A0A5K4EH66_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A5K4EH66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 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	46.7	Very low	50.9	Low	182 Å²	182	99.5 Å²	99.5	90%	0.897	51%	0.506	S	S	*	.				0	-57.7	0	-87	-158.2	-95	0	0	113.3	N3 F4 Y5	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.43Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.4Å; M1-Y5 HydrophobicContact CB-CD2 4.2Å; M1-Y5 HydrophobicContact CB-CE2 4.19Å; M1-Y5 HydrophobicContact CG-CE2 4.29Å; M1-Y5 VanDerWaalsContact O-CD2 3.31Å; M1-Y5 WeakPolarHBondContact O-CD2 3.39Å; M1-Y5 PolarHBondContact O-N 3.08Å; M1-Y5 HydrophobicContact SD-CE2 4Å
2	L	45.9	Very low	51.6	Low	97 Å²	97	99.6 Å²	99.6	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-51.7	-42.6	-176.3	-94	101.1	0	0	0	115.5	F4 Y5 K6 Q84	L2-F4 VanDerWaalsContact C-N 3.35Å; L2-F4 PolarHBondContact O-N 3.21Å; L2-Y5 PolarHBondContact O-N 2.98Å; L2-K6 WeakPolarHBondContact O-CG 3.33Å; L2-K6 PolarHBondContact O-N 3.42Å; L2-Q84 HydrophobicContact CD2-CG 4.31Å
3	N	49	Very low	52	Low	118 Å²	118	94.5 Å²	94.5	63%	0.631	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-33.5	178.2	-74.3	-11.7	0	0	0	113	M1 K6 L7	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.43Å; N3-K6 PolarHBondContact O-N 2.87Å; N3-L7 PolarHBondContact O-N 3.3Å; N3-L7 VanDerWaalsContact O-N 3.1Å
4	F	49.5	Very low	52.5	Low	149 Å²	149	97.2 Å²	97.2	65%	0.654	49%	0.491	S	S	*	.	H	α-helix	trans	-67	-45.6	174	-169.7	-98.2	0	0	0	110.5	M1 L2 K6 L7 T8	M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.4Å; L2-F4 VanDerWaalsContact C-N 3.35Å; L2-F4 PolarHBondContact O-N 3.21Å; F4-K6 PolarHBondContact O-N 2.84Å; F4-L7 PolarHBondContact O-N 2.67Å; F4-T8 HydrophobicContact CD1-CG2 4.13Å; F4-T8 HydrophobicContact CE1-CG2 3.77Å; F4-T8 HydrophobicContact CE2-CG2 4.36Å; F4-T8 HydrophobicContact CZ-CG2 3.9Å; F4-T8 PolarHBondContact O-N 3.46Å; F4-T8 PolarHBondContact O-OG1 3.06Å
5	Y	51.5	Low	53.3	Low	109 Å²	109	95.3 Å²	95.3	43%	0.427	49%	0.486	S	S	.	.	H	α-helix	trans	-59.8	-41.5	173.4	-82.3	-84.5	0	0	0	112.6	M1 L2 T8 F9	M1-Y5 HydrophobicContact CB-CD2 4.2Å; M1-Y5 HydrophobicContact CB-CE2 4.19Å; M1-Y5 HydrophobicContact CG-CE2 4.29Å; M1-Y5 VanDerWaalsContact O-CD2 3.31Å; M1-Y5 WeakPolarHBondContact O-CD2 3.39Å; M1-Y5 PolarHBondContact O-N 3.08Å; M1-Y5 HydrophobicContact SD-CE2 4Å; L2-Y5 PolarHBondContact O-N 2.98Å; Y5-T8 PolarHBondContact O-OG1 3.01Å; Y5-F9 AromaticContact CD1-CD2 3.92Å; Y5-F9 HydrophobicContact CD1-CD2 3.92Å; Y5-F9 AromaticContact CD1-CE2 3.66Å; Y5-F9 HydrophobicContact CD1-CE2 3.66Å; Y5-F9 HydrophobicContact CE1-CE2 4.06Å; Y5-F9 WeakPolarHBondContact O-CB 3.4Å; Y5-F9 PolarHBondContact O-N 2.78Å
6	K	50.4	Low	53.8	Low	78 Å²	78	95.6 Å²	95.6	34%	0.339	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-47	175.3	-78.2	-176.5	174.2	-163.7	0	111.9	L2 N3 F4 S10 F80	L2-K6 WeakPolarHBondContact O-CG 3.33Å; L2-K6 PolarHBondContact O-N 3.42Å; N3-K6 PolarHBondContact O-N 2.87Å; F4-K6 PolarHBondContact O-N 2.84Å; K6-S10 WeakPolarHBondContact O-CB 3.25Å; K6-S10 PolarHBondContact O-N 3.13Å; K6-S10 VanDerWaalsContact O-N 3.12Å; K6-F80 HydrophobicContact CB-CE1 4.32Å; K6-F80 HydrophobicContact CG-CD1 4.12Å; K6-F80 HydrophobicContact CG-CE1 3.8Å
7	L	50.5	Low	54.3	Low	131 Å²	131	91.5 Å²	91.5	69%	0.686	46%	0.463	S	S	*	.	H	α-helix	trans	-70.1	-47.2	-178.9	-87.2	148.1	0	0	0	112.5	N3 F4 S11	N3-L7 PolarHBondContact O-N 3.3Å; N3-L7 VanDerWaalsContact O-N 3.1Å; F4-L7 PolarHBondContact O-N 2.67Å; L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.29Å; L7-S11 PolarHBondContact O-N 3.12Å
8	T	52.6	Low	54.6	Low	47 Å²	47	88.6 Å²	88.6	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-69.6	-42.4	-177.3	51.7	0	0	0	0	112.5	F4 Y5 S11 I12	F4-T8 HydrophobicContact CD1-CG2 4.13Å; F4-T8 HydrophobicContact CE1-CG2 3.77Å; F4-T8 HydrophobicContact CE2-CG2 4.36Å; F4-T8 HydrophobicContact CZ-CG2 3.9Å; F4-T8 PolarHBondContact O-N 3.46Å; F4-T8 PolarHBondContact O-OG1 3.06Å; Y5-T8 PolarHBondContact O-OG1 3.01Å; T8-S11 PolarHBondContact O-N 3.01Å; T8-I12 WeakPolarHBondContact O-CG1 3.47Å; T8-I12 PolarHBondContact O-N 3.45Å
9	F	53.1	Low	55.3	Low	55 Å²	55	87.8 Å²	87.8	24%	0.241	45%	0.448	C	S	.	.	H	α-helix	trans	-75.1	-39	-179.9	-84.8	-91.5	0	0	0	112.7	Y5 S11 I12 T13 F97 H101	Y5-F9 AromaticContact CD1-CD2 3.92Å; Y5-F9 HydrophobicContact CD1-CD2 3.92Å; Y5-F9 AromaticContact CD1-CE2 3.66Å; Y5-F9 HydrophobicContact CD1-CE2 3.66Å; Y5-F9 HydrophobicContact CE1-CE2 4.06Å; Y5-F9 WeakPolarHBondContact O-CB 3.4Å; Y5-F9 PolarHBondContact O-N 2.78Å; F9-S11 PolarHBondContact O-N 3.08Å; F9-I12 PolarHBondContact O-N 2.87Å; F9-T13 PolarHBondContact O-N 3.29Å; F9-T13 PolarHBondContact O-OG1 3.43Å; F9-F97 HydrophobicContact CZ-CE1 4.49Å; F9-H101 AromaticContact CD1-CD2 3.91Å; F9-H101 AromaticContact CD1-NE2 3.83Å; F9-H101 AromaticContact CE1-CD2 3.61Å; F9-H101 AromaticContact CE1-NE2 3.9Å
10	S	54.8	Low	55.7	Low	59 Å²	59	83.8 Å²	83.8	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-59	-39.5	172.5	-172.9	0	0	0	0	110.7	K6 T13 F14	K6-S10 WeakPolarHBondContact O-CB 3.25Å; K6-S10 PolarHBondContact O-N 3.13Å; K6-S10 VanDerWaalsContact O-N 3.12Å; S10-T13 PolarHBondContact O-OG1 2.88Å; S10-F14 WeakPolarHBondContact O-CB 3.31Å; S10-F14 PolarHBondContact O-N 2.98Å
11	S	56.1	Low	55.9	Low	69 Å²	69	82.3 Å²	82.3	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-47.4	175.7	179.6	0	0	0	0	112	L7 T8 F9 F14 T15	L7-S11 VanDerWaalsContact O-CB 3.3Å; L7-S11 WeakPolarHBondContact O-CB 3.29Å; L7-S11 PolarHBondContact O-N 3.12Å; T8-S11 PolarHBondContact O-N 3.01Å; F9-S11 PolarHBondContact O-N 3.08Å; S11-F14 PolarHBondContact O-N 3.39Å; S11-T15 WeakPolarHBondContact O-CB 3.33Å; S11-T15 PolarHBondContact O-N 3Å; S11-T15 PolarHBondContact O-OG1 2.91Å
12	I	59.3	Low	56.7	Low	101 Å²	101	78.5 Å²	78.5	52%	0.518	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-46	-178	-66.8	163.2	0	0	0	111.7	T8 F9 F14 T15 F16	T8-I12 WeakPolarHBondContact O-CG1 3.47Å; T8-I12 PolarHBondContact O-N 3.45Å; F9-I12 PolarHBondContact O-N 2.87Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-T15 PolarHBondContact O-N 2.83Å; I12-F16 PolarHBondContact O-N 2.75Å
13	T	56.7	Low	57.4	Low	33 Å²	33	76 Å²	76	20%	0.202	39%	0.391	C	S	.	.	H	α-helix	trans	-68	-36	178.4	50.7	0	0	0	0	112.3	F9 S10 L17 Y75 F104	F9-T13 PolarHBondContact O-N 3.29Å; F9-T13 PolarHBondContact O-OG1 3.43Å; S10-T13 PolarHBondContact O-OG1 2.88Å; T13-L17 VanDerWaalsContact O-CB 3.28Å; T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 PolarHBondContact O-N 3.08Å; T13-Y75 HydrophobicContact CG2-CD1 4.1Å; T13-Y75 HydrophobicContact CG2-CE1 3.52Å; T13-Y75 HydrophobicContact CG2-CE2 4.28Å; T13-F104 HydrophobicContact CG2-CE1 4.04Å
14	F	59.2	Low	57.9	Low	133 Å²	133	71.2 Å²	71.2	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-67.6	-42.2	174.8	-172	-99.3	0	0	0	111	S10 S11 I12 F16 L17 C18	S10-F14 WeakPolarHBondContact O-CB 3.31Å; S10-F14 PolarHBondContact O-N 2.98Å; S11-F14 PolarHBondContact O-N 3.39Å; I12-F14 VanDerWaalsContact C-N 3.34Å; F14-F16 PolarHBondContact O-N 3.41Å; F14-L17 PolarHBondContact O-N 2.91Å; F14-C18 WeakPolarHBondContact CE1-SG 3.4Å; F14-C18 VanDerWaalsContact CZ-SG 3.59Å; F14-C18 WeakPolarHBondContact O-CB 3.39Å; F14-C18 PolarHBondContact O-N 3.49Å; F14-C18 PolarHBondContact O-SG 3.03Å
15	T	63.5	Low	58.1	Low	68 Å²	68	67.7 Å²	67.7	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-45.2	174.7	-60.3	0	0	0	0	111.2	S11 I12 L17 C18 I19	S11-T15 WeakPolarHBondContact O-CB 3.33Å; S11-T15 PolarHBondContact O-N 3Å; S11-T15 PolarHBondContact O-OG1 2.91Å; I12-T15 PolarHBondContact O-N 2.83Å; T15-L17 PolarHBondContact O-N 3.2Å; T15-C18 PolarHBondContact O-N 3.21Å; T15-I19 HydrophobicContact CG2-CD1 3.69Å; T15-I19 HydrophobicContact CG2-CG1 4.32Å; T15-I19 WeakPolarHBondContact O-CB 3.44Å; T15-I19 WeakPolarHBondContact O-CD1 3.35Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 3.44Å
16	F	61.9	Low	58.2	Low	100 Å²	100	66.5 Å²	66.5	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178	-133.4	-88.8	0	0	0	112.1	I12 F14 T20	I12-F16 PolarHBondContact O-N 2.75Å; F14-F16 PolarHBondContact O-N 3.41Å; F16-T20 WeakPolarHBondContact O-CB 3.43Å; F16-T20 PolarHBondContact O-N 3.3Å; F16-T20 PolarHBondContact O-OG1 3.12Å
17	L	62.1	Low	58.3	Low	27 Å²	27	65.5 Å²	65.5	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-44.8	175.1	-172.3	68.4	0	0	0	111.4	T13 F14 T15 T20 L21 L68 S72	T13-L17 VanDerWaalsContact O-CB 3.28Å; T13-L17 WeakPolarHBondContact O-CB 3.26Å; T13-L17 PolarHBondContact O-N 3.08Å; F14-L17 PolarHBondContact O-N 2.91Å; T15-L17 PolarHBondContact O-N 3.2Å; L17-T20 CarbonylContact O-C 3.52Å; L17-T20 PolarHBondContact O-N 2.82Å; L17-L21 HydrophobicContact CD1-CD1 4.46Å; L17-L21 HydrophobicContact CD2-CD1 4.28Å; L17-L21 HydrophobicContact CG-CD1 3.9Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.12Å; L17-L68 HydrophobicContact CD1-CB 3.99Å; L17-S72 WeakPolarHBondContact CD1-OG 3.31Å; L17-S72 VanDerWaalsContact CD2-OG 3.24Å; L17-S72 WeakPolarHBondContact CD2-OG 2.87Å
18	C	60.1	Low	58.3	Low	39 Å²	39	60 Å²	60	26%	0.264	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.2	-79	0	0	0	0	111.2	F14 T15 T20 L21 L22	F14-C18 WeakPolarHBondContact CE1-SG 3.4Å; F14-C18 VanDerWaalsContact CZ-SG 3.59Å; F14-C18 WeakPolarHBondContact O-CB 3.39Å; F14-C18 PolarHBondContact O-N 3.49Å; F14-C18 PolarHBondContact O-SG 3.03Å; T15-C18 PolarHBondContact O-N 3.21Å; C18-T20 VanDerWaalsContact C-N 3.34Å; C18-L21 PolarHBondContact O-N 3.28Å; C18-L22 WeakPolarHBondContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CD1 3.39Å; C18-L22 WeakPolarHBondContact O-CG 3.32Å; C18-L22 PolarHBondContact O-N 3.33Å
19	I	68.8	Low	57.9	Low	73 Å²	73	64 Å²	64	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-49.7	173.1	-69.8	166.5	0	0	0	109	T15 L21 L22 D23 W112	T15-I19 HydrophobicContact CG2-CD1 3.69Å; T15-I19 HydrophobicContact CG2-CG1 4.32Å; T15-I19 WeakPolarHBondContact O-CB 3.44Å; T15-I19 WeakPolarHBondContact O-CD1 3.35Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 3.44Å; I19-L21 PolarHBondContact O-N 3.37Å; I19-L22 CarbonylContact O-C 3.56Å; I19-L22 PolarHBondContact O-N 3.47Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.4Å; I19-D23 WeakPolarHBondContact O-CB 3.4Å; I19-D23 PolarHBondContact O-N 2.96Å; I19-W112 HydrophobicContact CG2-CH2 3.94Å; I19-W112 HydrophobicContact CG2-CZ3 4.15Å
20	T	62.3	Low	57.6	Low	7 Å²	7	67.3 Å²	67.3	4%	0.043	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-39.5	-180	-46.6	0	0	0	0	113	F16 L17 C18 I24 L68 W112 Y116	F16-T20 WeakPolarHBondContact O-CB 3.43Å; F16-T20 PolarHBondContact O-N 3.3Å; F16-T20 PolarHBondContact O-OG1 3.12Å; L17-T20 CarbonylContact O-C 3.52Å; L17-T20 PolarHBondContact O-N 2.82Å; C18-T20 VanDerWaalsContact C-N 3.34Å; T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.32Å; T20-I24 PolarHBondContact O-N 2.79Å; T20-L68 HydrophobicContact CG2-CD1 3.39Å; T20-L68 HydrophobicContact CG2-CD2 4.05Å; T20-L68 HydrophobicContact CG2-CG 4.38Å; T20-W112 HydrophobicContact CG2-CE3 3.87Å; T20-W112 HydrophobicContact CG2-CZ3 3.96Å; T20-Y116 HydrophobicContact CG2-CE2 4.22Å; T20-Y116 PolarHBondContact O-OH 3.23Å
21	L	60.9	Low	57	Low	54 Å²	54	65.8 Å²	65.8	28%	0.283	36%	0.36	S	S	.	.	H	α-helix	trans	-70.2	-39	175.8	-72.2	171.1	0	0	0	111.7	L17 C18 I19 I24 C25	L17-L21 HydrophobicContact CD1-CD1 4.46Å; L17-L21 HydrophobicContact CD2-CD1 4.28Å; L17-L21 HydrophobicContact CG-CD1 3.9Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.12Å; C18-L21 PolarHBondContact O-N 3.28Å; I19-L21 PolarHBondContact O-N 3.37Å; L21-I24 HydrophobicContact CD2-CD1 4.35Å; L21-I24 WeakPolarHBondContact O-CB 3.25Å; L21-I24 PolarHBondContact O-N 2.96Å; L21-C25 PolarHBondContact O-N 2.89Å; L21-C25 PolarHBondContact O-SG 2.69Å; L21-C25 VanDerWaalsContact O-SG 3.37Å
22	L	61.7	Low	56.4	Low	102 Å²	102	66.9 Å²	66.9	53%	0.534	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-42.6	174.1	-75.2	168.3	0	0	0	110.6	C18 I19 I24 C25 D26	C18-L22 WeakPolarHBondContact O-CB 3.32Å; C18-L22 WeakPolarHBondContact O-CD1 3.39Å; C18-L22 WeakPolarHBondContact O-CG 3.32Å; C18-L22 PolarHBondContact O-N 3.33Å; I19-L22 CarbonylContact O-C 3.56Å; I19-L22 PolarHBondContact O-N 3.47Å; L22-I24 VanDerWaalsContact C-N 3.31Å; L22-I24 PolarHBondContact O-N 3.42Å; L22-C25 CarbonylContact O-C 3.48Å; L22-C25 WeakPolarHBondContact O-CA 3.23Å; L22-C25 WeakPolarHBondContact O-CB 3.45Å; L22-C25 PolarHBondContact O-N 3.41Å; L22-C25 VanDerWaalsContact O-N 3.14Å; L22-D26 WeakPolarHBondContact O-CB 3.42Å; L22-D26 PolarHBondContact O-N 3.42Å
23	D	62.2	Low	55.2	Low	45 Å²	45	71.7 Å²	71.7	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-68.4	-28.4	174.7	-78	-73.7	0	0	0	112.5	I19 N27 W112 Y116	I19-D23 WeakPolarHBondContact CG2-OD2 3.4Å; I19-D23 WeakPolarHBondContact O-CB 3.4Å; I19-D23 PolarHBondContact O-N 2.96Å; D23-N27 WeakPolarHBondContact O-CB 3.21Å; D23-N27 PolarHBondContact O-N 3.12Å; D23-N27 PolarHBondContact O-ND2 2.89Å; D23-W112 HydrophobicContact CB-CH2 3.8Å; D23-W112 HydrophobicContact CB-CZ3 4.28Å; D23-W112 WeakPolarHBondContact OD2-CH2 3.5Å; D23-Y116 HydrophobicContact CB-CE1 4.12Å; D23-Y116 HydrophobicContact CB-CE2 4.35Å; D23-Y116 WeakPolarHBondContact CB-OH 3.15Å
24	I	57.9	Low	54.3	Low	17 Å²	17	73.9 Å²	73.9	9%	0.087	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-50.7	169.1	-74.5	168.3	0	0	0	107.7	T20 L21 L22 V28 A61 A65 L68 Y116	T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.32Å; T20-I24 PolarHBondContact O-N 2.79Å; L21-I24 HydrophobicContact CD2-CD1 4.35Å; L21-I24 WeakPolarHBondContact O-CB 3.25Å; L21-I24 PolarHBondContact O-N 2.96Å; L22-I24 VanDerWaalsContact C-N 3.31Å; L22-I24 PolarHBondContact O-N 3.42Å; I24-V28 HydrophobicContact CG2-CG2 4.3Å; I24-V28 VanDerWaalsContact O-CB 3.25Å; I24-V28 WeakPolarHBondContact O-CB 3.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.47Å; I24-V28 PolarHBondContact O-N 3.21Å; I24-A61 HydrophobicContact CG2-CB 3.85Å; I24-A65 HydrophobicContact CD1-CB 4.38Å; I24-L68 HydrophobicContact CD1-CD1 3.37Å; I24-Y116 WeakPolarHBondContact CA-OH 3.46Å; I24-Y116 WeakPolarHBondContact CG1-OH 3.38Å; I24-Y116 PolarHBondContact N-OH 3.31Å
25	C	54.3	Low	53.1	Low	74 Å²	74	77.4 Å²	77.4	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-47.3	178.3	-71.6	0	0	0	0	111.6	L21 L22 V28 M29	L21-C25 PolarHBondContact O-N 2.89Å; L21-C25 PolarHBondContact O-SG 2.69Å; L21-C25 VanDerWaalsContact O-SG 3.37Å; L22-C25 CarbonylContact O-C 3.48Å; L22-C25 WeakPolarHBondContact O-CA 3.23Å; L22-C25 WeakPolarHBondContact O-CB 3.45Å; L22-C25 PolarHBondContact O-N 3.41Å; L22-C25 VanDerWaalsContact O-N 3.14Å; C25-V28 WeakPolarHBondContact O-CB 3.42Å; C25-V28 PolarHBondContact O-N 3.39Å; C25-M29 WeakPolarHBondContact O-CB 3.2Å; C25-M29 WeakPolarHBondContact O-CG 3.32Å; C25-M29 PolarHBondContact O-N 3.43Å
26	D	53.9	Low	51.9	Low	84 Å²	84	79.7 Å²	79.7	45%	0.449	41%	0.406	S	S	.	.	H	α-helix	trans	-70.6	-37.6	-176.9	-77.7	-15.9	0	0	0	112	L22 M29 N30	L22-D26 WeakPolarHBondContact O-CB 3.42Å; L22-D26 PolarHBondContact O-N 3.42Å; D26-M29 PolarHBondContact O-N 3.15Å; D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 2.71Å; D26-N30 PolarHBondContact O-ND2 2.7Å
27	N	53.5	Low	50.7	Low	58 Å²	58	81.6 Å²	81.6	31%	0.31	42%	0.419	S	S	.	.	H	α-helix	trans	-74.4	-29.7	173.9	-78.3	-69.7	0	0	0	112.6	D23 M29 G31 Y116	D23-N27 WeakPolarHBondContact O-CB 3.21Å; D23-N27 PolarHBondContact O-N 3.12Å; D23-N27 PolarHBondContact O-ND2 2.89Å; N27-M29 VanDerWaalsContact C-N 3.29Å; N27-G31 WeakPolarHBondContact O-CA 3.46Å; N27-G31 PolarHBondContact O-N 2.79Å; N27-Y116 HydrophobicContact CB-CE1 4.2Å; N27-Y116 WeakPolarHBondContact ND2-CD1 3.47Å; N27-Y116 WeakPolarHBondContact ND2-CE1 3.42Å
28	V	50.5	Low	49.5	Very low	16 Å²	16	88.3 Å²	88.3	10%	0.097	44%	0.444	C	S	.	.	H	α-helix	trans	-62.2	-41.8	168.1	165.6	0	0	0	0	109.6	I24 C25 K57 A61	I24-V28 HydrophobicContact CG2-CG2 4.3Å; I24-V28 VanDerWaalsContact O-CB 3.25Å; I24-V28 WeakPolarHBondContact O-CB 3.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.47Å; I24-V28 PolarHBondContact O-N 3.21Å; C25-V28 WeakPolarHBondContact O-CB 3.42Å; C25-V28 PolarHBondContact O-N 3.39Å; V28-K57 HydrophobicContact CG1-CB 3.99Å; V28-K57 VanDerWaalsContact O-CD 3.25Å; V28-K57 WeakPolarHBondContact O-CD 3.45Å; V28-A61 HydrophobicContact CG2-CB 3.64Å
29	M	44.1	Very low	48.3	Very low	129 Å²	129	93.7 Å²	93.7	64%	0.635	47%	0.469	S	S	*	.	H	α-helix	trans	-77.8	-31.5	-179.4	-65.1	-69	-70.5	0	0	113.8	C25 D26 N27	C25-M29 WeakPolarHBondContact O-CB 3.2Å; C25-M29 WeakPolarHBondContact O-CG 3.32Å; C25-M29 PolarHBondContact O-N 3.43Å; D26-M29 PolarHBondContact O-N 3.15Å; N27-M29 VanDerWaalsContact C-N 3.29Å
30	N	46.4	Very low	46.6	Very low	126 Å²	126	95.6 Å²	95.6	67%	0.674	49%	0.486	S	S	*	.	H	α-helix	trans	-111.2	-0.7	-171.8	-65.7	-44.5	0	0	0	114.9	D26 N32	D26-N30 WeakPolarHBondContact O-CB 3.34Å; D26-N30 PolarHBondContact O-N 2.71Å; D26-N30 PolarHBondContact O-ND2 2.7Å; N30-N32 PolarHBondContact O-N 3.25Å; N30-N32 VanDerWaalsContact O-N 3.09Å
31	G	42.4	Very low	45.5	Very low	27 Å²	27	102.8 Å²	102.8	28%	0.278	53%	0.525	S	S	.	.	S	Bend	trans	-69.9	102.3	-175.8	0	0	0	0	0	114.5	N27	N27-G31 WeakPolarHBondContact O-CA 3.46Å; N27-G31 PolarHBondContact O-N 2.79Å
32	N	43.8	Very low	44.9	Very low	91 Å²	91	103.2 Å²	103.2	49%	0.487	53%	0.529	S	S	.	.			trans	58	94.9	164.2	-67	-29.9	0	0	0	117	N30 M34	N30-N32 PolarHBondContact O-N 3.25Å; N30-N32 VanDerWaalsContact O-N 3.09Å; N32-M34 VanDerWaalsContact C-N 3.32Å; N32-M34 PolarHBondContact O-N 3.26Å
33	Q	32.6	Very low	44	Very low	203 Å²	203	108.6 Å²	108.6	95%	0.949	54%	0.544	S	S	*	.			trans	-58.4	95.9	153.3	-72.6	-136.8	-23	0	0	109.9	K35	Q33-K35 PolarHBondContact O-N 2.95Å
34	M	39.2	Very low	43.1	Very low	78 Å²	78	111.6 Å²	111.6	38%	0.384	57%	0.568	S	S	.	*			trans	-67.6	116.4	164	-79.3	-102.9	-74.7	0	0	108.2	N32 Y36 M190	N32-M34 VanDerWaalsContact C-N 3.32Å; N32-M34 PolarHBondContact O-N 3.26Å; M34-Y36 HydrophobicContact CB-CD2 4.08Å; M34-Y36 HydrophobicContact CB-CE2 3.77Å; M34-Y36 HydrophobicContact CE-CE1 4.17Å; M34-Y36 WeakPolarHBondContact O-CD2 3.43Å; M34-Y36 PolarHBondContact O-N 3.33Å; M34-M190 HydrophobicContact CE-CB 3.76Å; M34-M190 HydrophobicContact CE-CE 4.08Å; M34-M190 HydrophobicContact SD-CB 4.38Å
35	K	32.2	Very low	42.5	Very low	208 Å²	208	117.8 Å²	117.8	90%	0.904	59%	0.594	S	S	*	*			trans	-63.2	88.5	157.1	-91.6	-179.7	172	177.9	0	107.4	Q33 I37	Q33-K35 PolarHBondContact O-N 2.95Å; K35-I37 PolarHBondContact O-N 3.15Å
