarHBondContact CB-OE2 3.46Å; T313-E316 WeakPolarHBondContact CG2-OE2 3.29Å; T313-E316 PolarHBondContact N-OE2 3.21Å; T313-E316 WeakPolarHBondContact O-CB 3.45Å; T313-E316 PolarHBondContact O-N 2.78Å; T313-E316 WeakPolarHBondContact OG1-CB 3.45Å; T313-E316 WeakPolarHBondContact OG1-CG 3.34Å; T313-E316 PolarHBondContact OG1-N 3.45Å; T313-E316 PolarHBondContact OG1-OE2 2.74Å; E316-I319 PolarHBondContact O-N 3.23Å; E316-F320 WeakPolarHBondContact O-CB 3.27Å; E316-F320 PolarHBondContact O-N 3.16Å
317	L	56.6	Low	54.6	Low	1 Å²	1	59 Å²	59	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-44.6	174.1	-166.8	72.9	0	0	0	111.6	L244 F248 I304 F312 T313 P314 S315 I319 F320 L321	L244-L317 HydrophobicContact CB-CD2 4.21Å; L244-L317 HydrophobicContact CD1-CD1 3.18Å; L244-L317 HydrophobicContact CD1-CD2 3.92Å; L244-L317 HydrophobicContact CD1-CG 3.98Å; L244-L317 HydrophobicContact CD2-CD1 3.99Å; L244-L317 HydrophobicContact CD2-CD2 3.76Å; L244-L317 HydrophobicContact CG-CD1 4.14Å; L244-L317 HydrophobicContact CG-CD2 4.18Å; F248-L317 HydrophobicContact CD2-CD2 3.69Å; F248-L317 HydrophobicContact CE2-CD2 3.02Å; F248-L317 HydrophobicContact CE2-CG 4.48Å; F248-L317 HydrophobicContact CZ-CD2 3.52Å; I304-L317 HydrophobicContact CG2-CD1 3.85Å; F312-L317 HydrophobicContact CD2-CB 4.45Å; F312-L317 HydrophobicContact CD2-CD1 4.46Å; T313-L317 PolarHBondContact O-N 3.24Å; P314-L317 PolarHBondContact O-N 2.61Å; S315-L317 VanDerWaalsContact C-N 3.28Å; S315-L317 PolarHBondContact O-N 2.95Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.98Å; L317-F320 HydrophobicContact CD1-CD1 4.48Å; L317-F320 CarbonylContact O-C 3.53Å; L317-F320 WeakPolarHBondContact O-CB 3.32Å; L317-F320 PolarHBondContact O-N 3.04Å; L317-L321 HydrophobicContact CG-CD1 4.28Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.41Å; L317-L321 WeakPolarHBondContact O-CG 3.43Å; L317-L321 PolarHBondContact O-N 3.38Å
318	E	52.2	Low	53	Low	94 Å²	94	63.9 Å²	63.9	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-41.6	177.1	-170.1	-179.3	176.1	0	0	111	P314 S315 L321 Q322	P314-E318 VanDerWaalsContact O-CB 3.22Å; P314-E318 WeakPolarHBondContact O-CB 3.48Å; P314-E318 PolarHBondContact O-N 2.82Å; S315-E318 PolarHBondContact O-N 3.04Å; E318-L321 CarbonylContact O-C 3.56Å; E318-L321 PolarHBondContact O-N 3.18Å; E318-Q322 HydrophobicContact CG-CG 4.39Å; E318-Q322 VanDerWaalsContact O-CB 3.31Å; E318-Q322 WeakPolarHBondContact O-CB 3.2Å; E318-Q322 VanDerWaalsContact O-CG 3.23Å; E318-Q322 WeakPolarHBondContact O-CG 3.29Å; E318-Q322 PolarHBondContact O-N 3.16Å; E318-Q322 PolarHBondContact OE1-NE2 2.91Å
319	I	57.7	Low	52.3	Low	73 Å²	73	64 Å²	64	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-47.1	172.6	-71.7	163	0	0	0	109.9	Y306 S315 E316 L317 L321 Q322 F323	Y306-I319 HydrophobicContact CE1-CD1 3.77Å; Y306-I319 HydrophobicContact CE1-CG2 4.46Å; S315-I319 WeakPolarHBondContact O-CB 3.28Å; S315-I319 WeakPolarHBondContact O-CD1 3.36Å; S315-I319 WeakPolarHBondContact O-CG1 3.01Å; S315-I319 PolarHBondContact O-N 2.85Å; E316-I319 PolarHBondContact O-N 3.23Å; L317-I319 VanDerWaalsContact C-N 3.32Å; L317-I319 PolarHBondContact O-N 2.98Å; I319-L321 VanDerWaalsContact C-N 3.29Å; I319-L321 PolarHBondContact O-N 3.42Å; I319-Q322 PolarHBondContact O-N 3.32Å; I319-F323 WeakPolarHBondContact O-CB 3.4Å; I319-F323 PolarHBondContact O-N 3.49Å