36	Y	39.1	Very low	42.5	Very low	116 Å²	116	117.3 Å²	117.3	46%	0.455	59%	0.585	S	S	.	*			trans	-63.4	125.3	158.6	-69.2	-83.4	0	0	0	106.9	M34 Y38 Q53	M34-Y36 HydrophobicContact CB-CD2 4.08Å; M34-Y36 HydrophobicContact CB-CE2 3.77Å; M34-Y36 HydrophobicContact CE-CE1 4.17Å; M34-Y36 WeakPolarHBondContact O-CD2 3.43Å; M34-Y36 PolarHBondContact O-N 3.33Å; Y36-Y38 PolarHBondContact O-N 3.24Å; Y36-Q53 PolarHBondContact OH-NE2 3.35Å
37	I	36.5	Very low	42.3	Very low	139 Å²	139	123.3 Å²	123.3	71%	0.713	60%	0.601	S	S	*	*			trans	-63.4	107.3	161.2	-64.7	172.5	0	0	0	104.8	K35 L39	K35-I37 PolarHBondContact O-N 3.15Å; I37-L39 PolarHBondContact O-N 3.29Å
38	Y	36.5	Very low	42.1	Very low	169 Å²	169	126.3 Å²	126.3	66%	0.663	62%	0.617	S	S	*	*			trans	-60.7	114.9	179.4	-96.5	-98.5	0	0	0	109.4	Y36 H46	Y36-Y38 PolarHBondContact O-N 3.24Å; Y38-H46 AromaticContact CE1-NE2 3.82Å; Y38-H46 AromaticContact CZ-NE2 3.54Å; Y38-H46 PolarHBondContact OH-NE2 2.88Å
39	L	35.3	Very low	42.9	Very low	152 Å²	152	127.5 Å²	127.5	80%	0.796	63%	0.626	S	S	*	*			trans	-79.7	125.8	152.8	-75.6	169	0	0	0	107.3	I37 D41	I37-L39 PolarHBondContact O-N 3.29Å; L39-D41 PolarHBondContact O-N 3.29Å
40	P	32.6	Very low	44.1	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	62%	0.615	S	S	*	*	S	Bend	trans	-83.1	83.6	-172	32.9	-31.8	0	0	0	109.7
41	D	40.1	Very low	45.3	Very low	158 Å²	158	123.2 Å²	123.2	85%	0.845	61%	0.61	S	S	*	*	S	Bend	trans	-163.7	18.5	165.5	-111	-17.5	0	0	0	117.6	L39	L39-D41 PolarHBondContact O-N 3.29Å
42	V	47.9	Very low	46.9	Very low	62 Å²	62	126 Å²	126	38%	0.376	62%	0.622	S	S	.	*			trans	-143.4	70.2	-165.2	-163.6	0	0	0	0	114	K45	V42-K45 HydrophobicContact CG1-CB 3.22Å; V42-K45 HydrophobicContact CG1-CD 3.48Å; V42-K45 VanDerWaalsContact CG1-CD 3.48Å; V42-K45 HydrophobicContact CG1-CG 3.3Å
43	Y	43.3	Very low	48.2	Very low	216 Å²	216	124.8 Å²	124.8	85%	0.847	61%	0.613	S	S	*	*	H	α-helix	trans	-77.1	-32.2	175.9	-140.2	-98.1	0	0	0	112.9	H46	Y43-H46 WeakPolarHBondContact O-CB 3.48Å
44	S	43.6	Very low	50.3	Low	107 Å²	107	118 Å²	118	75%	0.748	58%	0.581	S	S	*	*	H	α-helix	trans	-82.3	-37.6	-178	62.2	0	0	0	0	114.2	H46	S44-H46 PolarHBondContact O-N 3Å
45	K	44.5	Very low	52.3	Low	147 Å²	147	119.2 Å²	119.2	64%	0.639	59%	0.589	S	S	*	*	H	α-helix	trans	-70.1	-15.9	172.2	-43.8	175.2	176.9	166.6	0	112.3	V42 L48 S49	V42-K45 HydrophobicContact CG1-CB 3.22Å; V42-K45 HydrophobicContact CG1-CD 3.48Å; V42-K45 VanDerWaalsContact CG1-CD 3.48Å; V42-K45 HydrophobicContact CG1-CG 3.3Å; K45-L48 PolarHBondContact O-N 3.15Å; K45-S49 WeakPolarHBondContact O-CB 3.34Å; K45-S49 PolarHBondContact O-N 2.79Å; K45-S49 PolarHBondContact O-OG 2.57Å
46	H	53.9	Low	54.6	Low	65 Å²	65	112.8 Å²	112.8	30%	0.301	57%	0.57	S	S	.	*	H	α-helix	trans	-65.5	-40.9	-179.6	-146.9	-57.5	0	0	0	112.7	Y38 Y43 S44 S49 I50	Y38-H46 AromaticContact CE1-NE2 3.82Å; Y38-H46 AromaticContact CZ-NE2 3.54Å; Y38-H46 PolarHBondContact OH-NE2 2.88Å; Y43-H46 WeakPolarHBondContact O-CB 3.48Å; S44-H46 PolarHBondContact O-N 3Å; H46-S49 WeakPolarHBondContact CA-OG 3.47Å; H46-S49 PolarHBondContact O-N 2.85Å; H46-S49 PolarHBondContact O-OG 2.72Å; H46-I50 WeakPolarHBondContact O-CG1 3.42Å; H46-I50 PolarHBondContact O-N 2.89Å; H46-I50 VanDerWaalsContact O-N 3.12Å
47	R	51.3	Low	56.5	Low	209 Å²	209	110 Å²	110	79%	0.789	56%	0.56	S	S	*	*	H	α-helix	trans	-69	-41.8	177.2	-75.9	-169.1	-178.7	-133.2	2.5	112.6	S49 I50 C51	R47-S49 VanDerWaalsContact C-N 3.28Å; R47-S49 PolarHBondContact O-N 3.22Å; R47-I50 PolarHBondContact O-N 3.26Å; R47-C51 PolarHBondContact O-N 3.01Å; R47-C51 VanDerWaalsContact O-N 3.17Å
48	L	49.3	Very low	58.8	Low	122 Å²	122	109.3 Å²	109.3	64%	0.639	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-39.3	175.1	-173.6	63.2	0	0	0	110.7	K45 I50 C51 V52	K45-L48 PolarHBondContact O-N 3.15Å; L48-I50 PolarHBondContact O-N 2.89Å; L48-C51 PolarHBondContact O-N 2.83Å; L48-V52 HydrophobicContact CD1-CG2 4.29Å; L48-V52 HydrophobicContact CG-CG2 4.35Å; L48-V52 WeakPolarHBondContact O-CB 3.21Å; L48-V52 WeakPolarHBondContact O-CG2 3.48Å; L48-V52 PolarHBondContact O-N 3.38Å
49	S	67.4	Low	61.2	Low	41 Å²	41	104.4 Å²	104.4	29%	0.287	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-39.1	177.1	75.7	0	0	0	0	113.1	K45 H46 R47 Q53	K45-S49 WeakPolarHBondContact O-CB 3.34Å; K45-S49 PolarHBondContact O-N 2.79Å; K45-S49 PolarHBondContact O-OG 2.57Å; H46-S49 WeakPolarHBondContact CA-OG 3.47Å; H46-S49 PolarHBondContact O-N 2.85Å; H46-S49 PolarHBondContact O-OG 2.72Å; R47-S49 VanDerWaalsContact C-N 3.28Å; R47-S49 PolarHBondContact O-N 3.22Å; S49-Q53 VanDerWaalsContact O-CB 3.29Å; S49-Q53 WeakPolarHBondContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CG 3.47Å; S49-Q53 PolarHBondContact O-N 3.31Å
50	I	68.7	Low	63.7	Low	80 Å²	80	99.2 Å²	99.2	41%	0.41	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-49.1	178.1	-66.2	163.2	0	0	0	110.2	H46 R47 L48 V52 Q53 E54	H46-I50 WeakPolarHBondContact O-CG1 3.42Å; H46-I50 PolarHBondContact O-N 2.89Å; H46-I50 VanDerWaalsContact O-N 3.12Å; R47-I50 PolarHBondContact O-N 3.26Å; L48-I50 PolarHBondContact O-N 2.89Å; I50-V52 VanDerWaalsContact C-N 3.33Å; I50-V52 PolarHBondContact O-N 3.39Å; I50-Q53 PolarHBondContact O-N 3.36Å; I50-Q53 VanDerWaalsContact O-N 3.16Å; I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.46Å; I50-E54 PolarHBondContact O-N 2.88Å
51	C	70.6	Confident	66.5	Low	85 Å²	85	94.1 Å²	94.1	57%	0.574	49%	0.486	S	S	*	.	H	α-helix	trans	-60.4	-43.3	179.4	-173.4	0	0	0	0	111.8	R47 L48 E54 L55	R47-C51 PolarHBondContact O-N 3.01Å; R47-C51 VanDerWaalsContact O-N 3.17Å; L48-C51 PolarHBondContact O-N 2.83Å; C51-E54 PolarHBondContact O-N 3.29Å; C51-L55 VanDerWaalsContact O-CB 3.29Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 PolarHBondContact O-N 2.75Å
52	V	76.2	Confident	69	Low	85 Å²	85	90.1 Å²	90.1	52%	0.515	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.1	172	0	0	0	0	111.6	L48 I50 S56	L48-V52 HydrophobicContact CD1-CG2 4.29Å; L48-V52 HydrophobicContact CG-CG2 4.35Å; L48-V52 WeakPolarHBondContact O-CB 3.21Å; L48-V52 WeakPolarHBondContact O-CG2 3.48Å; L48-V52 PolarHBondContact O-N 3.38Å; I50-V52 VanDerWaalsContact C-N 3.33Å; I50-V52 PolarHBondContact O-N 3.39Å; V52-S56 VanDerWaalsContact O-CB 3.22Å; V52-S56 WeakPolarHBondContact O-CB 3.43Å; V52-S56 PolarHBondContact O-N 3.43Å
53	Q	71.7	Confident	71.3	Confident	66 Å²	66	88.6 Å²	88.6	31%	0.308	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-48.6	176.2	-78.2	169.7	10.5	0	0	111.7	Y36 S49 I50 S56 K57	Y36-Q53 PolarHBondContact OH-NE2 3.35Å; S49-Q53 VanDerWaalsContact O-CB 3.29Å; S49-Q53 WeakPolarHBondContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CG 3.47Å; S49-Q53 PolarHBondContact O-N 3.31Å; I50-Q53 PolarHBondContact O-N 3.36Å; I50-Q53 VanDerWaalsContact O-N 3.16Å; Q53-S56 WeakPolarHBondContact O-CB 3.31Å; Q53-S56 PolarHBondContact O-N 3.1Å; Q53-K57 WeakPolarHBondContact O-CG 3.3Å; Q53-K57 PolarHBondContact O-N 3.47Å
54	E	76.7	Confident	73.7	Confident	60 Å²	60	78.4 Å²	78.4	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-43.2	178.9	-64.7	-48.8	128.5	0	0	111.6	I50 C51 S56 K57 F58	I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.46Å; I50-E54 PolarHBondContact O-N 2.88Å; C51-E54 PolarHBondContact O-N 3.29Å; E54-S56 VanDerWaalsContact C-N 3.31Å; E54-S56 PolarHBondContact O-N 2.83Å; E54-K57 PolarHBondContact O-N 2.84Å; E54-K57 IonicContact OE1-NZ 3.44Å; E54-K57 PolarHBondContact OE1-NZ 2.72Å; E54-K57 IonicContact OE2-NZ 3.53Å; E54-F58 PolarHBondContact O-N 3.44Å
55	L	81.9	Confident	76	Confident	103 Å²	103	74.4 Å²	74.4	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-41.9	173.1	-178.7	62.6	0	0	0	111.6	C51 K57 F58 C59	C51-L55 VanDerWaalsContact O-CB 3.29Å; C51-L55 WeakPolarHBondContact O-CB 3.35Å; C51-L55 PolarHBondContact O-N 2.75Å; L55-K57 PolarHBondContact O-N 3.36Å; L55-F58 PolarHBondContact O-N 2.94Å; L55-C59 WeakPolarHBondContact O-CB 3.34Å; L55-C59 PolarHBondContact O-N 2.64Å; L55-C59 PolarHBondContact O-SG 2.83Å
56	S	79	Confident	78.4	Confident	74 Å²	74	71.6 Å²	71.6	52%	0.517	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-41	177.4	-175.1	0	0	0	0	112	V52 Q53 E54 C59 S60	V52-S56 VanDerWaalsContact O-CB 3.22Å; V52-S56 WeakPolarHBondContact O-CB 3.43Å; V52-S56 PolarHBondContact O-N 3.43Å; Q53-S56 WeakPolarHBondContact O-CB 3.31Å; Q53-S56 PolarHBondContact O-N 3.1Å; E54-S56 VanDerWaalsContact C-N 3.31Å; E54-S56 PolarHBondContact O-N 2.83Å; S56-C59 PolarHBondContact O-N 3.26Å; S56-S60 WeakPolarHBondContact O-CB 3.29Å; S56-S60 PolarHBondContact O-N 2.88Å
57	K	78.9	Confident	80.4	Confident	56 Å²	56	69.7 Å²	69.7	24%	0.243	37%	0.372	C	S	.	.	H	α-helix	trans	-66.6	-41.7	177.2	-68.2	175.2	-172.1	167	0	111.4	V28 Q53 E54 L55 S60 A61	V28-K57 HydrophobicContact CG1-CB 3.99Å; V28-K57 VanDerWaalsContact O-CD 3.25Å; V28-K57 WeakPolarHBondContact O-CD 3.45Å; Q53-K57 WeakPolarHBondContact O-CG 3.3Å; Q53-K57 PolarHBondContact O-N 3.47Å; E54-K57 PolarHBondContact O-N 2.84Å; E54-K57 IonicContact OE1-NZ 3.44Å; E54-K57 PolarHBondContact OE1-NZ 2.72Å; E54-K57 IonicContact OE2-NZ 3.53Å; L55-K57 PolarHBondContact O-N 3.36Å; K57-S60 PolarHBondContact O-N 3.41Å; K57-S60 PolarHBondContact O-OG 3.12Å; K57-A61 PolarHBondContact O-N 3.08Å
58	F	84.8	Confident	82.4	Confident	126 Å²	126	59.8 Å²	59.8	55%	0.553	34%	0.335	S	S	*	.	H	α-helix	trans	-60.7	-51.1	174.7	176.7	-97.9	0	0	0	110.9	E54 L55 S60 A61 I62	E54-F58 PolarHBondContact O-N 3.44Å; L55-F58 PolarHBondContact O-N 2.94Å; F58-S60 VanDerWaalsContact C-N 3.29Å; F58-S60 PolarHBondContact O-N 3.38Å; F58-A61 WeakPolarHBondContact O-CB 3.47Å; F58-A61 PolarHBondContact O-N 3.27Å; F58-A61 VanDerWaalsContact O-N 3.11Å; F58-I62 HydrophobicContact CE1-CD1 4.18Å; F58-I62 HydrophobicContact CE1-CG1 4.44Å; F58-I62 PolarHBondContact O-N 2.8Å
59	C	88.7	Confident	84.7	Confident	65 Å²	65	58.4 Å²	58.4	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-36.2	178.8	-71.8	0	0	0	0	112.6	L55 S56 A61 I62	L55-C59 WeakPolarHBondContact O-CB 3.34Å; L55-C59 PolarHBondContact O-N 2.64Å; L55-C59 PolarHBondContact O-SG 2.83Å; S56-C59 PolarHBondContact O-N 3.26Å; C59-A61 VanDerWaalsContact C-N 3.27Å; C59-A61 PolarHBondContact O-N 2.86Å; C59-I62 PolarHBondContact O-N 2.89Å
60	S	87.7	Confident	86	Confident	44 Å²	44	59.2 Å²	59.2	31%	0.308	33%	0.328	S	S	.	.	H	α-helix	trans	-70.6	-23	178.2	79.4	0	0	0	0	113.2	S56 K57 F58 P63 N204	S56-S60 WeakPolarHBondContact O-CB 3.29Å; S56-S60 PolarHBondContact O-N 2.88Å; K57-S60 PolarHBondContact O-N 3.41Å; K57-S60 PolarHBondContact O-OG 3.12Å; F58-S60 VanDerWaalsContact C-N 3.29Å; F58-S60 PolarHBondContact O-N 3.38Å; S60-P63 WeakPolarHBondContact O-CD 3.45Å; S60-N204 VanDerWaalsContact CB-OD1 3.27Å; S60-N204 WeakPolarHBondContact CB-OD1 3.22Å; S60-N204 VanDerWaalsContact O-CG 3.29Å; S60-N204 PolarHBondContact O-OD1 3.3Å; S60-N204 VanDerWaalsContact O-OD1 3.08Å; S60-N204 PolarHBondContact OG-OD1 3.33Å
61	A	90.4	Very high	87.3	Confident	5 Å²	5	55.8 Å²	55.8	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-80.9	-20.5	177	0	0	0	0	0	114	I24 V28 K57 F58 C59 A64 A65	I24-A61 HydrophobicContact CG2-CB 3.85Å; V28-A61 HydrophobicContact CG2-CB 3.64Å; K57-A61 PolarHBondContact O-N 3.08Å; F58-A61 WeakPolarHBondContact O-CB 3.47Å; F58-A61 PolarHBondContact O-N 3.27Å; F58-A61 VanDerWaalsContact O-N 3.11Å; C59-A61 VanDerWaalsContact C-N 3.27Å; C59-A61 PolarHBondContact O-N 2.86Å; A61-A64 PolarHBondContact O-N 2.9Å; A61-A65 PolarHBondContact O-N 3.37Å
62	I	93.2	Very high	88.5	Confident	74 Å²	74	53.3 Å²	53.3	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-52.4	-48.5	-177	-65.5	173.6	0	0	0	112.4	F58 C59 A64 A65 L66	F58-I62 HydrophobicContact CE1-CD1 4.18Å; F58-I62 HydrophobicContact CE1-CG1 4.44Å; F58-I62 PolarHBondContact O-N 2.8Å; C59-I62 PolarHBondContact O-N 2.89Å; I62-A64 PolarHBondContact O-N 3.32Å; I62-A65 PolarHBondContact O-N 3.34Å; I62-L66 HydrophobicContact CG2-CD1 3.9Å; I62-L66 HydrophobicContact CG2-CG 4.19Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.22Å
63	P	94.9	Very high	89.5	Confident	31 Å²	31	53 Å²	53	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-41	-178.8	-22	34	0	0	0	113.1	S60 L66 I67 P201 W202	S60-P63 WeakPolarHBondContact O-CD 3.45Å; P63-L66 PolarHBondContact O-N 3.43Å; P63-I67 WeakPolarHBondContact O-CG1 3.4Å; P63-I67 PolarHBondContact O-N 2.97Å; P63-I67 VanDerWaalsContact O-N 3.08Å; P63-P201 HydrophobicContact CB-CB 4.45Å; P63-P201 HydrophobicContact CG-CB 4.27Å; P63-W202 HydrophobicContact CB-CE3 3.9Å; P63-W202 HydrophobicContact CB-CZ3 4.19Å
64	A	93.7	Very high	90.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-41.1	177.4	0	0	0	0	0	111.8	A61 I62 I67 L68 F111 W202 N204	A61-A64 PolarHBondContact O-N 2.9Å; I62-A64 PolarHBondContact O-N 3.32Å; A64-I67 PolarHBondContact O-N 2.92Å; A64-L68 PolarHBondContact O-N 3.1Å; A64-L68 VanDerWaalsContact O-N 3.13Å; A64-F111 HydrophobicContact CB-CZ 4.22Å; A64-W202 WeakPolarHBondContact CA-O 3.48Å; A64-N204 HydrophobicContact CB-CB 4.16Å
65	A	93.6	Very high	91.7	Very high	23 Å²	23	47.5 Å²	47.5	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.7	175	0	0	0	0	0	112.1	I24 A61 I62 I67 L68 L69	I24-A65 HydrophobicContact CD1-CB 4.38Å; A61-A65 PolarHBondContact O-N 3.37Å; I62-A65 PolarHBondContact O-N 3.34Å; A65-I67 VanDerWaalsContact C-N 3.34Å; A65-I67 PolarHBondContact O-N 3.15Å; A65-L68 PolarHBondContact O-N 3.13Å; A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 3.03Å
66	L	94.9	Very high	92.3	Very high	89 Å²	89	48.4 Å²	48.4	47%	0.466	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.5	-71.9	174.6	0	0	0	112.1	I62 P63 L68 L69 I70	I62-L66 HydrophobicContact CG2-CD1 3.9Å; I62-L66 HydrophobicContact CG2-CG 4.19Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.22Å; P63-L66 PolarHBondContact O-N 3.43Å; L66-L68 PolarHBondContact O-N 3.11Å; L66-L69 PolarHBondContact O-N 3.02Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.04Å
67	I	94.4	Very high	93.1	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-45.2	175.7	-68.9	-63.2	0	0	0	110.8	P63 A64 A65 L69 I70 I71 F111 W202 F269	P63-I67 WeakPolarHBondContact O-CG1 3.4Å; P63-I67 PolarHBondContact O-N 2.97Å; P63-I67 VanDerWaalsContact O-N 3.08Å; A64-I67 PolarHBondContact O-N 2.92Å; A65-I67 VanDerWaalsContact C-N 3.34Å; A65-I67 PolarHBondContact O-N 3.15Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 2.9Å; I67-I70 PolarHBondContact O-N 2.88Å; I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.25Å; I67-I71 VanDerWaalsContact O-CG1 3.23Å; I67-I71 WeakPolarHBondContact O-CG1 3.28Å; I67-I71 PolarHBondContact O-N 3.26Å; I67-F111 HydrophobicContact CB-CE2 4.28Å; I67-F111 HydrophobicContact CG2-CD2 4.3Å; I67-F111 HydrophobicContact CG2-CE2 3.67Å; I67-F111 HydrophobicContact CG2-CZ 4.25Å; I67-W202 HydrophobicContact CD1-CE3 3.91Å; I67-W202 HydrophobicContact CD1-CZ3 4.25Å; I67-W202 HydrophobicContact CG1-CE3 3.77Å; I67-W202 HydrophobicContact CG1-CZ3 4.4Å; I67-F269 HydrophobicContact CD1-CE1 4.4Å; I67-F269 HydrophobicContact CD1-CZ 4.39Å
68	L	94.7	Very high	93.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-41.5	177	-71.2	173.4	0	0	0	112.6	L17 T20 I24 A64 A65 L66 I70 I71 S72 L108 F111	L17-L68 HydrophobicContact CD1-CB 3.99Å; T20-L68 HydrophobicContact CG2-CD1 3.39Å; T20-L68 HydrophobicContact CG2-CD2 4.05Å; T20-L68 HydrophobicContact CG2-CG 4.38Å; I24-L68 HydrophobicContact CD1-CD1 3.37Å; A64-L68 PolarHBondContact O-N 3.1Å; A64-L68 VanDerWaalsContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 3.13Å; L66-L68 PolarHBondContact O-N 3.11Å; L68-I70 VanDerWaalsContact C-N 3.35Å; L68-I70 PolarHBondContact O-N 3.39Å; L68-I71 PolarHBondContact O-N 2.77Å; L68-S72 WeakPolarHBondContact O-CB 2.95Å; L68-S72 PolarHBondContact O-N 3.35Å; L68-S72 PolarHBondContact O-OG 2.81Å; L68-S72 VanDerWaalsContact O-OG 3.11Å; L68-L108 HydrophobicContact CD2-CD2 4.33Å; L68-F111 HydrophobicContact CD1-CE1 4.03Å; L68-F111 HydrophobicContact CD2-CD1 3.75Å; L68-F111 HydrophobicContact CD2-CE1 3.57Å; L68-F111 HydrophobicContact CD2-CZ 4.26Å; L68-F111 HydrophobicContact CG-CD1 4.39Å; L68-F111 HydrophobicContact CG-CE1 3.7Å; L68-F111 HydrophobicContact CG-CZ 4.11Å
69	L	95.9	Very high	94.2	Very high	93 Å²	93	36.6 Å²	36.6	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-43.9	175.4	-71	171.1	0	0	0	111.8	A65 L66 I67 S72 W73	A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 3.03Å; L66-L69 PolarHBondContact O-N 3.02Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 2.9Å; L69-S72 PolarHBondContact O-N 2.81Å; L69-W73 WeakPolarHBondContact O-CB 3.02Å; L69-W73 PolarHBondContact O-N 3.19Å
70	I	96.2	Very high	94.3	Very high	58 Å²	58	35.6 Å²	35.6	30%	0.297	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-43.8	176.4	-68.5	166.8	0	0	0	110.8	L66 I67 L68 W73 S74 L265	L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.04Å; I67-I70 PolarHBondContact O-N 2.88Å; L68-I70 VanDerWaalsContact C-N 3.35Å; L68-I70 PolarHBondContact O-N 3.39Å; I70-W73 PolarHBondContact O-N 2.81Å; I70-S74 WeakPolarHBondContact O-CB 3.42Å; I70-S74 PolarHBondContact O-N 3.19Å; I70-S74 PolarHBondContact O-OG 2.97Å; I70-L265 HydrophobicContact CG2-CD2 3.79Å
71	I	95.9	Very high	94.4	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-47.4	178.2	-68.4	170.4	0	0	0	110.3	I67 L68 W73 S74 Y75 F104 F107 L108	I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.25Å; I67-I71 VanDerWaalsContact O-CG1 3.23Å; I67-I71 WeakPolarHBondContact O-CG1 3.28Å; I67-I71 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 2.77Å; I71-W73 PolarHBondContact O-N 2.82Å; I71-S74 WeakPolarHBondContact CA-OG 3.43Å; I71-S74 PolarHBondContact O-N 2.88Å; I71-S74 PolarHBondContact O-OG 3.3Å; I71-Y75 PolarHBondContact O-N 3.05Å; I71-F104 HydrophobicContact CG2-CD2 4.33Å; I71-F104 HydrophobicContact CG2-CE2 3.5Å; I71-F104 HydrophobicContact CG2-CZ 4.24Å; I71-F107 HydrophobicContact CD1-CD1 4.34Å; I71-F107 HydrophobicContact CD1-CE1 3.48Å; I71-F107 VanDerWaalsContact CD1-CE1 3.48Å; I71-F107 HydrophobicContact CD1-CZ 3.61Å; I71-F107 HydrophobicContact CG1-CE1 3.7Å; I71-F107 HydrophobicContact CG1-CZ 4.16Å; I71-F107 HydrophobicContact CG2-CE1 4.33Å; I71-L108 HydrophobicContact CG2-CD2 3.83Å
72	S	95.6	Very high	94.5	Very high	32 Å²	32	33.5 Å²	33.5	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-42.9	178.1	-63.2	0	0	0	0	113.1	L17 L68 L69 Y75 Y76	L17-S72 WeakPolarHBondContact CD1-OG 3.31Å; L17-S72 VanDerWaalsContact CD2-OG 3.24Å; L17-S72 WeakPolarHBondContact CD2-OG 2.87Å; L68-S72 WeakPolarHBondContact O-CB 2.95Å; L68-S72 PolarHBondContact O-N 3.35Å; L68-S72 PolarHBondContact O-OG 2.81Å; L68-S72 VanDerWaalsContact O-OG 3.11Å; L69-S72 PolarHBondContact O-N 2.81Å; S72-Y75 PolarHBondContact O-N 2.93Å; S72-Y76 PolarHBondContact O-N 3.33Å