320	F	56.6	Low	51.4	Low	8 Å²	8	63 Å²	63	4%	0.035	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-43.5	175.1	175	-93.5	0	0	0	110.9	L237 E303 I304 E316 L317 H324	L237-F320 HydrophobicContact CD1-CE2 4.25Å; L237-F320 HydrophobicContact CD1-CZ 3.63Å; L237-F320 HydrophobicContact CG-CZ 4.13Å; E303-F320 HydrophobicContact CB-CE2 4.1Å; I304-F320 HydrophobicContact CB-CD2 4.35Å; I304-F320 HydrophobicContact CD1-CZ 4.46Å; I304-F320 HydrophobicContact CG1-CD1 4.09Å; I304-F320 HydrophobicContact CG1-CD2 3.63Å; I304-F320 HydrophobicContact CG1-CE1 4.11Å; I304-F320 HydrophobicContact CG1-CE2 3.66Å; I304-F320 HydrophobicContact CG1-CG 3.84Å; I304-F320 HydrophobicContact CG1-CZ 3.89Å; I304-F320 HydrophobicContact CG2-CB 4.4Å; E316-F320 WeakPolarHBondContact O-CB 3.27Å; E316-F320 PolarHBondContact O-N 3.16Å; L317-F320 HydrophobicContact CD1-CD1 4.48Å; L317-F320 CarbonylContact O-C 3.53Å; L317-F320 WeakPolarHBondContact O-CB 3.32Å; L317-F320 PolarHBondContact O-N 3.04Å; F320-H324 AromaticContact CD2-CE1 3.53Å; F320-H324 AromaticContact CD2-ND1 3.72Å; F320-H324 AromaticContact CE2-CE1 3.28Å; F320-H324 WeakPolarHBondContact CE2-CE1 3.04Å; F320-H324 AromaticContact CE2-ND1 3.76Å; F320-H324 AromaticContact CE2-NE2 4Å; F320-H324 AromaticContact CG-ND1 3.98Å; F320-H324 AromaticContact CZ-CE1 3.83Å; F320-H324 WeakPolarHBondContact O-CB 3.26Å; F320-H324 PolarHBondContact O-N 3.23Å; F320-H324 PolarHBondContact O-ND1 3.27Å
321	L	51.5	Low	51.1	Low	17 Å²	17	65.4 Å²	65.4	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-46.1	177.5	-67.8	174	0	0	0	111.3	Q241 L317 E318 I319 H324 E325 I326	Q241-L321 HydrophobicContact CG-CD2 4.29Å; L317-L321 HydrophobicContact CG-CD1 4.28Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.41Å; L317-L321 WeakPolarHBondContact O-CG 3.43Å; L317-L321 PolarHBondContact O-N 3.38Å; E318-L321 CarbonylContact O-C 3.56Å; E318-L321 PolarHBondContact O-N 3.18Å; I319-L321 VanDerWaalsContact C-N 3.29Å; I319-L321 PolarHBondContact O-N 3.42Å; L321-H324 CarbonylContact O-C 3.53Å; L321-H324 PolarHBondContact O-N 2.85Å; L321-E325 PolarHBondContact O-N 3.01Å; L321-I326 HydrophobicContact CB-CB 4.11Å; L321-I326 HydrophobicContact CB-CD1 4.44Å; L321-I326 HydrophobicContact CD2-CB 4.27Å; L321-I326 HydrophobicContact CD2-CD1 3.5Å; L321-I326 HydrophobicContact CD2-CG1 4.48Å; L321-I326 HydrophobicContact CD2-CG2 4.14Å; L321-I326 WeakPolarHBondContact O-CA 3.33Å; L321-I326 WeakPolarHBondContact O-CB 3.49Å; L321-I326 WeakPolarHBondContact O-CG1 3.34Å; L321-I326 PolarHBondContact O-N 3.36Å
322	Q	50.7	Low	50.9	Low	120 Å²	120	66.5 Å²	66.5	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-63.3	-43.6	177.5	-75	178.1	9.8	0	0	111.7	E318 I319 H324 E325	E318-Q322 HydrophobicContact CG-CG 4.39Å; E318-Q322 VanDerWaalsContact O-CB 3.31Å; E318-Q322 WeakPolarHBondContact O-CB 3.2Å; E318-Q322 VanDerWaalsContact O-CG 3.23Å; E318-Q322 WeakPolarHBondContact O-CG 3.29Å; E318-Q322 PolarHBondContact O-N 3.16Å; E318-Q322 PolarHBondContact OE1-NE2 2.91Å; I319-Q322 PolarHBondContact O-N 3.32Å; Q322-H324 VanDerWaalsContact C-N 3.25Å; Q322-H324 PolarHBondContact O-N 3.24Å; Q322-E325 WeakPolarHBondContact O-CA 3.44Å; Q322-E325 PolarHBondContact O-N 3.26Å
323	F	48.8	Very low	50.3	Low	126 Å²	126	69.1 Å²	69.1	55%	0.553	35%	0.352	S	S	*	.	H	α-helix	trans	-64.3	-32.6	178.3	-161.8	-93.1	0	0	0	111.6	I319 E325	I319-F323 WeakPolarHBondContact O-CB 3.4Å; I319-F323 PolarHBondContact O-N 3.49Å; F323-E325 PolarHBondContact O-N 3.17Å
324	H	48.1	Very low	49.8	Very low	28 Å²	28	70.5 Å²	70.5	13%	0.13	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	13.5	173.9	-69.8	80.5	0	0	0	113.6	N180 F320 L321 Q322 I326	N180-H324 PolarHBondContact ND2-O 3.03Å; F320-H324 AromaticContact CD2-CE1 3.53Å; F320-H324 AromaticContact CD2-ND1 3.72Å; F320-H324 AromaticContact CE2-CE1 3.28Å; F320-H324 WeakPolarHBondContact CE2-CE1 3.04Å; F320-H324 AromaticContact CE2-ND1 3.76Å; F320-H324 AromaticContact CE2-NE2 4Å; F320-H324 AromaticContact CG-ND1 3.98Å; F320-H324 AromaticContact CZ-CE1 3.83Å; F320-H324 WeakPolarHBondContact O-CB 3.26Å; F320-H324 PolarHBondContact O-N 3.23Å; F320-H324 PolarHBondContact O-ND1 3.27Å; L321-H324 CarbonylContact O-C 3.53Å; L321-H324 PolarHBondContact O-N 2.85Å; Q322-H324 VanDerWaalsContact C-N 3.25Å; Q322-H324 PolarHBondContact O-N 3.24Å; H324-I326 VanDerWaalsContact C-N 3.26Å; H324-I326 HydrophobicContact CB-CD1 3.86Å; H324-I326 HydrophobicContact CB-CG1 4.06Å; H324-I326 PolarHBondContact O-N 3.14Å
325	E	45.8	Very low	49.3	Very low	97 Å²	97	72.4 Å²	72.4	45%	0.453	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	37.4	-178.1	-68.2	-179.4	172.3	0	0	113.5	L178 L321 Q322 F323 M327	L178-E325 WeakPolarHBondContact CD2-OE2 3.46Å; L321-E325 PolarHBondContact O-N 3.01Å; Q322-E325 WeakPolarHBondContact O-CA 3.44Å; Q322-E325 PolarHBondContact O-N 3.26Å; F323-E325 PolarHBondContact O-N 3.17Å; E325-M327 PolarHBondContact O-N 3.41Å
326	I	35.4	Very low	48.5	Very low	30 Å²	30	72.9 Å²	72.9	15%	0.154	35%	0.353	C	S	.	.			trans	-93	92.1	176.5	-54.1	169.5	0	0	0	107.3	Q241 K245 L321 H324 L328	Q241-I326 HydrophobicContact CB-CD1 4.48Å; Q241-I326 HydrophobicContact CG-CD1 3.62Å; Q241-I326 VanDerWaalsContact NE2-CD1 3.28Å; K245-I326 VanDerWaalsContact CE-CG2 3.47Å; L321-I326 HydrophobicContact CB-CB 4.11Å; L321-I326 HydrophobicContact CB-CD1 4.44Å; L321-I326 HydrophobicContact CD2-CB 4.27Å; L321-I326 HydrophobicContact CD2-CD1 3.5Å; L321-I326 HydrophobicContact CD2-CG1 4.48Å; L321-I326 HydrophobicContact CD2-CG2 4.14Å; L321-I326 WeakPolarHBondContact O-CA 3.33Å; L321-I326 WeakPolarHBondContact O-CB 3.49Å; L321-I326 WeakPolarHBondContact O-CG1 3.34Å; L321-I326 PolarHBondContact O-N 3.36Å; H324-I326 VanDerWaalsContact C-N 3.26Å; H324-I326 HydrophobicContact CB-CD1 3.86Å; H324-I326 HydrophobicContact CB-CG1 4.06Å; H324-I326 PolarHBondContact O-N 3.14Å; I326-L328 PolarHBondContact O-N 3.37Å
327	M	34.4	Very low	47.5	Very low	173 Å²	173	78.9 Å²	78.9	85%	0.852	38%	0.382	S	S	*	.			trans	-61.1	132.1	161.4	-77.9	-102	-86.1	0	0	108.3	K245 E325	K245-M327 PolarHBondContact NZ-O 3.39Å; K245-M327 VanDerWaalsContact NZ-O 3.11Å; E325-M327 PolarHBondContact O-N 3.41Å
328	L	32.9	Very low	46.7	Very low	180 Å²	180	86 Å²	86	94%	0.942	42%	0.417	S	S	*	.			trans	-49.2	0	170.7	-86.2	165.8	0	0	0	110.1	K245 I326	K245-L328 PolarHBondContact NZ-OXT 3.49Å; I326-L328 PolarHBondContact O-N 3.37Å

Retrieved 328 of 328 residues in 176.2 ms (Link to these results)

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