73	W	97.4	Very high	94.3	Very high	78 Å²	78	30 Å²	30	30%	0.295	15%	0.15	S	C	.	.	H	α-helix	trans	-62.7	-45.6	175.5	171.6	74.9	0	0	0	111.7	L69 I70 I71 Y75 Y76 V77 C258 T261 L262 L265	L69-W73 WeakPolarHBondContact O-CB 3.02Å; L69-W73 PolarHBondContact O-N 3.19Å; I70-W73 PolarHBondContact O-N 2.81Å; I71-W73 PolarHBondContact O-N 2.82Å; W73-Y75 VanDerWaalsContact C-N 3.27Å; W73-Y75 PolarHBondContact O-N 3.03Å; W73-Y76 WeakPolarHBondContact O-CB 3.43Å; W73-Y76 PolarHBondContact O-N 3.21Å; W73-V77 HydrophobicContact CD2-CG2 4.27Å; W73-V77 HydrophobicContact CZ2-CG2 3.97Å; W73-V77 WeakPolarHBondContact O-CG2 3.42Å; W73-V77 PolarHBondContact O-N 3.49Å; W73-C258 HydrophobicContact CZ2-CB 4.45Å; W73-T261 HydrophobicContact CH2-CG2 3.71Å; W73-T261 HydrophobicContact CZ2-CG2 4.28Å; W73-L262 HydrophobicContact CH2-CB 3.96Å; W73-L262 HydrophobicContact CZ3-CB 4.29Å; W73-L262 HydrophobicContact CZ3-CD1 4.13Å; W73-L265 HydrophobicContact CZ3-CD2 4.12Å
74	S	97.5	Very high	93.8	Very high	6 Å²	6	32 Å²	32	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-39.2	177.2	68.9	0	0	0	0	111.8	I70 I71 V77 V78 Y225	I70-S74 WeakPolarHBondContact O-CB 3.42Å; I70-S74 PolarHBondContact O-N 3.19Å; I70-S74 PolarHBondContact O-OG 2.97Å; I71-S74 WeakPolarHBondContact CA-OG 3.43Å; I71-S74 PolarHBondContact O-N 2.88Å; I71-S74 PolarHBondContact O-OG 3.3Å; S74-V77 PolarHBondContact O-N 3.13Å; S74-V78 WeakPolarHBondContact O-CG2 3.34Å; S74-V78 PolarHBondContact O-N 3.45Å; S74-Y225 WeakPolarHBondContact OG-CE1 3.46Å; S74-Y225 PolarHBondContact OG-OH 3.33Å
75	Y	96.2	Very high	93.5	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-43.5	176.5	177.7	-85.6	0	0	0	112.5	T13 I71 S72 W73 T79 Y100 H101 F104 Y225	T13-Y75 HydrophobicContact CG2-CD1 4.1Å; T13-Y75 HydrophobicContact CG2-CE1 3.52Å; T13-Y75 HydrophobicContact CG2-CE2 4.28Å; I71-Y75 PolarHBondContact O-N 3.05Å; S72-Y75 PolarHBondContact O-N 2.93Å; W73-Y75 VanDerWaalsContact C-N 3.27Å; W73-Y75 PolarHBondContact O-N 3.03Å; Y75-T79 WeakPolarHBondContact O-CB 3.16Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 3.44Å; Y75-Y100 WeakPolarHBondContact CA-OH 3.23Å; Y75-Y100 AromaticContact CD2-CE1 3.77Å; Y75-Y100 HydrophobicContact CD2-CE1 3.77Å; Y75-Y100 AromaticContact CE2-CE1 3.92Å; Y75-Y100 HydrophobicContact CE2-CE1 3.92Å; Y75-H101 AromaticContact CE2-NE2 3.72Å; Y75-H101 AromaticContact CZ-NE2 3.58Å; Y75-H101 PolarHBondContact OH-CD2 3.38Å; Y75-H101 PolarHBondContact OH-NE2 3.4Å; Y75-F104 HydrophobicContact CD2-CB 4.48Å; Y75-F104 AromaticContact CD2-CD1 3.65Å; Y75-F104 HydrophobicContact CD2-CD1 3.65Å; Y75-F104 AromaticContact CD2-CD2 3.7Å; Y75-F104 HydrophobicContact CD2-CD2 3.7Å; Y75-F104 AromaticContact CD2-CE1 3.61Å; Y75-F104 HydrophobicContact CD2-CE1 3.61Å; Y75-F104 AromaticContact CD2-CE2 3.65Å; Y75-F104 HydrophobicContact CD2-CE2 3.65Å; Y75-F104 AromaticContact CD2-CG 3.68Å; Y75-F104 HydrophobicContact CD2-CG 3.68Å; Y75-F104 AromaticContact CD2-CZ 3.59Å; Y75-F104 HydrophobicContact CD2-CZ 3.59Å; Y75-F104 AromaticContact CE2-CD1 3.71Å; Y75-F104 HydrophobicContact CE2-CD1 3.71Å; Y75-F104 AromaticContact CE2-CE1 3.84Å; Y75-F104 HydrophobicContact CE2-CE1 3.84Å; Y75-F104 HydrophobicContact CE2-CG 4.07Å; Y75-F104 HydrophobicContact CE2-CZ 4.29Å; Y75-F104 HydrophobicContact CG-CD2 4.4Å; Y75-F104 HydrophobicContact CG-CE1 4.13Å; Y75-F104 AromaticContact CG-CE2 3.91Å; Y75-F104 HydrophobicContact CG-CE2 3.91Å; Y75-F104 AromaticContact CG-CZ 3.76Å; Y75-F104 HydrophobicContact CG-CZ 3.76Å; Y75-Y225 PolarHBondContact N-OH 3.49Å
76	Y	95.3	Very high	93.1	Very high	122 Å²	122	35.2 Å²	35.2	48%	0.478	17%	0.171	S	C	.	.	H	α-helix	trans	-59	-49.8	175.3	169.9	-92.5	0	0	0	111.4	S72 W73 T79 F80 V81	S72-Y76 PolarHBondContact O-N 3.33Å; W73-Y76 WeakPolarHBondContact O-CB 3.43Å; W73-Y76 PolarHBondContact O-N 3.21Å; Y76-T79 PolarHBondContact O-N 2.89Å; Y76-F80 HydrophobicContact CD2-CB 4.43Å; Y76-F80 AromaticContact CD2-CD2 3.51Å; Y76-F80 HydrophobicContact CD2-CD2 3.51Å; Y76-F80 HydrophobicContact CD2-CE2 4.2Å; Y76-F80 HydrophobicContact CD2-CG 4.35Å; Y76-F80 HydrophobicContact CE2-CB 4.23Å; Y76-F80 AromaticContact CE2-CD2 3.95Å; Y76-F80 HydrophobicContact CE2-CD2 3.95Å; Y76-F80 HydrophobicContact CE2-CG 4.4Å; Y76-F80 HydrophobicContact CG-CD2 4.24Å; Y76-F80 WeakPolarHBondContact O-CB 3.3Å; Y76-F80 PolarHBondContact O-N 2.72Å; Y76-V81 HydrophobicContact CE1-CG2 4.22Å
77	V	95.6	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	I	π-helix	trans	-63.4	-48.2	-178.3	175.6	0	0	0	0	111	W73 S74 T79 V81 V82 C258 L262	W73-V77 HydrophobicContact CD2-CG2 4.27Å; W73-V77 HydrophobicContact CZ2-CG2 3.97Å; W73-V77 WeakPolarHBondContact O-CG2 3.42Å; W73-V77 PolarHBondContact O-N 3.49Å; S74-V77 PolarHBondContact O-N 3.13Å; V77-T79 PolarHBondContact O-N 3.39Å; V77-V81 HydrophobicContact CG1-CB 4.41Å; V77-V81 WeakPolarHBondContact O-CA 3.28Å; V77-V81 VanDerWaalsContact O-CB 3.25Å; V77-V81 WeakPolarHBondContact O-CB 3.31Å; V77-V81 PolarHBondContact O-N 3.41Å; V77-V81 VanDerWaalsContact O-N 3.13Å; V77-V82 HydrophobicContact CG1-CG2 4.32Å; V77-V82 PolarHBondContact O-N 2.84Å; V77-C258 HydrophobicContact CG1-CB 4.11Å; V77-C258 HydrophobicContact CG2-CB 3.95Å; V77-L262 HydrophobicContact CB-CD2 4.04Å; V77-L262 HydrophobicContact CG1-CB 4.32Å; V77-L262 HydrophobicContact CG1-CD2 3.66Å
78	V	94.3	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-61.4	-46.9	179	174.1	0	0	0	0	111	S74 I83 Y100 C229 F232 L262	S74-V78 WeakPolarHBondContact O-CG2 3.34Å; S74-V78 PolarHBondContact O-N 3.45Å; V78-I83 HydrophobicContact CG1-CD1 3.62Å; V78-I83 HydrophobicContact CG1-CG1 4.01Å; V78-I83 VanDerWaalsContact O-CB 3.29Å; V78-I83 WeakPolarHBondContact O-CB 3.2Å; V78-I83 WeakPolarHBondContact O-CG1 3.47Å; V78-I83 PolarHBondContact O-N 2.76Å; V78-Y100 HydrophobicContact CB-CE1 4.38Å; V78-Y100 HydrophobicContact CB-CE2 4.19Å; V78-Y100 WeakPolarHBondContact CB-OH 3.27Å; V78-Y100 HydrophobicContact CG1-CD1 4.41Å; V78-Y100 HydrophobicContact CG1-CD2 4.17Å; V78-Y100 HydrophobicContact CG1-CE1 3.94Å; V78-Y100 HydrophobicContact CG1-CE2 3.66Å; V78-Y100 HydrophobicContact CG2-CE2 4.37Å; V78-C229 HydrophobicContact CG2-CB 4.34Å; V78-F232 HydrophobicContact CG1-CB 4.48Å; V78-F232 HydrophobicContact CG1-CD2 3.88Å; V78-F232 HydrophobicContact CG1-CE2 4.44Å; V78-F232 HydrophobicContact CG1-CG 4.34Å; V78-L262 HydrophobicContact CG2-CD2 3.59Å
79	T	92.1	Very high	91.5	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	20%	0.203	C	C	.	.	I	π-helix	trans	-73.1	-52.8	-172.4	-58.4	0	0	0	0	112.5	Y75 Y76 V77 F97	Y75-T79 WeakPolarHBondContact O-CB 3.16Å; Y75-T79 PolarHBondContact O-N 2.93Å; Y75-T79 PolarHBondContact O-OG1 3.44Å; Y76-T79 PolarHBondContact O-N 2.89Å; V77-T79 PolarHBondContact O-N 3.39Å; T79-F97 HydrophobicContact CG2-CE2 3.6Å; T79-F97 HydrophobicContact CG2-CZ 3.99Å
80	F	90.4	Very high	90.8	Very high	44 Å²	44	40 Å²	40	19%	0.193	21%	0.21	C	C	.	.	I	π-helix	trans	-98.3	-21.1	-167.1	-60.8	-66.2	0	0	0	113.9	K6 Y76	K6-F80 HydrophobicContact CB-CE1 4.32Å; K6-F80 HydrophobicContact CG-CD1 4.12Å; K6-F80 HydrophobicContact CG-CE1 3.8Å; Y76-F80 HydrophobicContact CD2-CB 4.43Å; Y76-F80 AromaticContact CD2-CD2 3.51Å; Y76-F80 HydrophobicContact CD2-CD2 3.51Å; Y76-F80 HydrophobicContact CD2-CE2 4.2Å; Y76-F80 HydrophobicContact CD2-CG 4.35Å; Y76-F80 HydrophobicContact CE2-CB 4.23Å; Y76-F80 AromaticContact CE2-CD2 3.95Å; Y76-F80 HydrophobicContact CE2-CD2 3.95Å; Y76-F80 HydrophobicContact CE2-CG 4.4Å; Y76-F80 HydrophobicContact CG-CD2 4.24Å; Y76-F80 WeakPolarHBondContact O-CB 3.3Å; Y76-F80 PolarHBondContact O-N 2.72Å
81	V	91.3	Very high	90.2	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	23%	0.227	C	C	.	.	I	π-helix	trans	-100.2	-54.5	177.6	178.7	0	0	0	0	110.6	Y76 V77 D85 D255	Y76-V81 HydrophobicContact CE1-CG2 4.22Å; V77-V81 HydrophobicContact CG1-CB 4.41Å; V77-V81 WeakPolarHBondContact O-CA 3.28Å; V77-V81 VanDerWaalsContact O-CB 3.25Å; V77-V81 WeakPolarHBondContact O-CB 3.31Å; V77-V81 PolarHBondContact O-N 3.41Å; V77-V81 VanDerWaalsContact O-N 3.13Å; V81-D85 VanDerWaalsContact O-CB 3.3Å; V81-D85 WeakPolarHBondContact O-CB 3.2Å; V81-D255 HydrophobicContact CG1-CB 3.5Å; V81-D255 VanDerWaalsContact CG1-CB 3.5Å
82	V	92.1	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-82.3	-62.5	-170.2	173.1	0	0	0	0	112.6	V77 Q84 D85 L86 F232 Y236 A259	V77-V82 HydrophobicContact CG1-CG2 4.32Å; V77-V82 PolarHBondContact O-N 2.84Å; V82-Q84 VanDerWaalsContact C-N 3.35Å; V82-Q84 PolarHBondContact O-N 3.15Å; V82-D85 PolarHBondContact O-N 3.05Å; V82-L86 VanDerWaalsContact O-CB 3.25Å; V82-L86 WeakPolarHBondContact O-CB 3.37Å; V82-L86 PolarHBondContact O-N 3.13Å; V82-F232 HydrophobicContact CG1-CB 3.84Å; V82-F232 WeakPolarHBondContact CG1-O 3.47Å; V82-Y236 HydrophobicContact CB-CD2 4.48Å; V82-Y236 HydrophobicContact CG1-CD2 4.44Å; V82-Y236 HydrophobicContact CG1-CG 4.45Å; V82-Y236 HydrophobicContact CG2-CD2 4.39Å; V82-Y236 HydrophobicContact CG2-CG 4.12Å; V82-A259 HydrophobicContact CG2-CB 4.49Å
83	I	89.2	Confident	88.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.246	C	C	.	.	I	π-helix	trans	-61.3	-45.1	-173.3	-76.9	176.4	0	0	0	110.8	V78 D85 L86 I87 L93 F97 Y100 F232	V78-I83 HydrophobicContact CG1-CD1 3.62Å; V78-I83 HydrophobicContact CG1-CG1 4.01Å; V78-I83 VanDerWaalsContact O-CB 3.29Å; V78-I83 WeakPolarHBondContact O-CB 3.2Å; V78-I83 WeakPolarHBondContact O-CG1 3.47Å; V78-I83 PolarHBondContact O-N 2.76Å; I83-D85 PolarHBondContact O-N 3.42Å; I83-L86 PolarHBondContact O-N 2.8Å; I83-I87 HydrophobicContact CG2-CD1 4.27Å; I83-I87 WeakPolarHBondContact O-CB 3.4Å; I83-I87 PolarHBondContact O-N 3.37Å; I83-L93 HydrophobicContact CG2-CD1 3.19Å; I83-F97 HydrophobicContact CD1-CD2 4.33Å; I83-F97 HydrophobicContact CG2-CD2 4.22Å; I83-Y100 HydrophobicContact CD1-CD1 4.4Å; I83-F232 HydrophobicContact CD1-CE1 4.45Å; I83-F232 HydrophobicContact CD1-CE2 4.25Å; I83-F232 HydrophobicContact CD1-CZ 4.18Å; I83-F232 HydrophobicContact CG1-CD1 4.25Å; I83-F232 HydrophobicContact CG1-CE1 4.16Å; I83-F232 HydrophobicContact CG1-CZ 4.38Å
84	Q	83.8	Confident	88.1	Confident	72 Å²	72	49.6 Å²	49.6	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-29.8	-179	-177.7	169.3	-8.5	0	0	113	L2 V82	L2-Q84 HydrophobicContact CD2-CG 4.31Å; V82-Q84 VanDerWaalsContact C-N 3.35Å; V82-Q84 PolarHBondContact O-N 3.15Å
85	D	87.2	Confident	87.4	Confident	34 Å²	34	55.4 Å²	55.4	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-93.3	-35.1	-179.4	-174	94.8	0	0	0	113	V81 V82 I83 Y236 K239 Y240 R252	V81-D85 VanDerWaalsContact O-CB 3.3Å; V81-D85 WeakPolarHBondContact O-CB 3.2Å; V82-D85 PolarHBondContact O-N 3.05Å; I83-D85 PolarHBondContact O-N 3.42Å; D85-Y236 HydrophobicContact CB-CD2 4.37Å; D85-Y236 HydrophobicContact CB-CE2 3.72Å; D85-Y236 WeakPolarHBondContact OD2-CE2 3.34Å; D85-K239 PolarHBondContact O-NZ 2.85Å; D85-K239 IonicContact OD2-NZ 2.72Å; D85-K239 PolarHBondContact OD2-NZ 2.99Å; D85-Y240 PolarHBondContact OD1-OH 3.32Å; D85-Y240 WeakPolarHBondContact OD2-CE2 3.29Å; D85-Y240 PolarHBondContact OD2-OH 3.12Å; D85-R252 IonicContact OD1-CZ 3.34Å; D85-R252 IonicContact OD1-NE 2.7Å; D85-R252 IonicContact OD1-NH2 2.59Å; D85-R252 PolarHBondContact OD1-NH2 2.82Å
86	L	86	Confident	86.8	Confident	59 Å²	59	59.3 Å²	59.3	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-74.3	-35.4	-179.1	-172.8	63.2	0	0	0	111.7	V82 I83 K239	V82-L86 VanDerWaalsContact O-CB 3.25Å; V82-L86 WeakPolarHBondContact O-CB 3.37Å; V82-L86 PolarHBondContact O-N 3.13Å; I83-L86 PolarHBondContact O-N 2.8Å; L86-K239 HydrophobicContact CD1-CD 4.14Å
87	I	83.1	Confident	86.3	Confident	19 Å²	19	55.1 Å²	55.1	10%	0.097	28%	0.284	C	S	.	.			trans	-114.9	102.6	-170.5	-56	171.2	0	0	0	110.6	I83 S89 L92 L93 F96	I83-I87 HydrophobicContact CG2-CD1 4.27Å; I83-I87 WeakPolarHBondContact O-CB 3.4Å; I83-I87 PolarHBondContact O-N 3.37Å; I87-S89 WeakPolarHBondContact CG2-O 3.41Å; I87-L92 HydrophobicContact CG2-CB 3.56Å; I87-L93 HydrophobicContact CG2-CB 3.93Å; I87-L93 VanDerWaalsContact CG2-N 3.28Å; I87-F96 HydrophobicContact CD1-CB 3.87Å; I87-F96 HydrophobicContact CD1-CD2 3.68Å; I87-F96 HydrophobicContact CD1-CG 4.05Å
88	T	80.5	Confident	85.9	Confident	136 Å²	136	57.8 Å²	57.8	83%	0.834	31%	0.305	S	S	*	.			trans	-86.4	-27.9	176.6	54.4	0	0	0	0	112.9	T90	T88-T90 PolarHBondContact O-N 2.69Å
89	S	86.1	Confident	85.7	Confident	49 Å²	49	61.4 Å²	61.4	34%	0.343	33%	0.329	S	S	.	.			trans	-75.9	122.4	177.6	170.5	0	0	0	0	110.9	I87 F91 L92 L93	I87-S89 WeakPolarHBondContact CG2-O 3.41Å; S89-F91 PolarHBondContact O-N 3.18Å; S89-F91 PolarHBondContact OG-N 3.03Å; S89-L92 PolarHBondContact O-N 3.16Å; S89-L92 PolarHBondContact OG-N 3.47Å; S89-L93 WeakPolarHBondContact O-CB 3.17Å; S89-L93 PolarHBondContact O-N 3.46Å
90	T	81.9	Confident	85.7	Confident	103 Å²	103	61 Å²	61	63%	0.632	33%	0.327	S	S	*	.	H	α-helix	trans	-58.5	-35.2	176.9	-48.8	0	0	0	0	112.4	T88 L93 L94	T88-T90 PolarHBondContact O-N 2.69Å; T90-L93 WeakPolarHBondContact O-CB 2.98Å; T90-L93 PolarHBondContact O-N 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.15Å; T90-L94 PolarHBondContact O-N 2.8Å; T90-L94 VanDerWaalsContact O-N 3.1Å
91	F	83.4	Confident	85.8	Confident	152 Å²	152	59.8 Å²	59.8	67%	0.667	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-49.1	177.5	176	-98.1	0	0	0	111.7	S89 L93 L94 F95	S89-F91 PolarHBondContact O-N 3.18Å; S89-F91 PolarHBondContact OG-N 3.03Å; F91-L93 PolarHBondContact O-N 3.25Å; F91-L94 PolarHBondContact O-N 2.99Å; F91-F95 PolarHBondContact O-N 3.1Å
92	L	82.8	Confident	86	Confident	79 Å²	79	63.7 Å²	63.7	41%	0.414	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-34.6	176.8	-69.8	176.2	0	0	0	111.1	I87 S89 F95 F96	I87-L92 HydrophobicContact CG2-CB 3.56Å; S89-L92 PolarHBondContact O-N 3.16Å; S89-L92 PolarHBondContact OG-N 3.47Å; L92-F95 PolarHBondContact O-N 3.13Å; L92-F96 HydrophobicContact CD2-CE2 4.38Å; L92-F96 VanDerWaalsContact O-CD2 3.27Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 2.78Å
93	L	79.9	Confident	86.2	Confident	46 Å²	46	64.7 Å²	64.7	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-54	177.1	-179.7	65.5	0	0	0	109.2	I83 I87 S89 T90 F91 F95 F96 F97	I83-L93 HydrophobicContact CG2-CD1 3.19Å; I87-L93 HydrophobicContact CG2-CB 3.93Å; I87-L93 VanDerWaalsContact CG2-N 3.28Å; S89-L93 WeakPolarHBondContact O-CB 3.17Å; S89-L93 PolarHBondContact O-N 3.46Å; T90-L93 WeakPolarHBondContact O-CB 2.98Å; T90-L93 PolarHBondContact O-N 3.24Å; F91-L93 PolarHBondContact O-N 3.25Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.01Å; L93-F96 PolarHBondContact O-N 3.32Å; L93-F97 WeakPolarHBondContact O-CA 3.22Å; L93-F97 WeakPolarHBondContact O-CB 3.27Å; L93-F97 PolarHBondContact O-N 3.44Å
94	L	81	Confident	86.6	Confident	102 Å²	102	65.1 Å²	65.1	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-40.3	178.2	-68.4	173.4	0	0	0	112.6	T90 F91 F96 A98	T90-L94 WeakPolarHBondContact O-CG 3.15Å; T90-L94 PolarHBondContact O-N 2.8Å; T90-L94 VanDerWaalsContact O-N 3.1Å; F91-L94 PolarHBondContact O-N 2.99Å; L94-F96 PolarHBondContact O-N 3.07Å; L94-A98 WeakPolarHBondContact O-CB 3.39Å; L94-A98 PolarHBondContact O-N 3.13Å; L94-A98 VanDerWaalsContact O-N 3.08Å
95	F	84.1	Confident	87.2	Confident	128 Å²	128	66.6 Å²	66.6	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-41.3	-179.5	-177.1	-97.3	0	0	0	113.3	F91 L92 L93 P99	F91-F95 PolarHBondContact O-N 3.1Å; L92-F95 PolarHBondContact O-N 3.13Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.01Å; F95-P99 WeakPolarHBondContact O-CD 3.44Å; F95-P99 VanDerWaalsContact O-CG 3.3Å; F95-P99 WeakPolarHBondContact O-CG 3.47Å
96	F	81.8	Confident	87.8	Confident	87 Å²	87	66.3 Å²	66.3	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-86.8	-32.7	178.1	-75.4	-70.1	0	0	0	113.1	I87 L92 L93 L94 Y100 F232	I87-F96 HydrophobicContact CD1-CB 3.87Å; I87-F96 HydrophobicContact CD1-CD2 3.68Å; I87-F96 HydrophobicContact CD1-CG 4.05Å; L92-F96 HydrophobicContact CD2-CE2 4.38Å; L92-F96 VanDerWaalsContact O-CD2 3.27Å; L92-F96 WeakPolarHBondContact O-CD2 3.49Å; L92-F96 PolarHBondContact O-N 2.78Å; L93-F96 PolarHBondContact O-N 3.32Å; L94-F96 PolarHBondContact O-N 3.07Å; F96-Y100 WeakPolarHBondContact O-CB 3.35Å; F96-Y100 PolarHBondContact O-N 2.87Å; F96-F232 HydrophobicContact CB-CE1 4.4Å; F96-F232 HydrophobicContact CB-CZ 4.1Å; F96-F232 HydrophobicContact CD1-CE1 4.37Å; F96-F232 HydrophobicContact CD1-CZ 4.19Å; F96-F232 HydrophobicContact CG-CE1 4.5Å; F96-F232 HydrophobicContact CG-CZ 4.44Å
97	F	84.9	Confident	88.3	Confident	35 Å²	35	64.3 Å²	64.3	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-42.1	-176.1	-163.4	-104.2	0	0	0	111.8	F9 T79 I83 L93 Y100 H101	F9-F97 HydrophobicContact CZ-CE1 4.49Å; T79-F97 HydrophobicContact CG2-CE2 3.6Å; T79-F97 HydrophobicContact CG2-CZ 3.99Å; I83-F97 HydrophobicContact CD1-CD2 4.33Å; I83-F97 HydrophobicContact CG2-CD2 4.22Å; L93-F97 WeakPolarHBondContact O-CA 3.22Å; L93-F97 WeakPolarHBondContact O-CB 3.27Å; L93-F97 PolarHBondContact O-N 3.44Å; F97-Y100 PolarHBondContact O-N 3Å; F97-H101 AromaticContact CD1-CE1 3.43Å; F97-H101 VanDerWaalsContact CD1-CE1 3.43Å; F97-H101 WeakPolarHBondContact CD1-CE1 3.45Å; F97-H101 AromaticContact CD1-ND1 3.49Å; F97-H101 WeakPolarHBondContact CD1-ND1 3.5Å; F97-H101 AromaticContact CD2-CE1 3.47Å; F97-H101 VanDerWaalsContact CD2-CE1 3.47Å; F97-H101 WeakPolarHBondContact CD2-CE1 3.26Å; F97-H101 AromaticContact CD2-ND1 3.93Å; F97-H101 AromaticContact CE1-CD2 3.99Å; F97-H101 AromaticContact CE1-CE1 3.1Å; F97-H101 WeakPolarHBondContact CE1-CE1 3.45Å; F97-H101 AromaticContact CE1-ND1 3.61Å; F97-H101 AromaticContact CE1-NE2 3.3Å; F97-H101 VanDerWaalsContact CE1-NE2 3.3Å; F97-H101 WeakPolarHBondContact CE1-NE2 3.45Å; F97-H101 AromaticContact CE2-CE1 3.18Å; F97-H101 WeakPolarHBondContact CE2-CE1 3.49Å; F97-H101 AromaticContact CE2-NE2 3.87Å; F97-H101 AromaticContact CG-CE1 3.61Å; F97-H101 AromaticContact CG-ND1 3.67Å; F97-H101 AromaticContact CZ-CE1 2.98Å; F97-H101 WeakPolarHBondContact CZ-CE1 3.43Å; F97-H101 AromaticContact CZ-ND1 3.91Å; F97-H101 AromaticContact CZ-NE2 3.22Å; F97-H101 WeakPolarHBondContact CZ-NE2 3.21Å; F97-H101 PolarHBondContact O-N 3.44Å; F97-H101 PolarHBondContact O-ND1 2.89Å
98	A	87.8	Confident	89	Confident	55 Å²	55	64.6 Å²	64.6	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-50.6	-177.3	0	0	0	0	0	113.2	L94 Y100 H101 V102	L94-A98 WeakPolarHBondContact O-CB 3.39Å; L94-A98 PolarHBondContact O-N 3.13Å; L94-A98 VanDerWaalsContact O-N 3.08Å; A98-Y100 VanDerWaalsContact C-N 3.31Å; A98-Y100 PolarHBondContact O-N 3.46Å; A98-H101 PolarHBondContact O-N 3.25Å; A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.44Å
99	P	89.7	Confident	89.9	Confident	76 Å²	76	62.6 Å²	62.6	49%	0.494	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-38.6	175.6	-23.5	34.5	0	0	0	113	F95 H101 V102 L103	F95-P99 WeakPolarHBondContact O-CD 3.44Å; F95-P99 VanDerWaalsContact O-CG 3.3Å; F95-P99 WeakPolarHBondContact O-CG 3.47Å; P99-H101 PolarHBondContact O-N 2.86Å; P99-V102 PolarHBondContact O-N 3.07Å; P99-L103 WeakPolarHBondContact O-CB 3.39Å; P99-L103 PolarHBondContact O-N 3.28Å
100	Y	92.6	Very high	90.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-44.9	175.8	174	-103.6	0	0	0	111.9	Y75 V78 I83 F96 F97 A98 L103 F104 Y225 L228 F232	Y75-Y100 WeakPolarHBondContact CA-OH 3.23Å; Y75-Y100 AromaticContact CD2-CE1 3.77Å; Y75-Y100 HydrophobicContact CD2-CE1 3.77Å; Y75-Y100 AromaticContact CE2-CE1 3.92Å; Y75-Y100 HydrophobicContact CE2-CE1 3.92Å; V78-Y100 HydrophobicContact CB-CE1 4.38Å; V78-Y100 HydrophobicContact CB-CE2 4.19Å; V78-Y100 WeakPolarHBondContact CB-OH 3.27Å; V78-Y100 HydrophobicContact CG1-CD1 4.41Å; V78-Y100 HydrophobicContact CG1-CD2 4.17Å; V78-Y100 HydrophobicContact CG1-CE1 3.94Å; V78-Y100 HydrophobicContact CG1-CE2 3.66Å; V78-Y100 HydrophobicContact CG2-CE2 4.37Å; I83-Y100 HydrophobicContact CD1-CD1 4.4Å; F96-Y100 WeakPolarHBondContact O-CB 3.35Å; F96-Y100 PolarHBondContact O-N 2.87Å; F97-Y100 PolarHBondContact O-N 3Å; A98-Y100 VanDerWaalsContact C-N 3.31Å; A98-Y100 PolarHBondContact O-N 3.46Å; Y100-L103 PolarHBondContact O-N 3.08Å; Y100-F104 WeakPolarHBondContact O-CB 3.12Å; Y100-F104 PolarHBondContact O-N 2.9Å; Y100-Y225 HydrophobicContact CE2-CD2 4.19Å; Y100-Y225 AromaticContact CE2-CE2 3.56Å; Y100-Y225 HydrophobicContact CE2-CE2 3.56Å; Y100-Y225 AromaticContact CZ-CE2 3.86Å; Y100-Y225 PolarHBondContact OH-OH 3.42Å; Y100-L228 HydrophobicContact CD2-CD2 3.7Å; Y100-L228 HydrophobicContact CD2-CG 4.19Å; Y100-L228 HydrophobicContact CG-CD2 4.41Å; Y100-F232 HydrophobicContact CD2-CE2 4.27Å
101	H	93.4	Very high	91.2	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-43.1	178	-77.2	61.5	0	0	0	112.4	F9 Y75 F97 A98 P99 L103 F104 I105	F9-H101 AromaticContact CD1-CD2 3.91Å; F9-H101 AromaticContact CD1-NE2 3.83Å; F9-H101 AromaticContact CE1-CD2 3.61Å; F9-H101 AromaticContact CE1-NE2 3.9Å; Y75-H101 AromaticContact CE2-NE2 3.72Å; Y75-H101 AromaticContact CZ-NE2 3.58Å; Y75-H101 PolarHBondContact OH-CD2 3.38Å; Y75-H101 PolarHBondContact OH-NE2 3.4Å; F97-H101 AromaticContact CD1-CE1 3.43Å; F97-H101 VanDerWaalsContact CD1-CE1 3.43Å; F97-H101 WeakPolarHBondContact CD1-CE1 3.45Å; F97-H101 AromaticContact CD1-ND1 3.49Å; F97-H101 WeakPolarHBondContact CD1-ND1 3.5Å; F97-H101 AromaticContact CD2-CE1 3.47Å; F97-H101 VanDerWaalsContact CD2-CE1 3.47Å; F97-H101 WeakPolarHBondContact CD2-CE1 3.26Å; F97-H101 AromaticContact CD2-ND1 3.93Å; F97-H101 AromaticContact CE1-CD2 3.99Å; F97-H101 AromaticContact CE1-CE1 3.1Å; F97-H101 WeakPolarHBondContact CE1-CE1 3.45Å; F97-H101 AromaticContact CE1-ND1 3.61Å; F97-H101 AromaticContact CE1-NE2 3.3Å; F97-H101 VanDerWaalsContact CE1-NE2 3.3Å; F97-H101 WeakPolarHBondContact CE1-NE2 3.45Å; F97-H101 AromaticContact CE2-CE1 3.18Å; F97-H101 WeakPolarHBondContact CE2-CE1 3.49Å; F97-H101 AromaticContact CE2-NE2 3.87Å; F97-H101 AromaticContact CG-CE1 3.61Å; F97-H101 AromaticContact CG-ND1 3.67Å; F97-H101 AromaticContact CZ-CE1 2.98Å; F97-H101 WeakPolarHBondContact CZ-CE1 3.43Å; F97-H101 AromaticContact CZ-ND1 3.91Å; F97-H101 AromaticContact CZ-NE2 3.22Å; F97-H101 WeakPolarHBondContact CZ-NE2 3.21Å; F97-H101 PolarHBondContact O-N 3.44Å; F97-H101 PolarHBondContact O-ND1 2.89Å; A98-H101 PolarHBondContact O-N 3.25Å; P99-H101 PolarHBondContact O-N 2.86Å; H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact O-N 3.46Å; H101-F104 PolarHBondContact O-N 3.09Å; H101-I105 WeakPolarHBondContact O-CB 3.23Å; H101-I105 VanDerWaalsContact O-CG1 3.23Å; H101-I105 WeakPolarHBondContact O-CG1 3.39Å; H101-I105 PolarHBondContact O-N 3.42Å
102	V	94.8	Very high	91.9	Very high	87 Å²	87	51.4 Å²	51.4	53%	0.527	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-45.8	176.4	170.5	0	0	0	0	110.2	A98 P99 I105 L106	A98-V102 WeakPolarHBondContact O-CG2 3.37Å; A98-V102 PolarHBondContact O-N 3.44Å; P99-V102 PolarHBondContact O-N 3.07Å; V102-I105 PolarHBondContact O-N 3.22Å; V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.16Å
103	L	96.7	Very high	92.6	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.1	179.7	59.9	0	0	0	112.2	P99 Y100 H101 I105 L106 F107 Y221 L224 L228	P99-L103 WeakPolarHBondContact O-CB 3.39Å; P99-L103 PolarHBondContact O-N 3.28Å; Y100-L103 PolarHBondContact O-N 3.08Å; H101-L103 VanDerWaalsContact C-N 3.29Å; H101-L103 PolarHBondContact O-N 3.46Å; L103-I105 PolarHBondContact O-N 3.06Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.3Å; L103-F107 PolarHBondContact O-N 3.4Å; L103-Y221 HydrophobicContact CD1-CD1 3.6Å; L103-Y221 HydrophobicContact CD1-CE1 4.47Å; L103-Y221 HydrophobicContact CD1-CG 4.3Å; L103-L224 HydrophobicContact CD1-CB 3.91Å; L103-L224 HydrophobicContact CD1-CD1 4.34Å; L103-L224 HydrophobicContact CD2-CB 3.94Å; L103-L228 HydrophobicContact CD2-CD2 4Å
104	F	96.9	Very high	93.5	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176.2	179.5	-105.5	0	0	0	112.2	T13 I71 Y75 Y100 H101 F107 L108 Y225	T13-F104 HydrophobicContact CG2-CE1 4.04Å; I71-F104 HydrophobicContact CG2-CD2 4.33Å; I71-F104 HydrophobicContact CG2-CE2 3.5Å; I71-F104 HydrophobicContact CG2-CZ 4.24Å; Y75-F104 HydrophobicContact CD2-CB 4.48Å; Y75-F104 AromaticContact CD2-CD1 3.65Å; Y75-F104 HydrophobicContact CD2-CD1 3.65Å; Y75-F104 AromaticContact CD2-CD2 3.7Å; Y75-F104 HydrophobicContact CD2-CD2 3.7Å; Y75-F104 AromaticContact CD2-CE1 3.61Å; Y75-F104 HydrophobicContact CD2-CE1 3.61Å; Y75-F104 AromaticContact CD2-CE2 3.65Å; Y75-F104 HydrophobicContact CD2-CE2 3.65Å; Y75-F104 AromaticContact CD2-CG 3.68Å; Y75-F104 HydrophobicContact CD2-CG 3.68Å; Y75-F104 AromaticContact CD2-CZ 3.59Å; Y75-F104 HydrophobicContact CD2-CZ 3.59Å; Y75-F104 AromaticContact CE2-CD1 3.71Å; Y75-F104 HydrophobicContact CE2-CD1 3.71Å; Y75-F104 AromaticContact CE2-CE1 3.84Å; Y75-F104 HydrophobicContact CE2-CE1 3.84Å; Y75-F104 HydrophobicContact CE2-CG 4.07Å; Y75-F104 HydrophobicContact CE2-CZ 4.29Å; Y75-F104 HydrophobicContact CG-CD2 4.4Å; Y75-F104 HydrophobicContact CG-CE1 4.13Å; Y75-F104 AromaticContact CG-CE2 3.91Å; Y75-F104 HydrophobicContact CG-CE2 3.91Å; Y75-F104 AromaticContact CG-CZ 3.76Å; Y75-F104 HydrophobicContact CG-CZ 3.76Å; Y100-F104 WeakPolarHBondContact O-CB 3.12Å; Y100-F104 PolarHBondContact O-N 2.9Å; H101-F104 PolarHBondContact O-N 3.09Å; F104-F107 PolarHBondContact O-N 3.31Å; F104-L108 HydrophobicContact CD1-CD1 4.01Å; F104-L108 HydrophobicContact CE1-CD1 3.36Å; F104-L108 HydrophobicContact CE1-CG 4.25Å; F104-L108 HydrophobicContact CE2-CD1 4.14Å; F104-L108 HydrophobicContact CE2-CG 4.31Å; F104-L108 HydrophobicContact CZ-CD1 3.45Å; F104-L108 VanDerWaalsContact CZ-CD1 3.45Å; F104-L108 HydrophobicContact CZ-CG 4.11Å; F104-L108 PolarHBondContact O-N 3.37Å; F104-Y225 HydrophobicContact CB-CE2 4.25Å; F104-Y225 HydrophobicContact CD2-CD2 4.43Å; F104-Y225 AromaticContact CD2-CE2 3.63Å; F104-Y225 HydrophobicContact CD2-CE2 3.63Å; F104-Y225 AromaticContact CD2-CZ 3.92Å; F104-Y225 HydrophobicContact CG-CE2 4.42Å
105	I	97.4	Very high	94.2	Very high	102 Å²	102	44 Å²	44	52%	0.523	22%	0.221	S	C	.	.	H	α-helix	trans	-63.9	-46.3	176.9	-68.3	166.8	0	0	0	110.6	H101 V102 L103 F107 L108 W109	H101-I105 WeakPolarHBondContact O-CB 3.23Å; H101-I105 VanDerWaalsContact O-CG1 3.23Å; H101-I105 WeakPolarHBondContact O-CG1 3.39Å; H101-I105 PolarHBondContact O-N 3.42Å; V102-I105 PolarHBondContact O-N 3.22Å; L103-I105 PolarHBondContact O-N 3.06Å; I105-F107 VanDerWaalsContact C-N 3.31Å; I105-F107 PolarHBondContact O-N 3.3Å; I105-L108 PolarHBondContact O-N 2.87Å; I105-W109 WeakPolarHBondContact O-CB 3.36Å; I105-W109 PolarHBondContact O-N 2.84Å
106	L	98	Very high	94.8	Very high	28 Å²	28	39.5 Å²	39.5	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-37.9	177.6	-72.7	169.1	0	0	0	112	V102 L103 W109 S110 Y221 L330	V102-L106 HydrophobicContact CG1-CD1 3.91Å; V102-L106 WeakPolarHBondContact O-CB 3.35Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 3.16Å; L103-L106 PolarHBondContact O-N 2.83Å; L106-W109 HydrophobicContact CD2-CE3 4.21Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.7Å; L106-S110 PolarHBondContact O-OG 3.17Å; L106-Y221 HydrophobicContact CB-CD1 4.17Å; L106-Y221 HydrophobicContact CB-CD2 3.97Å; L106-Y221 HydrophobicContact CB-CE1 4.12Å; L106-Y221 HydrophobicContact CB-CE2 3.9Å; L106-Y221 HydrophobicContact CB-CG 4.1Å; L106-Y221 HydrophobicContact CD1-CE1 3.83Å; L106-Y221 HydrophobicContact CD2-CE2 4.46Å; L106-L330 HydrophobicContact CD2-CD2 4.3Å
107	F	98.2	Very high	95.5	Very high	17 Å²	17	36.6 Å²	36.6	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-51.1	176.2	179.2	-143.7	0	0	0	111.6	I71 L103 F104 I105 W109 S110 F111 L218 Y225	I71-F107 HydrophobicContact CD1-CD1 4.34Å; I71-F107 HydrophobicContact CD1-CE1 3.48Å; I71-F107 VanDerWaalsContact CD1-CE1 3.48Å; I71-F107 HydrophobicContact CD1-CZ 3.61Å; I71-F107 HydrophobicContact CG1-CE1 3.7Å; I71-F107 HydrophobicContact CG1-CZ 4.16Å; I71-F107 HydrophobicContact CG2-CE1 4.33Å; L103-F107 VanDerWaalsContact O-CB 3.3Å; L103-F107 WeakPolarHBondContact O-CB 3.3Å; L103-F107 PolarHBondContact O-N 3.4Å; F104-F107 PolarHBondContact O-N 3.31Å; I105-F107 VanDerWaalsContact C-N 3.31Å; I105-F107 PolarHBondContact O-N 3.3Å; F107-W109 PolarHBondContact O-N 3.35Å; F107-S110 PolarHBondContact O-N 2.86Å; F107-F111 PolarHBondContact O-N 2.71Å; F107-L218 HydrophobicContact CD2-CD1 3.77Å; F107-L218 HydrophobicContact CE2-CD1 3.44Å; F107-L218 VanDerWaalsContact CE2-CD1 3.44Å; F107-Y225 AromaticContact CD1-CD1 3.9Å; F107-Y225 HydrophobicContact CD1-CD1 3.9Å; F107-Y225 HydrophobicContact CD1-CD2 4.46Å; F107-Y225 HydrophobicContact CD1-CE1 4.45Å; F107-Y225 AromaticContact CD1-CG 3.9Å; F107-Y225 HydrophobicContact CD1-CG 3.9Å; F107-Y225 AromaticContact CE1-CD1 3.77Å; F107-Y225 HydrophobicContact CE1-CD1 3.77Å; F107-Y225 HydrophobicContact CE1-CE1 4.26Å; F107-Y225 HydrophobicContact CE1-CG 4.22Å
108	L	97.7	Very high	96	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-40.4	176.1	-75.9	-176.7	0	0	0	112.5	L68 I71 F104 I105 S110 F111 W112	L68-L108 HydrophobicContact CD2-CD2 4.33Å; I71-L108 HydrophobicContact CG2-CD2 3.83Å; F104-L108 HydrophobicContact CD1-CD1 4.01Å; F104-L108 HydrophobicContact CE1-CD1 3.36Å; F104-L108 HydrophobicContact CE1-CG 4.25Å; F104-L108 HydrophobicContact CE2-CD1 4.14Å; F104-L108 HydrophobicContact CE2-CG 4.31Å; F104-L108 HydrophobicContact CZ-CD1 3.45Å; F104-L108 VanDerWaalsContact CZ-CD1 3.45Å; F104-L108 HydrophobicContact CZ-CG 4.11Å; F104-L108 PolarHBondContact O-N 3.37Å; I105-L108 PolarHBondContact O-N 2.87Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.08Å; L108-F111 PolarHBondContact O-N 3.08Å; L108-W112 WeakPolarHBondContact O-CB 3.31Å; L108-W112 PolarHBondContact O-N 3.12Å
109	W	98.2	Very high	96.4	Very high	93 Å²	93	37.3 Å²	37.3	35%	0.352	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-41.4	176.4	-175.9	15.8	0	0	0	111.3	I105 L106 F107 W112 K113 L330 P331 V332	I105-W109 WeakPolarHBondContact O-CB 3.36Å; I105-W109 PolarHBondContact O-N 2.84Å; L106-W109 HydrophobicContact CD2-CE3 4.21Å; F107-W109 PolarHBondContact O-N 3.35Å; W109-W112 PolarHBondContact O-N 3.26Å; W109-K113 WeakPolarHBondContact O-CB 3.48Å; W109-K113 VanDerWaalsContact O-CG 3.29Å; W109-K113 WeakPolarHBondContact O-CG 3.42Å; W109-K113 PolarHBondContact O-N 3.32Å; W109-L330 HydrophobicContact CH2-CB 4.47Å; W109-L330 HydrophobicContact CH2-CD2 4.4Å; W109-L330 HydrophobicContact CZ3-CD2 3.97Å; W109-P331 HydrophobicContact CB-CG 4.29Å; W109-P331 HydrophobicContact CD2-CB 4Å; W109-P331 HydrophobicContact CD2-CG 3.82Å; W109-P331 HydrophobicContact CE3-CG 4.12Å; W109-P331 HydrophobicContact CG-CB 4.02Å; W109-P331 HydrophobicContact CG-CG 3.91Å; W109-V332 HydrophobicContact CH2-CG1 4.14Å; W109-V332 HydrophobicContact CZ2-CG1 3.89Å
110	S	98.5	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-39.9	175	-56.2	0	0	0	0	112.2	L106 F107 L108 K113 S114 Y221 P331	L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.7Å; L106-S110 PolarHBondContact O-OG 3.17Å; F107-S110 PolarHBondContact O-N 2.86Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.08Å; S110-K113 PolarHBondContact O-N 3.28Å; S110-S114 WeakPolarHBondContact O-CB 3.15Å; S110-S114 PolarHBondContact O-N 3.2Å; S110-S114 PolarHBondContact O-OG 3.24Å; S110-Y221 WeakPolarHBondContact OG-CD2 3.26Å; S110-P331 WeakPolarHBondContact OG-CG 3.46Å
111	F	98.1	Very high	96.7	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.022	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-52.8	174.4	-174.2	-91	0	0	0	110.5	A64 I67 L68 F107 L108 K113 S114 T115 I203 L218	A64-F111 HydrophobicContact CB-CZ 4.22Å; I67-F111 HydrophobicContact CB-CE2 4.28Å; I67-F111 HydrophobicContact CG2-CD2 4.3Å; I67-F111 HydrophobicContact CG2-CE2 3.67Å; I67-F111 HydrophobicContact CG2-CZ 4.25Å; L68-F111 HydrophobicContact CD1-CE1 4.03Å; L68-F111 HydrophobicContact CD2-CD1 3.75Å; L68-F111 HydrophobicContact CD2-CE1 3.57Å; L68-F111 HydrophobicContact CD2-CZ 4.26Å; L68-F111 HydrophobicContact CG-CD1 4.39Å; L68-F111 HydrophobicContact CG-CE1 3.7Å; L68-F111 HydrophobicContact CG-CZ 4.11Å; F107-F111 PolarHBondContact O-N 2.71Å; L108-F111 PolarHBondContact O-N 3.08Å; F111-K113 PolarHBondContact O-N 2.75Å; F111-S114 PolarHBondContact O-N 3.18Å; F111-S114 VanDerWaalsContact O-N 3.14Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 2.73Å; F111-T115 PolarHBondContact O-OG1 3.26Å; F111-T115 VanDerWaalsContact O-OG1 3.07Å; F111-I203 HydrophobicContact CD2-CG2 4.47Å; F111-I203 HydrophobicContact CE2-CG2 4.23Å; F111-L218 HydrophobicContact CB-CD1 3.79Å; F111-L218 HydrophobicContact CD2-CD1 3.95Å; F111-L218 HydrophobicContact CD2-CD2 4.23Å; F111-L218 HydrophobicContact CG-CD1 4.39Å
112	W	97.6	Very high	96.8	Very high	65 Å²	65	41 Å²	41	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-52.8	-51.4	176.9	-178.7	-81.9	0	0	0	112.2	I19 T20 D23 L108 W109 S114 T115 Y116	I19-W112 HydrophobicContact CG2-CH2 3.94Å; I19-W112 HydrophobicContact CG2-CZ3 4.15Å; T20-W112 HydrophobicContact CG2-CE3 3.87Å; T20-W112 HydrophobicContact CG2-CZ3 3.96Å; D23-W112 HydrophobicContact CB-CH2 3.8Å; D23-W112 HydrophobicContact CB-CZ3 4.28Å; D23-W112 WeakPolarHBondContact OD2-CH2 3.5Å; L108-W112 WeakPolarHBondContact O-CB 3.31Å; L108-W112 PolarHBondContact O-N 3.12Å; W109-W112 PolarHBondContact O-N 3.26Å; W112-S114 VanDerWaalsContact C-N 3.32Å; W112-S114 PolarHBondContact O-N 2.96Å; W112-T115 PolarHBondContact O-N 2.83Å; W112-Y116 AromaticContact CD2-CD2 3.46Å; W112-Y116 HydrophobicContact CD2-CD2 3.46Å; W112-Y116 VanDerWaalsContact CD2-CD2 3.46Å; W112-Y116 AromaticContact CD2-CE2 3.72Å; W112-Y116 HydrophobicContact CD2-CE2 3.72Å; W112-Y116 AromaticContact CE2-CD2 3.53Å; W112-Y116 AromaticContact CE3-CD2 3.82Å; W112-Y116 HydrophobicContact CE3-CD2 3.82Å; W112-Y116 AromaticContact CE3-CE2 3.55Å; W112-Y116 HydrophobicContact CE3-CE2 3.55Å; W112-Y116 AromaticContact CG-CD2 3.85Å; W112-Y116 HydrophobicContact CG-CD2 3.85Å; W112-Y116 HydrophobicContact CG-CE2 4.43Å; W112-Y116 HydrophobicContact CH2-CD2 4.35Å; W112-Y116 HydrophobicContact CH2-CE2 4.1Å; W112-Y116 AromaticContact CZ2-CD2 3.98Å; W112-Y116 HydrophobicContact CZ2-CD2 3.98Å; W112-Y116 HydrophobicContact CZ2-CE2 4.2Å; W112-Y116 HydrophobicContact CZ3-CD2 4.28Å; W112-Y116 AromaticContact CZ3-CE2 3.78Å; W112-Y116 HydrophobicContact CZ3-CE2 3.78Å; W112-Y116 AromaticContact NE1-CD2 3.92Å; W112-Y116 WeakPolarHBondContact O-CB 3.25Å; W112-Y116 WeakPolarHBondContact O-CD2 3.14Å; W112-Y116 PolarHBondContact O-N 2.87Å
113	K	98.3	Very high	96.8	Very high	57 Å²	57	39.4 Å²	39.4	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-33.6	-178.7	-70.8	-68.6	-62.8	172.2	0	112.4	W109 S110 F111 T117 Y214 P331	W109-K113 WeakPolarHBondContact O-CB 3.48Å; W109-K113 VanDerWaalsContact O-CG 3.29Å; W109-K113 WeakPolarHBondContact O-CG 3.42Å; W109-K113 PolarHBondContact O-N 3.32Å; S110-K113 PolarHBondContact O-N 3.28Å; F111-K113 PolarHBondContact O-N 2.75Å; K113-T117 WeakPolarHBondContact O-CB 3.42Å; K113-T117 PolarHBondContact O-N 3.28Å; K113-T117 PolarHBondContact O-OG1 3.07Å; K113-Y214 HydrophobicContact CB-CD1 4.03Å; K113-Y214 HydrophobicContact CB-CD2 3.82Å; K113-Y214 HydrophobicContact CB-CE1 4.44Å; K113-Y214 HydrophobicContact CB-CE2 4.29Å; K113-Y214 HydrophobicContact CB-CG 3.69Å; K113-Y214 VanDerWaalsContact CE-CZ 3.46Å; K113-Y214 WeakPolarHBondContact CE-OH 3.16Å; K113-Y214 WeakPolarHBondContact O-CD2 3.35Å; K113-P331 HydrophobicContact CB-CB 4.23Å; K113-P331 WeakPolarHBondContact CE-O 3.27Å; K113-P331 HydrophobicContact CG-CB 3.94Å; K113-P331 WeakPolarHBondContact CG-O 3.35Å
114	S	98.1	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-42.9	175.8	-57.4	0	0	0	0	111.8	S110 F111 W112 N205 N211 Y214 F215	S110-S114 WeakPolarHBondContact O-CB 3.15Å; S110-S114 PolarHBondContact O-N 3.2Å; S110-S114 PolarHBondContact O-OG 3.24Å; F111-S114 PolarHBondContact O-N 3.18Å; F111-S114 VanDerWaalsContact O-N 3.14Å; W112-S114 VanDerWaalsContact C-N 3.32Å; W112-S114 PolarHBondContact O-N 2.96Å; S114-N205 PolarHBondContact O-ND2 2.77Å; S114-N211 PolarHBondContact O-ND2 2.99Å; S114-N211 VanDerWaalsContact O-ND2 3.1Å; S114-Y214 WeakPolarHBondContact OG-CB 3.29Å; S114-Y214 PolarHBondContact OG-O 2.9Å; S114-F215 PolarHBondContact OG-N 3.34Å
115	T	96.1	Very high	96.6	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-51.1	-178.7	-61	0	0	0	0	112.2	F111 W112 I203 N205	F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 PolarHBondContact O-N 2.73Å; F111-T115 PolarHBondContact O-OG1 3.26Å; F111-T115 VanDerWaalsContact O-OG1 3.07Å; W112-T115 PolarHBondContact O-N 2.83Å; T115-I203 WeakPolarHBondContact CG2-O 3.43Å; T115-I203 PolarHBondContact OG1-O 2.93Å; T115-N205 PolarHBondContact O-ND2 2.69Å
116	Y	95.4	Very high	96.5	Very high	33 Å²	33	46.2 Å²	46.2	13%	0.129	23%	0.227	C	C	.	.	H	α-helix	trans	-99.6	-6.6	-166.7	-63.7	-65.9	0	0	0	115.8	T20 D23 I24 N27 W112 Q118	T20-Y116 HydrophobicContact CG2-CE2 4.22Å; T20-Y116 PolarHBondContact O-OH 3.23Å; D23-Y116 HydrophobicContact CB-CE1 4.12Å; D23-Y116 HydrophobicContact CB-CE2 4.35Å; D23-Y116 WeakPolarHBondContact CB-OH 3.15Å; I24-Y116 WeakPolarHBondContact CA-OH 3.46Å; I24-Y116 WeakPolarHBondContact CG1-OH 3.38Å; I24-Y116 PolarHBondContact N-OH 3.31Å; N27-Y116 HydrophobicContact CB-CE1 4.2Å; N27-Y116 WeakPolarHBondContact ND2-CD1 3.47Å; N27-Y116 WeakPolarHBondContact ND2-CE1 3.42Å; W112-Y116 AromaticContact CD2-CD2 3.46Å; W112-Y116 HydrophobicContact CD2-CD2 3.46Å; W112-Y116 VanDerWaalsContact CD2-CD2 3.46Å; W112-Y116 AromaticContact CD2-CE2 3.72Å; W112-Y116 HydrophobicContact CD2-CE2 3.72Å; W112-Y116 AromaticContact CE2-CD2 3.53Å; W112-Y116 AromaticContact CE3-CD2 3.82Å; W112-Y116 HydrophobicContact CE3-CD2 3.82Å; W112-Y116 AromaticContact CE3-CE2 3.55Å; W112-Y116 HydrophobicContact CE3-CE2 3.55Å; W112-Y116 AromaticContact CG-CD2 3.85Å; W112-Y116 HydrophobicContact CG-CD2 3.85Å; W112-Y116 HydrophobicContact CG-CE2 4.43Å; W112-Y116 HydrophobicContact CH2-CD2 4.35Å; W112-Y116 HydrophobicContact CH2-CE2 4.1Å; W112-Y116 AromaticContact CZ2-CD2 3.98Å; W112-Y116 HydrophobicContact CZ2-CD2 3.98Å; W112-Y116 HydrophobicContact CZ2-CE2 4.2Å; W112-Y116 HydrophobicContact CZ3-CD2 4.28Å; W112-Y116 AromaticContact CZ3-CE2 3.78Å; W112-Y116 HydrophobicContact CZ3-CE2 3.78Å; W112-Y116 AromaticContact NE1-CD2 3.92Å; W112-Y116 WeakPolarHBondContact O-CB 3.25Å; W112-Y116 WeakPolarHBondContact O-CD2 3.14Å; W112-Y116 PolarHBondContact O-N 2.87Å; Y116-Q118 PolarHBondContact O-N 2.61Å
117	T	96.9	Very high	96.4	Very high	27 Å²	27	49.1 Å²	49.1	17%	0.166	24%	0.237	C	C	.	.	S	Bend	trans	-67.8	122.1	172.5	-59.4	0	0	0	0	108.9	K113 N205 H210 Y214	K113-T117 WeakPolarHBondContact O-CB 3.42Å; K113-T117 PolarHBondContact O-N 3.28Å; K113-T117 PolarHBondContact O-OG1 3.07Å; T117-N205 PolarHBondContact O-ND2 3.47Å; T117-H210 HydrophobicContact CG2-CB 4.21Å; T117-H210 PolarHBondContact O-CD2 3.12Å; T117-H210 VanDerWaalsContact O-CD2 3.28Å; T117-Y214 HydrophobicContact CG2-CE2 4Å; T117-Y214 VanDerWaalsContact OG1-CE2 3.25Å; T117-Y214 WeakPolarHBondContact OG1-CE2 3.49Å
118	Q	96.1	Very high	96.2	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-68.3	143.4	179.4	-67	-62.5	-26.8	0	0	111.5	Y116 T120 H210	Y116-Q118 PolarHBondContact O-N 2.61Å; Q118-T120 PolarHBondContact O-N 3.2Å; Q118-H210 VanDerWaalsContact C-CD2 3.48Å; Q118-H210 WeakPolarHBondContact O-CB 3.41Å; Q118-H210 PolarHBondContact O-CD2 3.41Å
119	I	96	Very high	96.1	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.5	128.6	174.4	-60.3	163.9	0	0	0	109.5	T121 C189 R191 V193 C206	I119-T121 PolarHBondContact O-N 3.28Å; I119-C189 HydrophobicContact CD1-CB 3.92Å; I119-R191 VanDerWaalsContact CB-CZ 3.49Å; I119-R191 HydrophobicContact CD1-CG 4.13Å; I119-R191 VanDerWaalsContact CD1-CZ 3.43Å; I119-V193 HydrophobicContact CD1-CG2 3.8Å; I119-V193 HydrophobicContact CG2-CB 4.31Å; I119-V193 HydrophobicContact CG2-CG1 4Å; I119-V193 HydrophobicContact CG2-CG2 4.22Å; I119-C206 HydrophobicContact CD1-CB 3.89Å; I119-C206 HydrophobicContact CG1-CB 4.37Å
120	T	94.7	Very high	95.9	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.252	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-51.4	131	174.2	-60.4	0	0	0	0	110.8	Q118 P194 Y209 H210	Q118-T120 PolarHBondContact O-N 3.2Å; T120-P194 HydrophobicContact CG2-CG 4.49Å; T120-P194 WeakPolarHBondContact O-CD 3.31Å; T120-P194 WeakPolarHBondContact O-CG 3.35Å; T120-Y209 HydrophobicContact CG2-CD1 4.4Å; T120-H210 WeakPolarHBondContact OG1-CB 3.46Å
121	T	93.4	Very high	95.7	Very high	119 Å²	119	56.7 Å²	56.7	73%	0.73	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-73.9	138.5	177.2	49.2	0	0	0	0	110.7	I119	I119-T121 PolarHBondContact O-N 3.28Å
122	I	95.9	Very high	95.5	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.051	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-77.2	136	173.3	-64.7	170.4	0	0	0	108.3	F126 Y127 L177 P180 T183 C192 P194	I122-F126 HydrophobicContact CG2-CB 3.63Å; I122-F126 HydrophobicContact CG2-CD2 3.93Å; I122-F126 HydrophobicContact CG2-CG 3.89Å; I122-Y127 HydrophobicContact CB-CE2 3.94Å; I122-Y127 HydrophobicContact CG2-CE2 4.06Å; I122-Y127 WeakPolarHBondContact O-CE2 3.48Å; I122-L177 HydrophobicContact CD1-CD1 4.18Å; I122-L177 HydrophobicContact CD1-CD2 3.98Å; I122-P180 HydrophobicContact CD1-CG 4.39Å; I122-P180 HydrophobicContact CG1-CG 4.4Å; I122-P180 HydrophobicContact CG2-CG 3.81Å; I122-T183 HydrophobicContact CD1-CG2 3.79Å; I122-C192 HydrophobicContact CD1-CB 3.46Å; I122-C192 VanDerWaalsContact CD1-CB 3.46Å; I122-P194 HydrophobicContact CG1-CG 3.87Å
123	P	95.3	Very high	95.4	Very high	54 Å²	54	56.2 Å²	56.2	35%	0.351	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-58.5	145.7	176.7	-28.7	38.6	0	0	0	113.4	N125 F126 V340	P123-N125 WeakPolarHBondContact CB-OD1 3.33Å; P123-N125 PolarHBondContact O-N 3.5Å; P123-N125 VanDerWaalsContact O-N 3.15Å; P123-F126 HydrophobicContact CB-CD2 4.09Å; P123-F126 HydrophobicContact CB-CE2 4.34Å; P123-F126 HydrophobicContact CG-CD2 4.44Å; P123-F126 HydrophobicContact CG-CE2 4.36Å; P123-F126 PolarHBondContact O-N 3.33Å; P123-F126 VanDerWaalsContact O-N 3.12Å; P123-V340 HydrophobicContact CG-CG2 4.09Å
124	K	94.3	Very high	95.2	Very high	188 Å²	188	59.6 Å²	59.6	82%	0.817	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.1	-28.2	-172.2	-69.5	-175.3	-179.3	177.5	0	114.2	F126 Y127	K124-F126 PolarHBondContact O-N 3.19Å; K124-Y127 WeakPolarHBondContact O-CB 3.42Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y127 VanDerWaalsContact O-N 3.08Å
125	N	93.9	Very high	95	Very high	84 Å²	84	62.4 Å²	62.4	45%	0.449	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.6	-22.7	178.4	60	-38	0	0	0	113.3	P123 K156 L158	P123-N125 WeakPolarHBondContact CB-OD1 3.33Å; P123-N125 PolarHBondContact O-N 3.5Å; P123-N125 VanDerWaalsContact O-N 3.15Å; N125-K156 WeakPolarHBondContact O-CD 3.41Å; N125-L158 HydrophobicContact CB-CD2 4.31Å; N125-L158 WeakPolarHBondContact ND2-CD2 3.34Å
126	F	95.9	Very high	94.9	Very high	5 Å²	5	62.6 Å²	62.6	2%	0.022	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-76.4	-23.7	173.8	-71.7	-91.4	0	0	0	113.1	I122 P123 K124 L158 P159 L160 L177 L178 P180 V340	I122-F126 HydrophobicContact CG2-CB 3.63Å; I122-F126 HydrophobicContact CG2-CD2 3.93Å; I122-F126 HydrophobicContact CG2-CG 3.89Å; P123-F126 HydrophobicContact CB-CD2 4.09Å; P123-F126 HydrophobicContact CB-CE2 4.34Å; P123-F126 HydrophobicContact CG-CD2 4.44Å; P123-F126 HydrophobicContact CG-CE2 4.36Å; P123-F126 PolarHBondContact O-N 3.33Å; P123-F126 VanDerWaalsContact O-N 3.12Å; K124-F126 PolarHBondContact O-N 3.19Å; F126-L158 HydrophobicContact CD1-CD1 3.78Å; F126-L158 HydrophobicContact CD1-CD2 4.2Å; F126-L158 HydrophobicContact CD1-CG 4.45Å; F126-L158 HydrophobicContact CD2-CD2 4.44Å; F126-L158 HydrophobicContact CE1-CB 4.26Å; F126-L158 HydrophobicContact CE1-CD1 4.15Å; F126-L158 HydrophobicContact CE1-CD2 4.19Å; F126-L158 HydrophobicContact CE1-CG 4.43Å; F126-L158 HydrophobicContact CE2-CD2 4.42Å; F126-L158 HydrophobicContact CG-CD1 4.38Å; F126-L158 HydrophobicContact CG-CD2 4.34Å; F126-L158 HydrophobicContact CZ-CD2 4.31Å; F126-P159 HydrophobicContact CZ-CG 4.5Å; F126-L160 HydrophobicContact CE1-CD2 3.92Å; F126-L177 CarbonylContact O-C 3.54Å; F126-L177 WeakPolarHBondContact O-CA 3.48Å; F126-L177 WeakPolarHBondContact O-CB 3.25Å; F126-L178 VanDerWaalsContact CD1-O 3.31Å; F126-L178 WeakPolarHBondContact CD1-O 3.18Å; F126-L178 PolarHBondContact O-N 3.31Å; F126-P180 HydrophobicContact CD1-CB 4.2Å; F126-P180 HydrophobicContact CD1-CG 3.61Å; F126-P180 HydrophobicContact CD2-CG 4.31Å; F126-P180 HydrophobicContact CE1-CB 3.73Å; F126-P180 HydrophobicContact CE1-CG 3.63Å; F126-P180 HydrophobicContact CE2-CG 4.32Å; F126-P180 HydrophobicContact CG-CG 3.96Å; F126-P180 HydrophobicContact CZ-CB 4.04Å; F126-P180 HydrophobicContact CZ-CG 3.99Å; F126-V340 HydrophobicContact CE2-CB 4.39Å; F126-V340 HydrophobicContact CE2-CG2 4.34Å; F126-V340 HydrophobicContact CZ-CB 4.38Å
127	Y	96.1	Very high	94.7	Very high	90 Å²	90	65.8 Å²	65.8	35%	0.353	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-77	148.5	178.7	-70.2	-98.6	0	0	0	110.8	I122 K124 K156 L177	I122-Y127 HydrophobicContact CB-CE2 3.94Å; I122-Y127 HydrophobicContact CG2-CE2 4.06Å; I122-Y127 WeakPolarHBondContact O-CE2 3.48Å; K124-Y127 WeakPolarHBondContact O-CB 3.42Å; K124-Y127 PolarHBondContact O-N 2.88Å; K124-Y127 VanDerWaalsContact O-N 3.08Å; Y127-K156 PolarHBondContact O-NZ 3.29Å; Y127-L177 HydrophobicContact CD1-CB 3.95Å; Y127-L177 HydrophobicContact CD1-CD2 4.06Å; Y127-L177 HydrophobicContact CE1-CB 4.28Å; Y127-L177 HydrophobicContact CE1-CD2 3.51Å; Y127-L177 HydrophobicContact CE2-CD2 4.16Å; Y127-L177 HydrophobicContact CG-CB 4.11Å
128	L	94.8	Very high	94.5	Very high	16 Å²	16	70.3 Å²	70.3	8%	0.084	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.2	142.1	168.6	-86.7	54	0	0	0	109.7	E132 T133 F136 F148 L152 F171 F176	L128-E132 WeakPolarHBondContact CA-OE2 3.47Å; L128-E132 HydrophobicContact CB-CB 3.95Å; L128-E132 HydrophobicContact CD2-CB 4.34Å; L128-E132 HydrophobicContact CG-CB 3.88Å; L128-T133 WeakPolarHBondContact CB-OG1 3.48Å; L128-F136 HydrophobicContact CD2-CB 4.14Å; L128-F136 HydrophobicContact CD2-CG 4.41Å; L128-F148 HydrophobicContact CD2-CE1 4.36Å; L128-L152 HydrophobicContact CD1-CD2 3.6Å; L128-L152 HydrophobicContact CG-CD2 3.8Å; L128-F171 HydrophobicContact CD1-CE2 3.66Å; L128-F171 HydrophobicContact CD1-CZ 4.47Å; L128-F171 HydrophobicContact CD2-CE2 3.99Å; L128-F171 HydrophobicContact CD2-CZ 4.01Å; L128-F171 HydrophobicContact CG-CE2 4.49Å; L128-F176 HydrophobicContact CB-CB 4.45Å; L128-F176 PolarHBondContact N-O 3.38Å
129	T	94.5	Very high	94.4	Very high	72 Å²	72	67.7 Å²	67.7	44%	0.442	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-69.3	166.4	166.6	69.5	0	0	0	0	109.8	N131 E132 T133	T129-N131 VanDerWaalsContact C-N 3.26Å; T129-N131 PolarHBondContact O-N 3.01Å; T129-E132 PolarHBondContact N-OE2 3.41Å; T129-E132 PolarHBondContact O-N 3.19Å; T129-E132 VanDerWaalsContact OG1-CD 3.29Å; T129-E132 VanDerWaalsContact OG1-CG 3.25Å; T129-E132 WeakPolarHBondContact OG1-CG 3.18Å; T129-E132 PolarHBondContact OG1-N 3.03Å; T129-T133 WeakPolarHBondContact O-CB 3.45Å; T129-T133 PolarHBondContact O-N 3.43Å; T129-T133 PolarHBondContact O-OG1 3.34Å
130	A	93.8	Very high	94.1	Very high	83 Å²	83	76.1 Å²	76.1	69%	0.686	40%	0.4	S	S	*	.	H	α-helix	trans	-57.1	-41.1	177.4	0	0	0	0	0	112.1	T133 K134	A130-T133 PolarHBondContact O-N 3.32Å; A130-K134 PolarHBondContact O-N 2.91Å
131	N	94.7	Very high	94	Very high	124 Å²	124	77.4 Å²	77.4	66%	0.663	41%	0.406	S	S	*	.	H	α-helix	trans	-67.7	-45.5	177.7	-68.7	-8.2	0	0	0	111.7	T129 T133 K134 C135	T129-N131 VanDerWaalsContact C-N 3.26Å; T129-N131 PolarHBondContact O-N 3.01Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.2Å; N131-K134 PolarHBondContact O-N 3.02Å; N131-C135 PolarHBondContact O-N 3.2Å; N131-C135 PolarHBondContact O-SG 3.15Å; N131-C135 VanDerWaalsContact O-SG 3.33Å
132	E	94.7	Very high	93.8	Very high	41 Å²	41	77.2 Å²	77.2	19%	0.192	40%	0.4	C	S	.	.	H	α-helix	trans	-61.2	-37.1	176.6	-70	162.4	-175.7	0	0	111.8	L128 T129 F136 F148 L152 K156	L128-E132 WeakPolarHBondContact CA-OE2 3.47Å; L128-E132 HydrophobicContact CB-CB 3.95Å; L128-E132 HydrophobicContact CD2-CB 4.34Å; L128-E132 HydrophobicContact CG-CB 3.88Å; T129-E132 PolarHBondContact N-OE2 3.41Å; T129-E132 PolarHBondContact O-N 3.19Å; T129-E132 VanDerWaalsContact OG1-CD 3.29Å; T129-E132 VanDerWaalsContact OG1-CG 3.25Å; T129-E132 WeakPolarHBondContact OG1-CG 3.18Å; T129-E132 PolarHBondContact OG1-N 3.03Å; E132-F136 VanDerWaalsContact O-CB 3.29Å; E132-F136 WeakPolarHBondContact O-CB 3.44Å; E132-F136 PolarHBondContact O-N 3.48Å; E132-F148 HydrophobicContact CB-CZ 4.16Å; E132-L152 HydrophobicContact CG-CD1 4.17Å; E132-K156 VanDerWaalsContact OE1-CE 3.32Å; E132-K156 WeakPolarHBondContact OE1-CE 3.36Å; E132-K156 IonicContact OE1-NZ 4Å; E132-K156 VanDerWaalsContact OE2-CE 3.32Å; E132-K156 WeakPolarHBondContact OE2-CE 3.37Å; E132-K156 IonicContact OE2-NZ 3.47Å; E132-K156 PolarHBondContact OE2-NZ 3.48Å
133	T	94.2	Very high	93.6	Very high	19 Å²	19	82.8 Å²	82.8	12%	0.117	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-45	177.5	-56.9	0	0	0	0	110.7	L128 T129 A130 N131 F136 I137 F176	L128-T133 WeakPolarHBondContact CB-OG1 3.48Å; T129-T133 WeakPolarHBondContact O-CB 3.45Å; T129-T133 PolarHBondContact O-N 3.43Å; T129-T133 PolarHBondContact O-OG1 3.34Å; A130-T133 PolarHBondContact O-N 3.32Å; N131-T133 VanDerWaalsContact C-N 3.25Å; N131-T133 PolarHBondContact O-N 3.2Å; T133-F136 PolarHBondContact O-N 3.33Å; T133-I137 HydrophobicContact CG2-CD1 3.85Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.35Å; T133-I137 PolarHBondContact O-N 3.34Å; T133-F176 HydrophobicContact CG2-CD1 3.73Å; T133-F176 HydrophobicContact CG2-CD2 4.37Å; T133-F176 HydrophobicContact CG2-CE1 3.93Å; T133-F176 HydrophobicContact CG2-CG 3.96Å; T133-F176 HydrophobicContact CG2-CZ 4.34Å
134	K	94	Very high	93.5	Very high	127 Å²	127	83.1 Å²	83.1	55%	0.552	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-51.8	175.5	-175.7	-177.9	173.2	-176.1	0	110.9	A130 N131 F136 I137 E138	A130-K134 PolarHBondContact O-N 2.91Å; N131-K134 PolarHBondContact O-N 3.02Å; K134-F136 VanDerWaalsContact C-N 3.32Å; K134-F136 PolarHBondContact O-N 3.31Å; K134-I137 PolarHBondContact O-N 3.49Å; K134-E138 WeakPolarHBondContact CE-OE1 3.19Å; K134-E138 IonicContact NZ-OE1 3.87Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 2.83Å; K134-E138 VanDerWaalsContact O-N 3.11Å
135	C	94.1	Very high	93.5	Very high	59 Å²	59	78 Å²	78	40%	0.399	40%	0.4	S	S	.	.	H	α-helix	trans	-57.9	-44.1	177.5	-66	0	0	0	0	111.8	N131 I137 E138 L139 F148	N131-C135 PolarHBondContact O-N 3.2Å; N131-C135 PolarHBondContact O-SG 3.15Å; N131-C135 VanDerWaalsContact O-SG 3.33Å; C135-I137 VanDerWaalsContact C-N 3.34Å; C135-I137 PolarHBondContact O-N 2.67Å; C135-E138 PolarHBondContact O-N 2.86Å; C135-L139 WeakPolarHBondContact O-CG 3.49Å; C135-L139 PolarHBondContact O-N 3.1Å; C135-F148 HydrophobicContact CB-CE2 4.03Å; C135-F148 HydrophobicContact CB-CZ 4.22Å
136	F	93.5	Very high	93.4	Very high	19 Å²	19	75.9 Å²	75.9	8%	0.083	39%	0.392	C	S	.	.	H	α-helix	trans	-61.5	-39.8	179.3	178.2	-95.9	0	0	0	113.1	L128 E132 T133 K134 L139 R145 F148 V149 F171 F176	L128-F136 HydrophobicContact CD2-CB 4.14Å; L128-F136 HydrophobicContact CD2-CG 4.41Å; E132-F136 VanDerWaalsContact O-CB 3.29Å; E132-F136 WeakPolarHBondContact O-CB 3.44Å; E132-F136 PolarHBondContact O-N 3.48Å; T133-F136 PolarHBondContact O-N 3.33Å; K134-F136 VanDerWaalsContact C-N 3.32Å; K134-F136 PolarHBondContact O-N 3.31Å; F136-L139 PolarHBondContact O-N 2.67Å; F136-R145 HydrophobicContact CD2-CB 4.43Å; F136-R145 HydrophobicContact CD2-CG 4.32Å; F136-R145 HydrophobicContact CE2-CB 3.72Å; F136-R145 HydrophobicContact CE2-CG 3.86Å; F136-R145 HydrophobicContact CZ-CB 4.24Å; F136-R145 HydrophobicContact CZ-CG 4.17Å; F136-F148 HydrophobicContact CB-CD1 4.27Å; F136-F148 HydrophobicContact CB-CE1 3.95Å; F136-F148 AromaticContact CD2-CD1 3.87Å; F136-F148 HydrophobicContact CD2-CD1 3.87Å; F136-F148 HydrophobicContact CD2-CE1 4.29Å; F136-V149 HydrophobicContact CD2-CG2 4.07Å; F136-V149 HydrophobicContact CE2-CG2 3.72Å; F136-F171 HydrophobicContact CD1-CE1 4.34Å; F136-F171 HydrophobicContact CD1-CZ 4.38Å; F136-F171 AromaticContact CE1-CE1 3.62Å; F136-F171 HydrophobicContact CE1-CE1 3.62Å; F136-F171 HydrophobicContact CE1-CZ 4.09Å; F136-F171 HydrophobicContact CE2-CD1 4.33Å; F136-F171 AromaticContact CE2-CE1 3.85Å; F136-F171 HydrophobicContact CE2-CE1 3.85Å; F136-F171 HydrophobicContact CE2-CZ 4.29Å; F136-F171 AromaticContact CZ-CD1 3.97Å; F136-F171 HydrophobicContact CZ-CD1 3.97Å; F136-F171 AromaticContact CZ-CE1 3.33Å; F136-F171 HydrophobicContact CZ-CE1 3.33Å; F136-F171 HydrophobicContact CZ-CZ 4.05Å; F136-F176 HydrophobicContact CD1-CD1 4.32Å; F136-F176 HydrophobicContact CD1-CE1 4.09Å; F136-F176 HydrophobicContact CE1-CE1 4.4Å
137	I	92.1	Very high	93.3	Very high	99 Å²	99	80 Å²	80	51%	0.508	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-35.2	179.6	-68.7	167.1	0	0	0	111.3	T133 K134 C135 L139 F176	T133-I137 HydrophobicContact CG2-CD1 3.85Å; T133-I137 VanDerWaalsContact O-CG1 3.28Å; T133-I137 WeakPolarHBondContact O-CG1 3.35Å; T133-I137 PolarHBondContact O-N 3.34Å; K134-I137 PolarHBondContact O-N 3.49Å; C135-I137 VanDerWaalsContact C-N 3.34Å; C135-I137 PolarHBondContact O-N 2.67Å; I137-L139 PolarHBondContact O-N 2.83Å; I137-F176 HydrophobicContact CD1-CE1 4.11Å; I137-F176 HydrophobicContact CD1-CZ 4.07Å; I137-F176 HydrophobicContact CG1-CE1 4.04Å; I137-F176 HydrophobicContact CG1-CZ 4.36Å
138	E	93.8	Very high	93.3	Very high	122 Å²	122	78.2 Å²	78.2	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-69.4	-18.7	178.5	-72.2	171.5	174.6	0	0	113.3	K134 C135 E140	K134-E138 WeakPolarHBondContact CE-OE1 3.19Å; K134-E138 IonicContact NZ-OE1 3.87Å; K134-E138 WeakPolarHBondContact O-CG 3.47Å; K134-E138 PolarHBondContact O-N 2.83Å; K134-E138 VanDerWaalsContact O-N 3.11Å; C135-E138 PolarHBondContact O-N 2.86Å; E138-E140 PolarHBondContact O-N 3.27Å
139	L	93.3	Very high	93.2	Very high	43 Å²	43	77.7 Å²	77.7	23%	0.225	40%	0.403	C	S	.	.			trans	-69	125.8	175.5	-63.8	171.2	0	0	0	111	C135 F136 I137 D144 R145 F148	C135-L139 WeakPolarHBondContact O-CG 3.49Å; C135-L139 PolarHBondContact O-N 3.1Å; F136-L139 PolarHBondContact O-N 2.67Å; I137-L139 PolarHBondContact O-N 2.83Å; L139-D144 HydrophobicContact CD2-CB 4.08Å; L139-R145 HydrophobicContact CB-CG 3.68Å; L139-R145 HydrophobicContact CD1-CG 4.08Å; L139-R145 VanDerWaalsContact O-CZ 3.26Å; L139-R145 PolarHBondContact O-NE 3.2Å; L139-R145 PolarHBondContact O-NH2 2.94Å; L139-F148 HydrophobicContact CD1-CB 3.66Å; L139-F148 HydrophobicContact CD1-CD2 4.28Å; L139-F148 HydrophobicContact CD1-CG 3.95Å
140	E	90	Very high	93.1	Very high	184 Å²	184	76.2 Å²	76.2	86%	0.86	39%	0.392	S	S	*	.			trans	-79.4	-41.5	-174.2	-64.4	-174.5	167.5	0	0	113.4	E138	E138-E140 PolarHBondContact O-N 3.27Å
141	N	91.9	Very high	93.1	Very high	68 Å²	68	76.5 Å²	76.5	36%	0.364	38%	0.382	S	S	.	.	S	Bend	trans	-109.2	154.9	-172.8	72.3	62.1	0	0	0	112.9	H143 D144 R145	N141-H143 VanDerWaalsContact C-N 3.28Å; N141-H143 PolarHBondContact O-N 3.4Å; N141-H143 WeakPolarHBondContact OD1-CB 3.34Å; N141-H143 PolarHBondContact OD1-N 2.86Å; N141-H143 VanDerWaalsContact OD1-N 3.15Å; N141-D144 VanDerWaalsContact ND2-CG 3.31Å; N141-D144 PolarHBondContact ND2-OD2 3.22Å; N141-D144 WeakPolarHBondContact OD1-CB 3.4Å; N141-D144 PolarHBondContact OD1-N 3.45Å; N141-D144 PolarHBondContact OD1-OD1 3.49Å; N141-D144 PolarHBondContact OD1-OD2 2.94Å; N141-R145 WeakPolarHBondContact O-CG 3.49Å; N141-R145 PolarHBondContact O-N 3.27Å
142	D	89.5	Confident	93.1	Very high	115 Å²	115	71.3 Å²	71.3	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-70.5	-22.4	-176.4	-72.2	-20.6	0	0	0	113.8	R145 S146	D142-R145 IonicContact OD1-NH1 2.83Å; D142-S146 WeakPolarHBondContact O-CB 3.44Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.78Å
143	H	92.1	Very high	92.9	Very high	127 Å²	127	69.5 Å²	69.5	59%	0.588	35%	0.346	S	S	*	.	H	α-helix	trans	-67.1	-53.1	176.9	174.5	-84.2	0	0	0	109.8	N141 R145 S146 E147	N141-H143 VanDerWaalsContact C-N 3.28Å; N141-H143 PolarHBondContact O-N 3.4Å; N141-H143 WeakPolarHBondContact OD1-CB 3.34Å; N141-H143 PolarHBondContact OD1-N 2.86Å; N141-H143 VanDerWaalsContact OD1-N 3.15Å; H143-R145 VanDerWaalsContact C-N 3.3Å; H143-R145 PolarHBondContact O-N 2.57Å; H143-S146 WeakPolarHBondContact O-CA 3.42Å; H143-S146 WeakPolarHBondContact O-CB 3.47Å; H143-S146 PolarHBondContact O-N 3.02Å; H143-E147 IonicContact CE1-OE2 2.77Å; H143-E147 PolarHBondContact CE1-OE2 3.24Å; H143-E147 IonicContact ND1-OE2 2.68Å; H143-E147 PolarHBondContact O-N 3.41Å
144	D	93.6	Very high	92.8	Very high	61 Å²	61	73.6 Å²	73.6	33%	0.326	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-37.1	-178.4	-59.6	-11.4	0	0	0	110.9	L139 N141 S146 E147 F148	L139-D144 HydrophobicContact CD2-CB 4.08Å; N141-D144 VanDerWaalsContact ND2-CG 3.31Å; N141-D144 PolarHBondContact ND2-OD2 3.22Å; N141-D144 WeakPolarHBondContact OD1-CB 3.4Å; N141-D144 PolarHBondContact OD1-N 3.45Å; N141-D144 PolarHBondContact OD1-OD1 3.49Å; N141-D144 PolarHBondContact OD1-OD2 2.94Å; D144-S146 VanDerWaalsContact C-N 3.34Å; D144-S146 PolarHBondContact O-N 3.24Å; D144-E147 PolarHBondContact O-N 2.96Å; D144-F148 VanDerWaalsContact O-CB 3.24Å; D144-F148 WeakPolarHBondContact O-CB 3.49Å; D144-F148 PolarHBondContact O-N 2.9Å
145	R	93.1	Very high	92.7	Very high	80 Å²	80	72.7 Å²	72.7	30%	0.302	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-43.4	170.8	-74.2	177.8	179.9	166.8	1	112.2	F136 L139 N141 D142 H143 V149	F136-R145 HydrophobicContact CD2-CB 4.43Å; F136-R145 HydrophobicContact CD2-CG 4.32Å; F136-R145 HydrophobicContact CE2-CB 3.72Å; F136-R145 HydrophobicContact CE2-CG 3.86Å; F136-R145 HydrophobicContact CZ-CB 4.24Å; F136-R145 HydrophobicContact CZ-CG 4.17Å; L139-R145 HydrophobicContact CB-CG 3.68Å; L139-R145 HydrophobicContact CD1-CG 4.08Å; L139-R145 VanDerWaalsContact O-CZ 3.26Å; L139-R145 PolarHBondContact O-NE 3.2Å; L139-R145 PolarHBondContact O-NH2 2.94Å; N141-R145 WeakPolarHBondContact O-CG 3.49Å; N141-R145 PolarHBondContact O-N 3.27Å; D142-R145 IonicContact OD1-NH1 2.83Å; H143-R145 VanDerWaalsContact C-N 3.3Å; H143-R145 PolarHBondContact O-N 2.57Å; R145-V149 WeakPolarHBondContact O-CB 3.32Å; R145-V149 WeakPolarHBondContact O-CG2 3.48Å; R145-V149 PolarHBondContact O-N 3.26Å; R145-V149 VanDerWaalsContact O-N 3.1Å
146	S	92.7	Very high	92.7	Very high	39 Å²	39	72 Å²	72	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-66.6	-43.3	178.3	-63	0	0	0	0	111.8	D142 H143 D144 V149 N150 N168	D142-S146 WeakPolarHBondContact O-CB 3.44Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.78Å; H143-S146 WeakPolarHBondContact O-CA 3.42Å; H143-S146 WeakPolarHBondContact O-CB 3.47Å; H143-S146 PolarHBondContact O-N 3.02Å; D144-S146 VanDerWaalsContact C-N 3.34Å; D144-S146 PolarHBondContact O-N 3.24Å; S146-V149 PolarHBondContact O-N 3.3Å; S146-N150 WeakPolarHBondContact O-CB 3.41Å; S146-N150 VanDerWaalsContact O-CG 3.27Å; S146-N150 PolarHBondContact O-N 3.32Å; S146-N150 PolarHBondContact O-ND2 3.41Å; S146-N168 WeakPolarHBondContact CB-ND2 3.34Å; S146-N168 PolarHBondContact OG-ND2 3.43Å
147	E	93.8	Very high	92.5	Very high	93 Å²	93	79.5 Å²	79.5	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-46.4	176.5	-174.5	175.3	171.3	0	0	111.5	H143 D144 V149 N150 N151	H143-E147 IonicContact CE1-OE2 2.77Å; H143-E147 PolarHBondContact CE1-OE2 3.24Å; H143-E147 IonicContact ND1-OE2 2.68Å; H143-E147 PolarHBondContact O-N 3.41Å; D144-E147 PolarHBondContact O-N 2.96Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 2.89Å; E147-N150 WeakPolarHBondContact O-CB 3.35Å; E147-N150 PolarHBondContact O-N 3.38Å; E147-N151 WeakPolarHBondContact O-CB 3.47Å; E147-N151 VanDerWaalsContact O-CG 3.3Å; E147-N151 PolarHBondContact O-N 3.04Å; E147-N151 PolarHBondContact O-ND2 2.8Å
148	F	94.9	Very high	92.4	Very high	51 Å²	51	75.4 Å²	75.4	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-54.6	-49.5	175.1	177.6	-90.5	0	0	0	111.8	L128 E132 C135 F136 L139 D144 N151 L152	L128-F148 HydrophobicContact CD2-CE1 4.36Å; E132-F148 HydrophobicContact CB-CZ 4.16Å; C135-F148 HydrophobicContact CB-CE2 4.03Å; C135-F148 HydrophobicContact CB-CZ 4.22Å; F136-F148 HydrophobicContact CB-CD1 4.27Å; F136-F148 HydrophobicContact CB-CE1 3.95Å; F136-F148 AromaticContact CD2-CD1 3.87Å; F136-F148 HydrophobicContact CD2-CD1 3.87Å; F136-F148 HydrophobicContact CD2-CE1 4.29Å; L139-F148 HydrophobicContact CD1-CB 3.66Å; L139-F148 HydrophobicContact CD1-CD2 4.28Å; L139-F148 HydrophobicContact CD1-CG 3.95Å; D144-F148 VanDerWaalsContact O-CB 3.24Å; D144-F148 WeakPolarHBondContact O-CB 3.49Å; D144-F148 PolarHBondContact O-N 2.9Å; F148-N151 PolarHBondContact O-N 3.46Å; F148-L152 HydrophobicContact CE1-CD2 4.24Å; F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 2.95Å
149	V	93.8	Very high	92	Very high	6 Å²	6	73 Å²	73	4%	0.036	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-40.4	179.5	170.2	0	0	0	0	111.4	F136 R145 S146 E147 L152 S153 A169 F171 L178	F136-V149 HydrophobicContact CD2-CG2 4.07Å; F136-V149 HydrophobicContact CE2-CG2 3.72Å; R145-V149 WeakPolarHBondContact O-CB 3.32Å; R145-V149 WeakPolarHBondContact O-CG2 3.48Å; R145-V149 PolarHBondContact O-N 3.26Å; R145-V149 VanDerWaalsContact O-N 3.1Å; S146-V149 PolarHBondContact O-N 3.3Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 2.89Å; V149-L152 PolarHBondContact O-N 2.74Å; V149-S153 PolarHBondContact O-N 3.14Å; V149-A169 HydrophobicContact CG1-CB 3.99Å; V149-F171 HydrophobicContact CG1-CB 3.74Å; V149-F171 HydrophobicContact CG1-CD2 4.12Å; V149-F171 HydrophobicContact CG1-CG 4.09Å; V149-F171 HydrophobicContact CG2-CB 4.36Å; V149-F171 HydrophobicContact CG2-CD1 4.27Å; V149-F171 HydrophobicContact CG2-CD2 4.01Å; V149-F171 HydrophobicContact CG2-CE2 4.4Å; V149-F171 HydrophobicContact CG2-CG 3.95Å; V149-L178 HydrophobicContact CG1-CD2 3.41Å; V149-L178 VanDerWaalsContact CG1-CD2 3.41Å
150	N	92.5	Very high	91.8	Very high	40 Å²	40	71.4 Å²	71.4	21%	0.214	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-50.8	175.5	-79.2	-28.4	0	0	0	111.3	S146 E147 L152 S153 V154 N168 A169	S146-N150 WeakPolarHBondContact O-CB 3.41Å; S146-N150 VanDerWaalsContact O-CG 3.27Å; S146-N150 PolarHBondContact O-N 3.32Å; S146-N150 PolarHBondContact O-ND2 3.41Å; E147-N150 WeakPolarHBondContact O-CB 3.35Å; E147-N150 PolarHBondContact O-N 3.38Å; N150-L152 VanDerWaalsContact C-N 3.3Å; N150-L152 PolarHBondContact O-N 2.07Å; N150-S153 WeakPolarHBondContact O-CB 3.2Å; N150-S153 PolarHBondContact O-N 2.94Å; N150-S153 VanDerWaalsContact O-N 3.12Å; N150-S153 PolarHBondContact O-OG 3.3Å; N150-V154 PolarHBondContact O-N 3.1Å; N150-N168 PolarHBondContact ND2-OD1 2.93Å; N150-N168 WeakPolarHBondContact OD1-CA 3.5Å; N150-A169 WeakPolarHBondContact OD1-CB 3.21Å; N150-A169 PolarHBondContact OD1-N 3.43Å
151	N	93.6	Very high	91.7	Very high	90 Å²	90	65.2 Å²	65.2	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-43.7	178.1	-70.6	-19	0	0	0	110.6	E147 F148 S153 V154 T155	E147-N151 WeakPolarHBondContact O-CB 3.47Å; E147-N151 VanDerWaalsContact O-CG 3.3Å; E147-N151 PolarHBondContact O-N 3.04Å; E147-N151 PolarHBondContact O-ND2 2.8Å; F148-N151 PolarHBondContact O-N 3.46Å; N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 PolarHBondContact O-N 3.42Å; N151-V154 PolarHBondContact O-N 3.01Å; N151-V154 VanDerWaalsContact O-N 3.12Å; N151-T155 PolarHBondContact O-N 3.26Å; N151-T155 PolarHBondContact O-OG1 3.43Å; N151-T155 VanDerWaalsContact O-OG1 3.08Å
152	L	93.8	Very high	91.7	Very high	15 Å²	15	62.1 Å²	62.1	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-37.8	177	-166.5	64.7	0	0	0	112.4	L128 E132 F148 V149 N150 V154 T155 K156 L178	L128-L152 HydrophobicContact CD1-CD2 3.6Å; L128-L152 HydrophobicContact CG-CD2 3.8Å; E132-L152 HydrophobicContact CG-CD1 4.17Å; F148-L152 HydrophobicContact CE1-CD2 4.24Å; F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.46Å; F148-L152 PolarHBondContact O-N 2.95Å; V149-L152 PolarHBondContact O-N 2.74Å; N150-L152 VanDerWaalsContact C-N 3.3Å; N150-L152 PolarHBondContact O-N 2.07Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 3.46Å; L152-T155 PolarHBondContact O-N 3.19Å; L152-K156 HydrophobicContact CD1-CD 4.16Å; L152-K156 HydrophobicContact CD1-CG 4.15Å; L152-K156 HydrophobicContact CD2-CD 4.44Å; L152-K156 HydrophobicContact CG-CD 3.95Å; L152-K156 HydrophobicContact CG-CG 4.24Å; L152-K156 VanDerWaalsContact O-CB 3.32Å; L152-K156 WeakPolarHBondContact O-CB 3.18Å; L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 2.84Å; L152-L178 HydrophobicContact CB-CD1 4.32Å; L152-L178 HydrophobicContact CD2-CD1 4.11Å; L152-L178 HydrophobicContact CG-CD1 4.05Å
153	S	91.6	Very high	91.7	Very high	3 Å²	3	57 Å²	57	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-32.8	177.2	85	0	0	0	0	113.1	V149 N150 N151 R300	V149-S153 PolarHBondContact O-N 3.14Å; N150-S153 WeakPolarHBondContact O-CB 3.2Å; N150-S153 PolarHBondContact O-N 2.94Å; N150-S153 VanDerWaalsContact O-N 3.12Å; N150-S153 PolarHBondContact O-OG 3.3Å; N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 PolarHBondContact O-N 3.42Å; S153-R300 PolarHBondContact OG-NH2 3.43Å
154	V	90.7	Very high	91.5	Very high	104 Å²	104	51.8 Å²	51.8	63%	0.63	28%	0.277	S	S	*	.	H	α-helix	trans	-77.2	-50.1	175.4	178.3	0	0	0	0	110.1	N150 N151 L152 K156 Q157	N150-V154 PolarHBondContact O-N 3.1Å; N151-V154 PolarHBondContact O-N 3.01Å; N151-V154 VanDerWaalsContact O-N 3.12Å; L152-V154 VanDerWaalsContact C-N 3.26Å; L152-V154 PolarHBondContact O-N 3.46Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 2.88Å; V154-Q157 PolarHBondContact O-N 3.32Å
155	T	92.7	Very high	91	Very high	108 Å²	108	57.9 Å²	57.9	66%	0.663	30%	0.3	S	S	*	.	H	α-helix	trans	-59.1	-38.8	-179.1	-57.7	0	0	0	0	112.5	N151 L152 Q157	N151-T155 PolarHBondContact O-N 3.26Å; N151-T155 PolarHBondContact O-OG1 3.43Å; N151-T155 VanDerWaalsContact O-OG1 3.08Å; L152-T155 PolarHBondContact O-N 3.19Å; T155-Q157 VanDerWaalsContact C-N 3.25Å; T155-Q157 PolarHBondContact O-N 2.88Å
156	K	92.8	Very high	90.5	Very high	46 Å²	46	64.5 Å²	64.5	20%	0.2	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.8	178	-70.6	-172.4	167.9	176.6	0	114.5	N125 Y127 E132 L152 V154 L158 L178	N125-K156 WeakPolarHBondContact O-CD 3.41Å; Y127-K156 PolarHBondContact O-NZ 3.29Å; E132-K156 VanDerWaalsContact OE1-CE 3.32Å; E132-K156 WeakPolarHBondContact OE1-CE 3.36Å; E132-K156 IonicContact OE1-NZ 4Å; E132-K156 VanDerWaalsContact OE2-CE 3.32Å; E132-K156 WeakPolarHBondContact OE2-CE 3.37Å; E132-K156 IonicContact OE2-NZ 3.47Å; E132-K156 PolarHBondContact OE2-NZ 3.48Å; L152-K156 HydrophobicContact CD1-CD 4.16Å; L152-K156 HydrophobicContact CD1-CG 4.15Å; L152-K156 HydrophobicContact CD2-CD 4.44Å; L152-K156 HydrophobicContact CG-CD 3.95Å; L152-K156 HydrophobicContact CG-CG 4.24Å; L152-K156 VanDerWaalsContact O-CB 3.32Å; L152-K156 WeakPolarHBondContact O-CB 3.18Å; L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 2.84Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 2.88Å; K156-L158 HydrophobicContact CB-CD1 4.16Å; K156-L158 HydrophobicContact CB-CD2 4.21Å; K156-L158 HydrophobicContact CB-CG 3.74Å; K156-L158 HydrophobicContact CD-CD1 4.49Å; K156-L158 PolarHBondContact O-N 3.24Å; K156-L158 VanDerWaalsContact O-N 3.12Å; K156-L178 HydrophobicContact CD-CD1 4.24Å
157	Q	90.8	Very high	90.1	Very high	176 Å²	176	69.3 Å²	69.3	82%	0.822	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.9	-179.9	-58	179.7	7.5	0	0	113	V154 T155	V154-Q157 PolarHBondContact O-N 3.32Å; T155-Q157 VanDerWaalsContact C-N 3.25Å; T155-Q157 PolarHBondContact O-N 2.88Å
158	L	88.5	Confident	89.8	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.063	33%	0.331	C	S	.	.			trans	-73.9	142.7	-177.5	-61.9	175.9	0	0	0	110.2	N125 F126 K156 L160 L178	N125-L158 HydrophobicContact CB-CD2 4.31Å; N125-L158 WeakPolarHBondContact ND2-CD2 3.34Å; F126-L158 HydrophobicContact CD1-CD1 3.78Å; F126-L158 HydrophobicContact CD1-CD2 4.2Å; F126-L158 HydrophobicContact CD1-CG 4.45Å; F126-L158 HydrophobicContact CD2-CD2 4.44Å; F126-L158 HydrophobicContact CE1-CB 4.26Å; F126-L158 HydrophobicContact CE1-CD1 4.15Å; F126-L158 HydrophobicContact CE1-CD2 4.19Å; F126-L158 HydrophobicContact CE1-CG 4.43Å; F126-L158 HydrophobicContact CE2-CD2 4.42Å; F126-L158 HydrophobicContact CG-CD1 4.38Å; F126-L158 HydrophobicContact CG-CD2 4.34Å; F126-L158 HydrophobicContact CZ-CD2 4.31Å; K156-L158 HydrophobicContact CB-CD1 4.16Å; K156-L158 HydrophobicContact CB-CD2 4.21Å; K156-L158 HydrophobicContact CB-CG 3.74Å; K156-L158 HydrophobicContact CD-CD1 4.49Å; K156-L158 PolarHBondContact O-N 3.24Å; K156-L158 VanDerWaalsContact O-N 3.12Å; L158-L160 HydrophobicContact CB-CD1 4.12Å; L158-L160 HydrophobicContact CB-CG 3.84Å; L158-L160 HydrophobicContact CD1-CD1 4.36Å; L158-L160 PolarHBondContact O-N 2.94Å; L158-L178 HydrophobicContact CD1-CB 3.85Å; L158-L178 HydrophobicContact CD1-CD1 3.59Å; L158-L178 HydrophobicContact CD1-CG 4.35Å
159	P	86.3	Confident	89.7	Confident	71 Å²	71	64.8 Å²	64.8	46%	0.461	32%	0.324	S	S	.	.			trans	-77.2	61.6	-180	34.2	-37.2	0	0	0	111.2	F126	F126-P159 HydrophobicContact CZ-CG 4.5Å
160	L	89.2	Confident	89.7	Confident	10 Å²	10	66.4 Å²	66.4	5%	0.052	33%	0.331	C	S	.	.			trans	-94.8	112.4	-178.7	-60.6	177.9	0	0	0	110.2	F126 L158 K179 R300	F126-L160 HydrophobicContact CE1-CD2 3.92Å; L158-L160 HydrophobicContact CB-CD1 4.12Å; L158-L160 HydrophobicContact CB-CG 3.84Å; L158-L160 HydrophobicContact CD1-CD1 4.36Å; L158-L160 PolarHBondContact O-N 2.94Å; L160-K179 WeakPolarHBondContact CD2-O 3.31Å; L160-R300 WeakPolarHBondContact O-CD 3.05Å; L160-R300 PolarHBondContact O-NH1 3.45Å
161	L	88.7	Confident	89.8	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.283	33%	0.328	S	S	.	.			trans	-94.4	-22.7	-179.7	-55.7	170.2	0	0	0	111.7	D181 F299 R300 F309 F342 I344	L161-D181 WeakPolarHBondContact CB-OD2 3.3Å; L161-D181 WeakPolarHBondContact CG-OD2 3.44Å; L161-D181 PolarHBondContact N-OD1 3.22Å; L161-D181 PolarHBondContact N-OD2 3.45Å; L161-F299 HydrophobicContact CB-CD1 4.43Å; L161-F299 WeakPolarHBondContact O-CA 3.3Å; L161-R300 PolarHBondContact O-N 2.87Å; L161-F309 HydrophobicContact CD1-CE1 4.45Å; L161-F342 WeakPolarHBondContact CD1-O 3.25Å; L161-I344 HydrophobicContact CD1-CG1 4.32Å; L161-I344 HydrophobicContact CD1-CG2 3.59Å; L161-I344 HydrophobicContact CD2-CD1 4.35Å
162	T	90.6	Very high	89.8	Confident	3 Å²	3	62 Å²	62	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	155.4	-175.2	67.6	0	0	0	0	113.2	Q170 D181 P297 N298 F299 F309	T162-Q170 PolarHBondContact OG1-NE2 3.09Å; T162-D181 WeakPolarHBondContact CB-OD1 3.47Å; T162-D181 PolarHBondContact N-OD1 3.04Å; T162-D181 PolarHBondContact OG1-OD1 3.42Å; T162-P297 HydrophobicContact CG2-CB 3.88Å; T162-N298 CarbonylContact C-O 3.59Å; T162-N298 WeakPolarHBondContact CA-O 3.28Å; T162-N298 WeakPolarHBondContact CB-O 3.42Å; T162-F299 HydrophobicContact CG2-CD1 4.05Å; T162-F299 HydrophobicContact CG2-CE1 3.95Å; T162-F299 HydrophobicContact CG2-CZ 4.33Å; T162-F309 HydrophobicContact CG2-CE2 4.12Å; T162-F309 HydrophobicContact CG2-CZ 3.83Å
163	V	90	Very high	89.7	Confident	9 Å²	9	66.1 Å²	66.1	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.6	176.7	-69.8	0	0	0	0	110.9	F167 N298 R300	V163-F167 WeakPolarHBondContact CG1-O 3.34Å; V163-F167 HydrophobicContact CG2-CB 4.38Å; V163-F167 HydrophobicContact CG2-CD1 3.85Å; V163-N298 HydrophobicContact CG2-CB 3.75Å; V163-N298 PolarHBondContact N-O 2.82Å; V163-R300 HydrophobicContact CG1-CG 3.45Å; V163-R300 VanDerWaalsContact CG1-CG 3.45Å
164	G	87.7	Confident	89.7	Confident	17 Å²	17	70.8 Å²	70.8	18%	0.175	35%	0.352	C	S	.	.			trans	-82	-148.9	175.5	0	0	0	0	0	112.4	N168	G164-N168 PolarHBondContact N-O 3.05Å
165	K	82.7	Confident	89.8	Confident	189 Å²	189	67 Å²	67	82%	0.822	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.4	148.1	174.8	-63.9	-176.7	-179.5	-179.9	0	109.9	F167 N168	K165-F167 PolarHBondContact O-N 2.95Å; K165-F167 VanDerWaalsContact O-N 3.13Å; K165-N168 PolarHBondContact O-N 3.02Å
166	R	83.2	Confident	90	Very high	219 Å²	219	64.4 Å²	64.4	83%	0.826	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	54.7	27.9	179.6	-54.8	179.5	-179.6	162.7	-1	113.5	N168	R166-N168 PolarHBondContact O-N 3.39Å
167	F	83.3	Confident	90.1	Very high	140 Å²	140	62.2 Å²	62.2	61%	0.614	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	61.4	17.2	-178.7	-59	-87.2	0	0	0	115.6	V163 K165	V163-F167 WeakPolarHBondContact CG1-O 3.34Å; V163-F167 HydrophobicContact CG2-CB 4.38Å; V163-F167 HydrophobicContact CG2-CD1 3.85Å; K165-F167 PolarHBondContact O-N 2.95Å; K165-F167 VanDerWaalsContact O-N 3.13Å
168	N	88.6	Confident	90.3	Very high	39 Å²	39	53.8 Å²	53.8	21%	0.209	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-79.2	154.3	176.5	-65.9	-26.5	0	0	0	112.2	S146 N150 G164 K165 R166	S146-N168 WeakPolarHBondContact CB-ND2 3.34Å; S146-N168 PolarHBondContact OG-ND2 3.43Å; N150-N168 PolarHBondContact ND2-OD1 2.93Å; N150-N168 WeakPolarHBondContact OD1-CA 3.5Å; G164-N168 PolarHBondContact N-O 3.05Å; K165-N168 PolarHBondContact O-N 3.02Å; R166-N168 PolarHBondContact O-N 3.39Å
169	A	91.4	Very high	90.7	Very high	9 Å²	9	55.1 Å²	55.1	7%	0.074	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.5	137.7	170.6	0	0	0	0	0	110.5	V149 N150 F171 L178	V149-A169 HydrophobicContact CG1-CB 3.99Å; N150-A169 WeakPolarHBondContact OD1-CB 3.21Å; N150-A169 PolarHBondContact OD1-N 3.43Å; A169-F171 PolarHBondContact O-N 3.32Å; A169-L178 HydrophobicContact CB-CD2 4.08Å
170	Q	93.9	Very high	91.2	Very high	41 Å²	41	51.7 Å²	51.7	19%	0.192	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-75.4	126	-178.2	-63.7	-169.4	76.7	0	0	109.9	T162 K179	T162-Q170 PolarHBondContact OG1-NE2 3.09Å; Q170-K179 HydrophobicContact CB-CB 3.96Å; Q170-K179 HydrophobicContact CB-CD 4.3Å; Q170-K179 PolarHBondContact O-N 2.92Å
171	F	94.8	Very high	91.4	Very high	36 Å²	36	51.3 Å²	51.3	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.7	-175.1	-176.8	-109.2	0	0	0	111.8	L128 F136 V149 A169 D173 F176 L177 K179	L128-F171 HydrophobicContact CD1-CE2 3.66Å; L128-F171 HydrophobicContact CD1-CZ 4.47Å; L128-F171 HydrophobicContact CD2-CE2 3.99Å; L128-F171 HydrophobicContact CD2-CZ 4.01Å; L128-F171 HydrophobicContact CG-CE2 4.49Å; F136-F171 HydrophobicContact CD1-CE1 4.34Å; F136-F171 HydrophobicContact CD1-CZ 4.38Å; F136-F171 AromaticContact CE1-CE1 3.62Å; F136-F171 HydrophobicContact CE1-CE1 3.62Å; F136-F171 HydrophobicContact CE1-CZ 4.09Å; F136-F171 HydrophobicContact CE2-CD1 4.33Å; F136-F171 AromaticContact CE2-CE1 3.85Å; F136-F171 HydrophobicContact CE2-CE1 3.85Å; F136-F171 HydrophobicContact CE2-CZ 4.29Å; F136-F171 AromaticContact CZ-CD1 3.97Å; F136-F171 HydrophobicContact CZ-CD1 3.97Å; F136-F171 AromaticContact CZ-CE1 3.33Å; F136-F171 HydrophobicContact CZ-CE1 3.33Å; F136-F171 HydrophobicContact CZ-CZ 4.05Å; V149-F171 HydrophobicContact CG1-CB 3.74Å; V149-F171 HydrophobicContact CG1-CD2 4.12Å; V149-F171 HydrophobicContact CG1-CG 4.09Å; V149-F171 HydrophobicContact CG2-CB 4.36Å; V149-F171 HydrophobicContact CG2-CD1 4.27Å; V149-F171 HydrophobicContact CG2-CD2 4.01Å; V149-F171 HydrophobicContact CG2-CE2 4.4Å; V149-F171 HydrophobicContact CG2-CG 3.95Å; A169-F171 PolarHBondContact O-N 3.32Å; F171-D173 HydrophobicContact CE1-CB 4.23Å; F171-F176 HydrophobicContact CZ-CD1 4.32Å; F171-L177 WeakPolarHBondContact CD2-O 3.46Å; F171-K179 WeakPolarHBondContact O-CE 3.47Å; F171-K179 PolarHBondContact O-NZ 2.85Å
172	C	95	Very high	91.8	Very high	1 Å²	1	49 Å²	49	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	110.7	168.2	-162.5	0	0	0	0	109.3	C175 F176 L177 K179 H185	C172-C175 HydrophobicContact CB-CB 4.06Å; C172-F176 VanDerWaalsContact O-CA 3.23Å; C172-F176 WeakPolarHBondContact O-CA 3.19Å; C172-F176 PolarHBondContact O-N 2.79Å; C172-L177 HydrophobicContact CB-CD1 4.39Å; C172-L177 HydrophobicContact CB-CG 4.2Å; C172-L177 PolarHBondContact N-O 3.1Å; C172-L177 PolarHBondContact O-N 3.1Å; C172-K179 HydrophobicContact CB-CG 4.26Å; C172-H185 PolarHBondContact SG-ND1 2.7Å
173	D	91.8	Very high	92.1	Very high	102 Å²	102	49 Å²	49	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.6	171.9	55.1	-15.9	0	0	0	112.9	F171 F176	F171-D173 HydrophobicContact CE1-CB 4.23Å; D173-F176 WeakPolarHBondContact O-CE2 3.27Å; D173-F176 WeakPolarHBondContact O-CZ 3.49Å
174	I	91.1	Very high	92.5	Very high	100 Å²	100	51.3 Å²	51.3	51%	0.513	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-40.8	177.4	-58	168.5	0	0	0	111.9
175	C	93.4	Very high	92.9	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.176	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.1	-176.6	-60.6	0	0	0	0	113.9	C172 L177 H185	C172-C175 HydrophobicContact CB-CB 4.06Å; C175-L177 HydrophobicContact CB-CD2 3.55Å; C175-L177 HydrophobicContact CB-CG 3.91Å; C175-L177 PolarHBondContact O-N 3.33Å; C175-H185 PolarHBondContact SG-CE1 3.37Å; C175-H185 PolarHBondContact SG-ND1 2.94Å
176	F	95.6	Very high	93.6	Very high	52 Å²	52	43.5 Å²	43.5	23%	0.228	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	56.2	-171.2	-63.4	-81.3	0	0	0	113.3	L128 T133 F136 I137 F171 C172 D173	L128-F176 HydrophobicContact CB-CB 4.45Å; L128-F176 PolarHBondContact N-O 3.38Å; T133-F176 HydrophobicContact CG2-CD1 3.73Å; T133-F176 HydrophobicContact CG2-CD2 4.37Å; T133-F176 HydrophobicContact CG2-CE1 3.93Å; T133-F176 HydrophobicContact CG2-CG 3.96Å; T133-F176 HydrophobicContact CG2-CZ 4.34Å; F136-F176 HydrophobicContact CD1-CD1 4.32Å; F136-F176 HydrophobicContact CD1-CE1 4.09Å; F136-F176 HydrophobicContact CE1-CE1 4.4Å; I137-F176 HydrophobicContact CD1-CE1 4.11Å; I137-F176 HydrophobicContact CD1-CZ 4.07Å; I137-F176 HydrophobicContact CG1-CE1 4.04Å; I137-F176 HydrophobicContact CG1-CZ 4.36Å; F171-F176 HydrophobicContact CZ-CD1 4.32Å; C172-F176 VanDerWaalsContact O-CA 3.23Å; C172-F176 WeakPolarHBondContact O-CA 3.19Å; C172-F176 PolarHBondContact O-N 2.79Å; D173-F176 WeakPolarHBondContact O-CE2 3.27Å; D173-F176 WeakPolarHBondContact O-CZ 3.49Å
177	L	95.1	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.8	178.4	68.3	87.1	0	0	0	112.6	I122 F126 Y127 F171 C172 C175 K179 C192	I122-L177 HydrophobicContact CD1-CD1 4.18Å; I122-L177 HydrophobicContact CD1-CD2 3.98Å; F126-L177 CarbonylContact O-C 3.54Å; F126-L177 WeakPolarHBondContact O-CA 3.48Å; F126-L177 WeakPolarHBondContact O-CB 3.25Å; Y127-L177 HydrophobicContact CD1-CB 3.95Å; Y127-L177 HydrophobicContact CD1-CD2 4.06Å; Y127-L177 HydrophobicContact CE1-CB 4.28Å; Y127-L177 HydrophobicContact CE1-CD2 3.51Å; Y127-L177 HydrophobicContact CE2-CD2 4.16Å; Y127-L177 HydrophobicContact CG-CB 4.11Å; F171-L177 WeakPolarHBondContact CD2-O 3.46Å; C172-L177 HydrophobicContact CB-CD1 4.39Å; C172-L177 HydrophobicContact CB-CG 4.2Å; C172-L177 PolarHBondContact N-O 3.1Å; C172-L177 PolarHBondContact O-N 3.1Å; C175-L177 HydrophobicContact CB-CD2 3.55Å; C175-L177 HydrophobicContact CB-CG 3.91Å; C175-L177 PolarHBondContact O-N 3.33Å; L177-K179 HydrophobicContact CD1-CB 4.45Å; L177-K179 HydrophobicContact CD1-CG 4.02Å; L177-K179 PolarHBondContact O-N 3.38Å; L177-C192 HydrophobicContact CD1-CB 4.36Å; L177-C192 HydrophobicContact CD2-CB 4.1Å
178	L	96	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	118.4	163	-73.6	159.5	0	0	0	107.3	F126 V149 L152 K156 L158 A169 P180	F126-L178 VanDerWaalsContact CD1-O 3.31Å; F126-L178 WeakPolarHBondContact CD1-O 3.18Å; F126-L178 PolarHBondContact O-N 3.31Å; V149-L178 HydrophobicContact CG1-CD2 3.41Å; V149-L178 VanDerWaalsContact CG1-CD2 3.41Å; L152-L178 HydrophobicContact CB-CD1 4.32Å; L152-L178 HydrophobicContact CD2-CD1 4.11Å; L152-L178 HydrophobicContact CG-CD1 4.05Å; K156-L178 HydrophobicContact CD-CD1 4.24Å; L158-L178 HydrophobicContact CD1-CB 3.85Å; L158-L178 HydrophobicContact CD1-CD1 3.59Å; L158-L178 HydrophobicContact CD1-CG 4.35Å; A169-L178 HydrophobicContact CB-CD2 4.08Å; L178-P180 VanDerWaalsContact O-CD 3.3Å; L178-P180 WeakPolarHBondContact O-CD 3.15Å
179	K	96.3	Very high	94.4	Very high	39 Å²	39	33.9 Å²	33.9	17%	0.17	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-69.2	121.6	-176.1	-69.3	173.2	177.1	155.7	0	108.6	L160 Q170 F171 C172 L177	L160-K179 WeakPolarHBondContact CD2-O 3.31Å; Q170-K179 HydrophobicContact CB-CB 3.96Å; Q170-K179 HydrophobicContact CB-CD 4.3Å; Q170-K179 PolarHBondContact O-N 2.92Å; F171-K179 WeakPolarHBondContact O-CE 3.47Å; F171-K179 PolarHBondContact O-NZ 2.85Å; C172-K179 HydrophobicContact CB-CG 4.26Å; L177-K179 HydrophobicContact CD1-CB 4.45Å; L177-K179 HydrophobicContact CD1-CG 4.02Å; L177-K179 PolarHBondContact O-N 3.38Å
180	P	96.1	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-53.8	159	164.3	-16.1	25.2	0	0	0	110.4	I122 F126 L178 R182 T183 V340	I122-P180 HydrophobicContact CD1-CG 4.39Å; I122-P180 HydrophobicContact CG1-CG 4.4Å; I122-P180 HydrophobicContact CG2-CG 3.81Å; F126-P180 HydrophobicContact CD1-CB 4.2Å; F126-P180 HydrophobicContact CD1-CG 3.61Å; F126-P180 HydrophobicContact CD2-CG 4.31Å; F126-P180 HydrophobicContact CE1-CB 3.73Å; F126-P180 HydrophobicContact CE1-CG 3.63Å; F126-P180 HydrophobicContact CE2-CG 4.32Å; F126-P180 HydrophobicContact CG-CG 3.96Å; F126-P180 HydrophobicContact CZ-CB 4.04Å; F126-P180 HydrophobicContact CZ-CG 3.99Å; L178-P180 VanDerWaalsContact O-CD 3.3Å; L178-P180 WeakPolarHBondContact O-CD 3.15Å; P180-R182 PolarHBondContact O-N 2.95Å; P180-T183 WeakPolarHBondContact O-CB 3.38Å; P180-T183 PolarHBondContact O-N 3.44Å; P180-T183 VanDerWaalsContact O-N 3.16Å; P180-T183 PolarHBondContact O-OG1 3.01Å; P180-V340 HydrophobicContact CB-CB 3.76Å; P180-V340 HydrophobicContact CB-CG1 3.98Å; P180-V340 HydrophobicContact CG-CB 4.03Å; P180-V340 HydrophobicContact CG-CG1 3.79Å
181	D	95.1	Very high	94.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	145.9	176.7	-69.1	-38.7	0	0	0	110.8	L161 T162 T183 F309 F342	L161-D181 WeakPolarHBondContact CB-OD2 3.3Å; L161-D181 WeakPolarHBondContact CG-OD2 3.44Å; L161-D181 PolarHBondContact N-OD1 3.22Å; L161-D181 PolarHBondContact N-OD2 3.45Å; T162-D181 WeakPolarHBondContact CB-OD1 3.47Å; T162-D181 PolarHBondContact N-OD1 3.04Å; T162-D181 PolarHBondContact OG1-OD1 3.42Å; D181-T183 PolarHBondContact O-N 3.37Å; D181-T183 PolarHBondContact O-OG1 2.85Å; D181-F309 HydrophobicContact CB-CZ 4.17Å; D181-F342 HydrophobicContact CB-CD2 4.09Å; D181-F342 VanDerWaalsContact O-CE2 3.27Å; D181-F342 WeakPolarHBondContact O-CE2 3.46Å
182	R	96.2	Very high	94.5	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.026	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	8.8	178.5	-38.8	-178.5	70	171	5.2	114.7	P180 K195 M196 N287 E292 F309 F342	P180-R182 PolarHBondContact O-N 2.95Å; R182-K195 HydrophobicContact CB-CG 4.37Å; R182-K195 CarbonylContact O-C 3.6Å; R182-K195 WeakPolarHBondContact O-CA 3.48Å; R182-K195 PolarHBondContact O-N 2.93Å; R182-M196 PolarHBondContact O-N 3.07Å; R182-M196 VanDerWaalsContact O-N 3.12Å; R182-N287 PolarHBondContact NH1-OD1 3.29Å; R182-N287 PolarHBondContact NH2-O 3.47Å; R182-N287 PolarHBondContact NH2-OD1 3.18Å; R182-E292 WeakPolarHBondContact CB-OE1 3.4Å; R182-E292 WeakPolarHBondContact CG-OE1 3.22Å; R182-E292 IonicContact CZ-OE1 3.64Å; R182-E292 IonicContact CZ-OE2 2.71Å; R182-E292 IonicContact NE-OE1 3.45Å; R182-E292 PolarHBondContact NE-OE1 2.95Å; R182-E292 IonicContact NE-OE2 3.98Å; R182-E292 PolarHBondContact NE-OE2 3.38Å; R182-E292 IonicContact NH2-OE1 3.68Å; R182-E292 IonicContact NH2-OE2 3.76Å; R182-E292 PolarHBondContact NH2-OE2 2.92Å; R182-F309 HydrophobicContact CG-CD2 4.22Å; R182-F309 HydrophobicContact CG-CE1 4.47Å; R182-F309 HydrophobicContact CG-CE2 3.61Å; R182-F309 HydrophobicContact CG-CZ 3.76Å; R182-F342 HydrophobicContact CB-CE2 4.07Å; R182-F342 HydrophobicContact CB-CZ 4.38Å; R182-F342 HydrophobicContact CG-CD2 3.94Å; R182-F342 HydrophobicContact CG-CE2 3.93Å; R182-F342 HydrophobicContact CG-CG 4.46Å; R182-F342 HydrophobicContact CG-CZ 4.43Å
183	T	97.5	Very high	94.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.197	C	C	.	.			trans	-93.2	132.6	179.7	-61.5	0	0	0	0	111	I122 P180 D181 C192 V193	I122-T183 HydrophobicContact CD1-CG2 3.79Å; P180-T183 WeakPolarHBondContact O-CB 3.38Å; P180-T183 PolarHBondContact O-N 3.44Å; P180-T183 VanDerWaalsContact O-N 3.16Å; P180-T183 PolarHBondContact O-OG1 3.01Å; D181-T183 PolarHBondContact O-N 3.37Å; D181-T183 PolarHBondContact O-OG1 2.85Å; T183-C192 HydrophobicContact CG2-CB 3.73Å; T183-V193 WeakPolarHBondContact CA-O 3.46Å
184	H	97.1	Very high	95	Very high	58 Å²	58	31.6 Å²	31.6	27%	0.269	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.6	177.3	-61.9	-91.2	0	0	0	111.1	C192 V193 M196 L291	H184-C192 WeakPolarHBondContact O-CA 3.49Å; H184-V193 PolarHBondContact N-O 2.86Å; H184-V193 PolarHBondContact O-N 3.46Å; H184-M196 HydrophobicContact CB-CB 3.91Å; H184-M196 HydrophobicContact CB-CG 4.33Å; H184-M196 HydrophobicContact CB-SD 3.65Å; H184-L291 HydrophobicContact CB-CD1 3.93Å; H184-L291 VanDerWaalsContact CD2-CD1 3.42Å; H184-L291 WeakPolarHBondContact CD2-CD1 3.15Å
185	H	97.1	Very high	95.3	Very high	38 Å²	38	27.5 Å²	27.5	18%	0.176	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.3	172.8	-173	97.2	0	0	0	109.3	C172 C175	C172-H185 PolarHBondContact SG-ND1 2.7Å; C175-H185 PolarHBondContact SG-CE1 3.37Å; C175-H185 PolarHBondContact SG-ND1 2.94Å
186	C	96.5	Very high	95.5	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.034	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.1	170.5	176.6	0	0	0	0	109.2	S188 C189 M190 R191 V193 M196 C206	C186-S188 VanDerWaalsContact C-N 3.34Å; C186-S188 PolarHBondContact O-N 2.84Å; C186-C189 HydrophobicContact CB-CB 3.94Å; C186-C189 CarbonylContact O-C 3.57Å; C186-C189 PolarHBondContact O-N 3.44Å; C186-C189 PolarHBondContact SG-N 3.47Å; C186-C189 VanDerWaalsContact SG-N 3.41Å; C186-M190 WeakPolarHBondContact O-CA 3.41Å; C186-M190 PolarHBondContact O-N 3.29Å; C186-R191 PolarHBondContact N-O 3.33Å; C186-R191 PolarHBondContact O-N 3.49Å; C186-V193 HydrophobicContact CB-CG2 4.09Å; C186-M196 HydrophobicContact CB-CE 3.78Å; C186-M196 HydrophobicContact CB-SD 3.97Å; C186-C206 WeakPolarHBondContact CB-SG 3.36Å; C186-C206 PolarHBondContact SG-SG 3.31Å
187	S	91.5	Very high	95.7	Very high	89 Å²	89	24.7 Å²	24.7	62%	0.622	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-37.7	177.1	49.3	0	0	0	0	112.5	M190	S187-M190 VanDerWaalsContact O-CG 3.31Å; S187-M190 WeakPolarHBondContact O-CG 3.44Å; S187-M190 PolarHBondContact O-N 3.25Å
188	S	89.5	Confident	95.8	Very high	80 Å²	80	26.9 Å²	26.9	56%	0.559	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.7	176.6	-52.4	0	0	0	0	112.5	C186 H199	C186-S188 VanDerWaalsContact C-N 3.34Å; C186-S188 PolarHBondContact O-N 2.84Å; S188-H199 VanDerWaalsContact CB-CE1 3.43Å; S188-H199 WeakPolarHBondContact CB-CE1 3.5Å; S188-H199 WeakPolarHBondContact CB-NE2 3.36Å
189	C	91	Very high	95.9	Very high	27 Å²	27	29.1 Å²	29.1	18%	0.182	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11	177	-64.6	0	0	0	0	112.6	I119 C186 R191 H199 C206	I119-C189 HydrophobicContact CD1-CB 3.92Å; C186-C189 HydrophobicContact CB-CB 3.94Å; C186-C189 CarbonylContact O-C 3.57Å; C186-C189 PolarHBondContact O-N 3.44Å; C186-C189 PolarHBondContact SG-N 3.47Å; C186-C189 VanDerWaalsContact SG-N 3.41Å; C189-R191 HydrophobicContact CB-CG 4.27Å; C189-R191 WeakPolarHBondContact O-CG 3.42Å; C189-R191 PolarHBondContact O-N 2.87Å; C189-H199 PolarHBondContact SG-ND1 2.89Å; C189-C206 WeakPolarHBondContact CB-SG 3.42Å; C189-C206 WeakPolarHBondContact SG-CB 3.15Å; C189-C206 CovalentContact SG-SG 2.07Å; C189-C206 PolarHBondContact SG-SG 2.92Å
190	M	92	Very high	96	Very high	74 Å²	74	27.8 Å²	27.8	37%	0.365	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	31.8	-174.9	-66.4	-64.8	-61.4	0	0	115	M34 C186 S187	M34-M190 HydrophobicContact CE-CB 3.76Å; M34-M190 HydrophobicContact CE-CE 4.08Å; M34-M190 HydrophobicContact SD-CB 4.38Å; C186-M190 WeakPolarHBondContact O-CA 3.41Å; C186-M190 PolarHBondContact O-N 3.29Å; S187-M190 VanDerWaalsContact O-CG 3.31Å; S187-M190 WeakPolarHBondContact O-CG 3.44Å; S187-M190 PolarHBondContact O-N 3.25Å
191	R	94.1	Very high	95.9	Very high	59 Å²	59	30.8 Å²	30.8	22%	0.223	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.3	179	61.1	-173.2	160.7	163.1	-1.8	112.1	I119 C186 C189	I119-R191 VanDerWaalsContact CB-CZ 3.49Å; I119-R191 HydrophobicContact CD1-CG 4.13Å; I119-R191 VanDerWaalsContact CD1-CZ 3.43Å; C186-R191 PolarHBondContact N-O 3.33Å; C186-R191 PolarHBondContact O-N 3.49Å; C189-R191 HydrophobicContact CB-CG 4.27Å; C189-R191 WeakPolarHBondContact O-CG 3.42Å; C189-R191 PolarHBondContact O-N 2.87Å
192	C	97.5	Very high	96	Very high	7 Å²	7	37.7 Å²	37.7	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.4	168	-72.9	0	0	0	0	110.5	I122 L177 T183 H184	I122-C192 HydrophobicContact CD1-CB 3.46Å; I122-C192 VanDerWaalsContact CD1-CB 3.46Å; L177-C192 HydrophobicContact CD1-CB 4.36Å; L177-C192 HydrophobicContact CD2-CB 4.1Å; T183-C192 HydrophobicContact CG2-CB 3.73Å; H184-C192 WeakPolarHBondContact O-CA 3.49Å
193	V	98.1	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.8	-177.1	-178.9	0	0	0	0	108.8	I119 T183 H184 C186 M196 C206	I119-V193 HydrophobicContact CD1-CG2 3.8Å; I119-V193 HydrophobicContact CG2-CB 4.31Å; I119-V193 HydrophobicContact CG2-CG1 4Å; I119-V193 HydrophobicContact CG2-CG2 4.22Å; T183-V193 WeakPolarHBondContact CA-O 3.46Å; H184-V193 PolarHBondContact N-O 2.86Å; H184-V193 PolarHBondContact O-N 3.46Å; C186-V193 HydrophobicContact CB-CG2 4.09Å; V193-M196 HydrophobicContact CB-CB 3.97Å; V193-M196 HydrophobicContact CB-CG 4.13Å; V193-M196 HydrophobicContact CB-SD 4.32Å; V193-M196 HydrophobicContact CG1-CB 4.1Å; V193-M196 HydrophobicContact CG1-CG 4.26Å; V193-M196 WeakPolarHBondContact O-CB 3.22Å; V193-M196 PolarHBondContact O-N 2.93Å; V193-C206 HydrophobicContact CG1-CB 4.16Å; V193-C206 HydrophobicContact CG2-CB 3.94Å
194	P	97.8	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	135.8	177.4	-21.3	32.6	0	0	0	111.9	T120 I122 M196 Y209 G339 V340	T120-P194 HydrophobicContact CG2-CG 4.49Å; T120-P194 WeakPolarHBondContact O-CD 3.31Å; T120-P194 WeakPolarHBondContact O-CG 3.35Å; I122-P194 HydrophobicContact CG1-CG 3.87Å; P194-M196 VanDerWaalsContact C-N 3.27Å; P194-M196 PolarHBondContact O-N 3.5Å; P194-Y209 WeakPolarHBondContact O-CB 3.17Å; P194-Y209 PolarHBondContact O-N 3.36Å; P194-G339 WeakPolarHBondContact CB-O 3.38Å; P194-V340 HydrophobicContact CB-CG1 4.46Å
195	K	97.7	Very high	95.9	Very high	15 Å²	15	37.6 Å²	37.6	7%	0.065	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	49.6	-173	-158.6	-175.1	179.3	168.7	0	112.5	R182 D197 G208 Y209 I320 F342	R182-K195 HydrophobicContact CB-CG 4.37Å; R182-K195 CarbonylContact O-C 3.6Å; R182-K195 WeakPolarHBondContact O-CA 3.48Å; R182-K195 PolarHBondContact O-N 2.93Å; K195-D197 PolarHBondContact O-N 3.35Å; K195-G208 VanDerWaalsContact O-CA 3.25Å; K195-G208 WeakPolarHBondContact O-CA 3.33Å; K195-Y209 HydrophobicContact CD-CD2 4.49Å; K195-I320 VanDerWaalsContact NZ-CD1 3.33Å; K195-F342 HydrophobicContact CB-CE1 4.33Å; K195-F342 HydrophobicContact CB-CZ 3.92Å; K195-F342 HydrophobicContact CD-CE1 3.89Å; K195-F342 HydrophobicContact CD-CZ 4.33Å; K195-F342 HydrophobicContact CG-CE1 4.23Å; K195-F342 HydrophobicContact CG-CZ 4.21Å
196	M	98.4	Very high	95.9	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.084	19%	0.19	C	C	.	.			trans	-60.7	130.5	-176.5	-173.9	175.1	168	0	0	110.6	R182 H184 C186 V193 P194 S289 L291	R182-M196 PolarHBondContact O-N 3.07Å; R182-M196 VanDerWaalsContact O-N 3.12Å; H184-M196 HydrophobicContact CB-CB 3.91Å; H184-M196 HydrophobicContact CB-CG 4.33Å; H184-M196 HydrophobicContact CB-SD 3.65Å; C186-M196 HydrophobicContact CB-CE 3.78Å; C186-M196 HydrophobicContact CB-SD 3.97Å; V193-M196 HydrophobicContact CB-CB 3.97Å; V193-M196 HydrophobicContact CB-CG 4.13Å; V193-M196 HydrophobicContact CB-SD 4.32Å; V193-M196 HydrophobicContact CG1-CB 4.1Å; V193-M196 HydrophobicContact CG1-CG 4.26Å; V193-M196 WeakPolarHBondContact O-CB 3.22Å; V193-M196 PolarHBondContact O-N 2.93Å; P194-M196 VanDerWaalsContact C-N 3.27Å; P194-M196 PolarHBondContact O-N 3.5Å; M196-S289 WeakPolarHBondContact O-CB 3.3Å; M196-S289 PolarHBondContact O-OG 2.62Å; M196-L291 HydrophobicContact CB-CD1 4.14Å; M196-L291 HydrophobicContact CG-CD1 4Å; M196-L291 HydrophobicContact SD-CD1 4.21Å
197	D	98.7	Very high	96	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	19%	0.189	C	C	.	.			trans	-99.9	-59.7	171.8	-166.6	-84.4	0	0	0	110.9	K195 V207 Y212 H280 S289 T290 L291	K195-D197 PolarHBondContact O-N 3.35Å; D197-V207 HydrophobicContact CB-CB 4.44Å; D197-V207 HydrophobicContact CB-CG1 4.07Å; D197-V207 PolarHBondContact N-O 3.41Å; D197-Y212 HydrophobicContact CB-CD2 4.16Å; D197-Y212 HydrophobicContact CB-CE2 3.91Å; D197-Y212 WeakPolarHBondContact OD2-CE2 3.35Å; D197-H280 IonicContact OD1-CE1 2.99Å; D197-H280 PolarHBondContact OD1-CE1 3.06Å; D197-S289 VanDerWaalsContact OD2-CA 3.3Å; D197-S289 WeakPolarHBondContact OD2-CA 3.22Å; D197-T290 VanDerWaalsContact CG-OG1 3.32Å; D197-T290 WeakPolarHBondContact OD1-CB 3.24Å; D197-T290 PolarHBondContact OD1-OG1 3.12Å; D197-T290 PolarHBondContact OD2-N 3.34Å; D197-T290 PolarHBondContact OD2-OG1 3.5Å; D197-L291 WeakPolarHBondContact O-CG 3.34Å
198	H	98.3	Very high	96.4	Very high	45 Å²	45	31.3 Å²	31.3	21%	0.208	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.9	174.3	61.9	-80.4	0	0	0	110.7	V207 F215	H198-V207 PolarHBondContact N-O 3.34Å; H198-V207 PolarHBondContact O-N 3.45Å; H198-F215 AromaticContact CE1-CE1 3.88Å; H198-F215 AromaticContact CE1-CZ 3.62Å; H198-F215 AromaticContact NE2-CZ 3.86Å
199	H	97.5	Very high	96.8	Very high	48 Å²	48	28.2 Å²	28.2	22%	0.222	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.6	164.3	-175	84.1	0	0	0	108.7	S188 C189 P201 C206	S188-H199 VanDerWaalsContact CB-CE1 3.43Å; S188-H199 WeakPolarHBondContact CB-CE1 3.5Å; S188-H199 WeakPolarHBondContact CB-NE2 3.36Å; C189-H199 PolarHBondContact SG-ND1 2.89Å; H199-P201 WeakPolarHBondContact O-CD 3.45Å; H199-C206 PolarHBondContact ND1-SG 3.3Å
200	C	97.8	Very high	97.1	Very high	10 Å²	10	27.1 Å²	27.1	7%	0.068	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.2	-174.9	-175.6	0	0	0	0	110.5	W202 I203 N204 N205 V207	C200-W202 PolarHBondContact O-N 2.86Å; C200-I203 HydrophobicContact CB-CD1 4.09Å; C200-I203 HydrophobicContact CB-CG1 3.69Å; C200-I203 WeakPolarHBondContact O-CG1 3.37Å; C200-I203 PolarHBondContact O-N 3.19Å; C200-N204 PolarHBondContact O-N 3.33Å; C200-N205 PolarHBondContact N-O 3.4Å; C200-N205 PolarHBondContact O-N 2.91Å; C200-V207 HydrophobicContact CB-CG2 3.96Å
201	P	95.3	Very high	97.4	Very high	63 Å²	63	23.6 Å²	23.6	41%	0.409	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-60.3	-32.6	178.2	-24.7	34.7	0	0	0	113.1	P63 H199 I203 N204	P63-P201 HydrophobicContact CB-CB 4.45Å; P63-P201 HydrophobicContact CG-CB 4.27Å; H199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-I203 PolarHBondContact O-N 2.9Å; P201-N204 PolarHBondContact O-N 2.88Å
202	W	96.8	Very high	97.6	Very high	147 Å²	147	21.5 Å²	21.5	56%	0.557	10%	0.102	S	C	*	.	G	3₁₀ helix	trans	-67.3	-18	-176.5	-55.5	111.5	0	0	0	114.7	P63 A64 I67 C200	P63-W202 HydrophobicContact CB-CE3 3.9Å; P63-W202 HydrophobicContact CB-CZ3 4.19Å; A64-W202 WeakPolarHBondContact CA-O 3.48Å; I67-W202 HydrophobicContact CD1-CE3 3.91Å; I67-W202 HydrophobicContact CD1-CZ3 4.25Å; I67-W202 HydrophobicContact CG1-CE3 3.77Å; I67-W202 HydrophobicContact CG1-CZ3 4.4Å; C200-W202 PolarHBondContact O-N 2.86Å
203	I	96.1	Very high	97.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-117.1	6.4	172	62.5	167.4	0	0	0	111.8	F111 T115 C200 P201 N205 V207 L218	F111-I203 HydrophobicContact CD2-CG2 4.47Å; F111-I203 HydrophobicContact CE2-CG2 4.23Å; T115-I203 WeakPolarHBondContact CG2-O 3.43Å; T115-I203 PolarHBondContact OG1-O 2.93Å; C200-I203 HydrophobicContact CB-CD1 4.09Å; C200-I203 HydrophobicContact CB-CG1 3.69Å; C200-I203 WeakPolarHBondContact O-CG1 3.37Å; C200-I203 PolarHBondContact O-N 3.19Å; P201-I203 PolarHBondContact O-N 2.9Å; I203-N205 HydrophobicContact CD1-CB 4.27Å; I203-N205 HydrophobicContact CG1-CB 4.28Å; I203-N205 PolarHBondContact O-N 2.89Å; I203-V207 HydrophobicContact CD1-CG2 3.73Å; I203-L218 HydrophobicContact CG2-CD2 3.58Å
204	N	95.5	Very high	97.7	Very high	46 Å²	46	21.5 Å²	21.5	25%	0.246	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	38.5	-175.5	-168	28.2	0	0	0	113.8	S60 A64 C200 P201	S60-N204 VanDerWaalsContact CB-OD1 3.27Å; S60-N204 WeakPolarHBondContact CB-OD1 3.22Å; S60-N204 VanDerWaalsContact O-CG 3.29Å; S60-N204 PolarHBondContact O-OD1 3.3Å; S60-N204 VanDerWaalsContact O-OD1 3.08Å; S60-N204 PolarHBondContact OG-OD1 3.33Å; A64-N204 HydrophobicContact CB-CB 4.16Å; C200-N204 PolarHBondContact O-N 3.33Å; P201-N204 PolarHBondContact O-N 2.88Å
205	N	96	Very high	97.7	Very high	15 Å²	15	21.8 Å²	21.8	8%	0.08	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.2	-177.3	-161.8	2	0	0	0	111.3	S114 T115 T117 C200 I203	S114-N205 PolarHBondContact O-ND2 2.77Å; T115-N205 PolarHBondContact O-ND2 2.69Å; T117-N205 PolarHBondContact O-ND2 3.47Å; C200-N205 PolarHBondContact N-O 3.4Å; C200-N205 PolarHBondContact O-N 2.91Å; I203-N205 HydrophobicContact CD1-CB 4.27Å; I203-N205 HydrophobicContact CG1-CB 4.28Å; I203-N205 PolarHBondContact O-N 2.89Å
206	C	98.1	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.9	170.3	-73.6	0	0	0	0	110.4	I119 C186 C189 V193 H199 H210 N211	I119-C206 HydrophobicContact CD1-CB 3.89Å; I119-C206 HydrophobicContact CG1-CB 4.37Å; C186-C206 WeakPolarHBondContact CB-SG 3.36Å; C186-C206 PolarHBondContact SG-SG 3.31Å; C189-C206 WeakPolarHBondContact CB-SG 3.42Å; C189-C206 WeakPolarHBondContact SG-CB 3.15Å; C189-C206 CovalentContact SG-SG 2.07Å; C189-C206 PolarHBondContact SG-SG 2.92Å; V193-C206 HydrophobicContact CG1-CB 4.16Å; V193-C206 HydrophobicContact CG2-CB 3.94Å; H199-C206 PolarHBondContact ND1-SG 3.3Å; C206-H210 PolarHBondContact O-CE1 2.7Å; C206-H210 VanDerWaalsContact O-CE1 3.24Å; C206-H210 PolarHBondContact O-NE2 3.21Å; C206-N211 PolarHBondContact O-ND2 2.77Å; C206-N211 PolarHBondContact O-OD1 3.44Å
207	V	98.7	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.2	169.1	179.4	0	0	0	0	108.2	D197 H198 C200 I203 N211 Y212 F215	D197-V207 HydrophobicContact CB-CB 4.44Å; D197-V207 HydrophobicContact CB-CG1 4.07Å; D197-V207 PolarHBondContact N-O 3.41Å; H198-V207 PolarHBondContact N-O 3.34Å; H198-V207 PolarHBondContact O-N 3.45Å; C200-V207 HydrophobicContact CB-CG2 3.96Å; I203-V207 HydrophobicContact CD1-CG2 3.73Å; V207-N211 WeakPolarHBondContact CA-OD1 3.2Å; V207-Y212 HydrophobicContact CG1-CD2 3.6Å; V207-Y212 HydrophobicContact CG1-CE2 4.22Å; V207-F215 HydrophobicContact CG1-CB 4Å; V207-F215 HydrophobicContact CG1-CD1 4.13Å; V207-F215 HydrophobicContact CG1-CG 3.98Å; V207-F215 HydrophobicContact CG2-CB 4.34Å; V207-F215 HydrophobicContact CG2-CD2 3.8Å; V207-F215 HydrophobicContact CG2-CE2 4.27Å; V207-F215 HydrophobicContact CG2-CG 4.02Å
208	G	98.4	Very high	97.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	-159.9	-157	178.7	0	0	0	0	0	112	K195 H210 N211 Y212	K195-G208 VanDerWaalsContact O-CA 3.25Å; K195-G208 WeakPolarHBondContact O-CA 3.33Å; G208-H210 VanDerWaalsContact C-N 3.32Å; G208-H210 PolarHBondContact O-N 3.42Å; G208-N211 PolarHBondContact N-OD1 2.97Å; G208-N211 PolarHBondContact O-N 3.2Å; G208-N211 PolarHBondContact O-OD1 2.91Å; G208-Y212 VanDerWaalsContact O-CB 3.31Å; G208-Y212 WeakPolarHBondContact O-CB 3.25Å; G208-Y212 PolarHBondContact O-N 3.28Å
209	Y	98.3	Very high	97.8	Very high	14 Å²	14	19.7 Å²	19.7	6%	0.055	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-49.9	-175.1	177.8	-110.7	0	0	0	114.1	T120 P194 K195 N211 F333 E336 G337 G339	T120-Y209 HydrophobicContact CG2-CD1 4.4Å; P194-Y209 WeakPolarHBondContact O-CB 3.17Å; P194-Y209 PolarHBondContact O-N 3.36Å; K195-Y209 HydrophobicContact CD-CD2 4.49Å; Y209-N211 VanDerWaalsContact C-N 3.32Å; Y209-N211 PolarHBondContact O-N 3.44Å; Y209-F333 HydrophobicContact CE1-CE2 4.46Å; Y209-F333 AromaticContact CE1-CZ 3.77Å; Y209-F333 HydrophobicContact CE1-CZ 3.77Å; Y209-F333 AromaticContact CZ-CZ 3.72Å; Y209-F333 WeakPolarHBondContact OH-CZ 3.38Å; Y209-E336 WeakPolarHBondContact CE2-O 3.38Å; Y209-E336 PolarHBondContact OH-O 2.82Å; Y209-G337 PolarHBondContact OH-O 2.68Å; Y209-G339 VanDerWaalsContact CD1-CA 3.46Å; Y209-G339 VanDerWaalsContact CG-CA 3.43Å
210	H	97.8	Very high	97.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.4	-176.2	61.9	-68.4	0	0	0	115.8	T117 Q118 T120 C206 G208 Y214	T117-H210 HydrophobicContact CG2-CB 4.21Å; T117-H210 PolarHBondContact O-CD2 3.12Å; T117-H210 VanDerWaalsContact O-CD2 3.28Å; Q118-H210 VanDerWaalsContact C-CD2 3.48Å; Q118-H210 WeakPolarHBondContact O-CB 3.41Å; Q118-H210 PolarHBondContact O-CD2 3.41Å; T120-H210 WeakPolarHBondContact OG1-CB 3.46Å; C206-H210 PolarHBondContact O-CE1 2.7Å; C206-H210 VanDerWaalsContact O-CE1 3.24Å; C206-H210 PolarHBondContact O-NE2 3.21Å; G208-H210 VanDerWaalsContact C-N 3.32Å; G208-H210 PolarHBondContact O-N 3.42Å; H210-Y214 WeakPolarHBondContact O-CE2 3.17Å
211	N	98.4	Very high	97.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	3.6	-171.3	67.5	-9.5	0	0	0	114.8	S114 C206 V207 G208 Y209 K213 Y214 F215	S114-N211 PolarHBondContact O-ND2 2.99Å; S114-N211 VanDerWaalsContact O-ND2 3.1Å; C206-N211 PolarHBondContact O-ND2 2.77Å; C206-N211 PolarHBondContact O-OD1 3.44Å; V207-N211 WeakPolarHBondContact CA-OD1 3.2Å; G208-N211 PolarHBondContact N-OD1 2.97Å; G208-N211 PolarHBondContact O-N 3.2Å; G208-N211 PolarHBondContact O-OD1 2.91Å; Y209-N211 VanDerWaalsContact C-N 3.32Å; Y209-N211 PolarHBondContact O-N 3.44Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.37Å; N211-Y214 HydrophobicContact CB-CD2 3.74Å; N211-Y214 HydrophobicContact CB-CE2 4.43Å; N211-Y214 WeakPolarHBondContact O-CA 3.12Å; N211-Y214 WeakPolarHBondContact O-CB 3.15Å; N211-Y214 PolarHBondContact O-N 3.34Å; N211-F215 PolarHBondContact O-N 3.29Å
212	Y	98.7	Very high	98.1	Very high	14 Å²	14	18 Å²	18	6%	0.055	8%	0.078	C	C	.	.	H	α-helix	trans	-56	-43.6	-177.4	-165.4	-115.1	0	0	0	112.7	D197 V207 G208 Y214 F215 M216 H280 V284 I320	D197-Y212 HydrophobicContact CB-CD2 4.16Å; D197-Y212 HydrophobicContact CB-CE2 3.91Å; D197-Y212 WeakPolarHBondContact OD2-CE2 3.35Å; V207-Y212 HydrophobicContact CG1-CD2 3.6Å; V207-Y212 HydrophobicContact CG1-CE2 4.22Å; G208-Y212 VanDerWaalsContact O-CB 3.31Å; G208-Y212 WeakPolarHBondContact O-CB 3.25Å; G208-Y212 PolarHBondContact O-N 3.28Å; Y212-Y214 VanDerWaalsContact C-N 3.32Å; Y212-Y214 PolarHBondContact O-N 3.26Å; Y212-F215 WeakPolarHBondContact O-CB 3.35Å; Y212-F215 PolarHBondContact O-N 3.03Å; Y212-M216 HydrophobicContact CD1-CG 4.35Å; Y212-M216 HydrophobicContact CE1-CG 4.28Å; Y212-M216 HydrophobicContact CE1-SD 4.36Å; Y212-M216 WeakPolarHBondContact O-CG 3.34Å; Y212-M216 PolarHBondContact O-N 3.47Å; Y212-H280 AromaticContact CE2-ND1 3.84Å; Y212-H280 AromaticContact CZ-ND1 3.78Å; Y212-H280 PolarHBondContact OH-ND1 3.36Å; Y212-H280 VanDerWaalsContact OH-ND1 3.1Å; Y212-V284 HydrophobicContact CE1-CG2 3.8Å; Y212-I320 HydrophobicContact CD1-CD1 3.79Å; Y212-I320 HydrophobicContact CD1-CG1 4.17Å; Y212-I320 HydrophobicContact CD1-CG2 3.94Å; Y212-I320 HydrophobicContact CE1-CD1 4.37Å; Y212-I320 HydrophobicContact CE1-CG1 4.48Å
213	K	98.6	Very high	98.1	Very high	3 Å²	3	13 Å²	13	1%	0.013	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-43.1	174.9	-177.1	-168.5	167.8	-168.6	0	111.8	N211 F215 M216 L217 I320 F321 H327 L330 V332 S334	N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.37Å; K213-F215 VanDerWaalsContact C-N 3.32Å; K213-F215 PolarHBondContact O-N 2.97Å; K213-M216 WeakPolarHBondContact O-CB 3.36Å; K213-M216 PolarHBondContact O-N 3.08Å; K213-L217 WeakPolarHBondContact O-CG 3.46Å; K213-L217 PolarHBondContact O-N 3.38Å; K213-I320 HydrophobicContact CB-CG2 4.09Å; K213-F321 HydrophobicContact CD-CD1 4.46Å; K213-F321 HydrophobicContact CG-CD1 4.09Å; K213-F321 HydrophobicContact CG-CE1 4.15Å; K213-H327 WeakPolarHBondContact CE-O 3.32Å; K213-H327 PolarHBondContact NZ-O 3.36Å; K213-L330 WeakPolarHBondContact CE-O 3.47Å; K213-L330 PolarHBondContact NZ-O 3.16Å; K213-L330 VanDerWaalsContact NZ-O 3.08Å; K213-V332 PolarHBondContact NZ-O 2.85Å; K213-S334 PolarHBondContact NZ-OG 3.44Å
214	Y	98.6	Very high	98.3	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-64.9	-39.9	178.6	-49.2	-40.2	0	0	0	111.3	K113 S114 T117 H210 N211 Y212 L217 L218 P331 F333	K113-Y214 HydrophobicContact CB-CD1 4.03Å; K113-Y214 HydrophobicContact CB-CD2 3.82Å; K113-Y214 HydrophobicContact CB-CE1 4.44Å; K113-Y214 HydrophobicContact CB-CE2 4.29Å; K113-Y214 HydrophobicContact CB-CG 3.69Å; K113-Y214 VanDerWaalsContact CE-CZ 3.46Å; K113-Y214 WeakPolarHBondContact CE-OH 3.16Å; K113-Y214 WeakPolarHBondContact O-CD2 3.35Å; S114-Y214 WeakPolarHBondContact OG-CB 3.29Å; S114-Y214 PolarHBondContact OG-O 2.9Å; T117-Y214 HydrophobicContact CG2-CE2 4Å; T117-Y214 VanDerWaalsContact OG1-CE2 3.25Å; T117-Y214 WeakPolarHBondContact OG1-CE2 3.49Å; H210-Y214 WeakPolarHBondContact O-CE2 3.17Å; N211-Y214 HydrophobicContact CB-CD2 3.74Å; N211-Y214 HydrophobicContact CB-CE2 4.43Å; N211-Y214 WeakPolarHBondContact O-CA 3.12Å; N211-Y214 WeakPolarHBondContact O-CB 3.15Å; N211-Y214 PolarHBondContact O-N 3.34Å; Y212-Y214 VanDerWaalsContact C-N 3.32Å; Y212-Y214 PolarHBondContact O-N 3.26Å; Y214-L217 PolarHBondContact O-N 3.38Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.48Å; Y214-L218 PolarHBondContact O-N 3.28Å; Y214-P331 HydrophobicContact CD1-CB 4.25Å; Y214-P331 VanDerWaalsContact CE1-C 3.45Å; Y214-P331 WeakPolarHBondContact CE1-O 3.43Å; Y214-F333 VanDerWaalsContact OH-CA 3.27Å; Y214-F333 WeakPolarHBondContact OH-CA 3.47Å; Y214-F333 VanDerWaalsContact OH-CB 3.23Å; Y214-F333 WeakPolarHBondContact OH-CB 3.25Å; Y214-F333 PolarHBondContact OH-N 2.91Å
215	F	98.7	Very high	98.4	Very high	6 Å²	6	14 Å²	14	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-42.5	174.4	177	-99.1	0	0	0	111.7	S114 H198 V207 N211 Y212 K213 L217 L218 I219 L276 H280	S114-F215 PolarHBondContact OG-N 3.34Å; H198-F215 AromaticContact CE1-CE1 3.88Å; H198-F215 AromaticContact CE1-CZ 3.62Å; H198-F215 AromaticContact NE2-CZ 3.86Å; V207-F215 HydrophobicContact CG1-CB 4Å; V207-F215 HydrophobicContact CG1-CD1 4.13Å; V207-F215 HydrophobicContact CG1-CG 3.98Å; V207-F215 HydrophobicContact CG2-CB 4.34Å; V207-F215 HydrophobicContact CG2-CD2 3.8Å; V207-F215 HydrophobicContact CG2-CE2 4.27Å; V207-F215 HydrophobicContact CG2-CG 4.02Å; N211-F215 PolarHBondContact O-N 3.29Å; Y212-F215 WeakPolarHBondContact O-CB 3.35Å; Y212-F215 PolarHBondContact O-N 3.03Å; K213-F215 VanDerWaalsContact C-N 3.32Å; K213-F215 PolarHBondContact O-N 2.97Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.39Å; F215-L218 WeakPolarHBondContact O-CB 3.27Å; F215-L218 PolarHBondContact O-N 2.96Å; F215-I219 HydrophobicContact CE1-CD1 4.2Å; F215-I219 HydrophobicContact CE1-CG2 4.22Å; F215-I219 HydrophobicContact CE2-CG2 4.07Å; F215-I219 HydrophobicContact CZ-CG2 3.9Å; F215-I219 WeakPolarHBondContact O-CG1 3.41Å; F215-I219 PolarHBondContact O-N 2.77Å; F215-L276 HydrophobicContact CZ-CD2 4.15Å; F215-H280 AromaticContact CE1-CD2 3.92Å; F215-H280 AromaticContact CE1-CE1 3.71Å; F215-H280 AromaticContact CE1-ND1 3.98Å; F215-H280 AromaticContact CE1-NE2 3.65Å
216	M	98.8	Very high	98.5	Very high	9 Å²	9	13.9 Å²	13.9	4%	0.044	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-43.4	173.6	-69.1	-55.6	-60.8	0	0	112.5	Y212 K213 I219 F220 L277 H280 V284 F321	Y212-M216 HydrophobicContact CD1-CG 4.35Å; Y212-M216 HydrophobicContact CE1-CG 4.28Å; Y212-M216 HydrophobicContact CE1-SD 4.36Å; Y212-M216 WeakPolarHBondContact O-CG 3.34Å; Y212-M216 PolarHBondContact O-N 3.47Å; K213-M216 WeakPolarHBondContact O-CB 3.36Å; K213-M216 PolarHBondContact O-N 3.08Å; M216-I219 HydrophobicContact CE-CD1 4.27Å; M216-I219 VanDerWaalsContact O-CG1 3.22Å; M216-I219 WeakPolarHBondContact O-CG1 3.45Å; M216-I219 HydrophobicContact SD-CD1 4.09Å; M216-F220 VanDerWaalsContact O-CB 3.3Å; M216-F220 WeakPolarHBondContact O-CB 3.4Å; M216-F220 PolarHBondContact O-N 2.95Å; M216-F220 VanDerWaalsContact O-N 3.1Å; M216-L277 HydrophobicContact CE-CD1 4.44Å; M216-H280 HydrophobicContact CE-CB 3.9Å; M216-H280 HydrophobicContact SD-CB 3.54Å; M216-H280 VanDerWaalsContact SD-CB 3.54Å; M216-V284 HydrophobicContact CE-CG2 4.08Å; M216-V284 HydrophobicContact CG-CG2 4.38Å; M216-V284 HydrophobicContact SD-CG2 4.12Å; M216-F321 HydrophobicContact CB-CZ 3.94Å; M216-F321 HydrophobicContact CG-CZ 4.36Å
217	L	98.7	Very high	98.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-69.1	-36.1	176.4	-68.9	176.7	0	0	0	112	K213 Y214 F215 F220 Y221 F321 L330 P331	K213-L217 WeakPolarHBondContact O-CG 3.46Å; K213-L217 PolarHBondContact O-N 3.38Å; Y214-L217 PolarHBondContact O-N 3.38Å; F215-L217 VanDerWaalsContact C-N 3.35Å; F215-L217 PolarHBondContact O-N 3.39Å; L217-F220 PolarHBondContact O-N 3.26Å; L217-Y221 HydrophobicContact CB-CD2 4.12Å; L217-Y221 HydrophobicContact CB-CE2 4.07Å; L217-Y221 HydrophobicContact CD2-CE2 3.98Å; L217-Y221 HydrophobicContact CG-CE2 4.48Å; L217-Y221 WeakPolarHBondContact O-CB 3.32Å; L217-Y221 WeakPolarHBondContact O-CD2 2.97Å; L217-Y221 PolarHBondContact O-N 3.49Å; L217-F321 HydrophobicContact CD2-CE1 4.37Å; L217-L330 VanDerWaalsContact CD1-C 3.48Å; L217-L330 WeakPolarHBondContact CD1-O 3.36Å; L217-P331 HydrophobicContact CD1-CB 4.48Å; L217-P331 HydrophobicContact CD1-CG 4.15Å
218	L	98.6	Very high	98.3	Very high	16 Å²	16	18.2 Å²	18.2	8%	0.084	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-49.8	176.4	171	60.9	0	0	0	111.2	F107 F111 I203 Y214 F215 F220 G222	F107-L218 HydrophobicContact CD2-CD1 3.77Å; F107-L218 HydrophobicContact CE2-CD1 3.44Å; F107-L218 VanDerWaalsContact CE2-CD1 3.44Å; F111-L218 HydrophobicContact CB-CD1 3.79Å; F111-L218 HydrophobicContact CD2-CD1 3.95Å; F111-L218 HydrophobicContact CD2-CD2 4.23Å; F111-L218 HydrophobicContact CG-CD1 4.39Å; I203-L218 HydrophobicContact CG2-CD2 3.58Å; Y214-L218 VanDerWaalsContact O-CB 3.32Å; Y214-L218 WeakPolarHBondContact O-CB 3.48Å; Y214-L218 PolarHBondContact O-N 3.28Å; F215-L218 WeakPolarHBondContact O-CB 3.27Å; F215-L218 PolarHBondContact O-N 2.96Å; L218-F220 VanDerWaalsContact C-N 3.35Å; L218-G222 WeakPolarHBondContact O-CA 3.38Å; L218-G222 PolarHBondContact O-N 3.23Å
219	I	98.6	Very high	98.2	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-69.1	-34.3	179.3	64.1	-179.4	0	0	0	111.8	F215 M216 F223 L273 L276 L277 H280	F215-I219 HydrophobicContact CE1-CD1 4.2Å; F215-I219 HydrophobicContact CE1-CG2 4.22Å; F215-I219 HydrophobicContact CE2-CG2 4.07Å; F215-I219 HydrophobicContact CZ-CG2 3.9Å; F215-I219 WeakPolarHBondContact O-CG1 3.41Å; F215-I219 PolarHBondContact O-N 2.77Å; M216-I219 HydrophobicContact CE-CD1 4.27Å; M216-I219 VanDerWaalsContact O-CG1 3.22Å; M216-I219 WeakPolarHBondContact O-CG1 3.45Å; M216-I219 HydrophobicContact SD-CD1 4.09Å; I219-F223 WeakPolarHBondContact O-CB 3.3Å; I219-F223 PolarHBondContact O-N 3.08Å; I219-L273 HydrophobicContact CB-CD2 4.46Å; I219-L273 HydrophobicContact CG2-CD2 4.35Å; I219-L276 HydrophobicContact CG2-CD2 3.83Å; I219-L276 HydrophobicContact CG2-CG 4.47Å; I219-L277 HydrophobicContact CD1-CB 4.36Å; I219-L277 HydrophobicContact CD1-CD1 4.08Å; I219-L277 HydrophobicContact CG1-CD1 3.96Å; I219-H280 HydrophobicContact CD1-CB 4.09Å
220	F	98.7	Very high	98.2	Very high	72 Å²	72	20.7 Å²	20.7	32%	0.316	10%	0.101	S	C	.	.	H	α-helix	trans	-67.1	-53.9	176.7	176.4	-105.6	0	0	0	112.3	M216 L217 L218 G222 F223 L224 L277	M216-F220 VanDerWaalsContact O-CB 3.3Å; M216-F220 WeakPolarHBondContact O-CB 3.4Å; M216-F220 PolarHBondContact O-N 2.95Å; M216-F220 VanDerWaalsContact O-N 3.1Å; L217-F220 PolarHBondContact O-N 3.26Å; L218-F220 VanDerWaalsContact C-N 3.35Å; F220-G222 VanDerWaalsContact C-N 3.34Å; F220-F223 PolarHBondContact O-N 2.92Å; F220-L224 HydrophobicContact CD1-CD1 4.23Å; F220-L224 HydrophobicContact CE1-CD1 3.62Å; F220-L224 HydrophobicContact CE2-CD1 4.19Å; F220-L224 HydrophobicContact CZ-CD1 3.61Å; F220-L224 HydrophobicContact CZ-CG 4.42Å; F220-L224 WeakPolarHBondContact O-CG 3.28Å; F220-L224 PolarHBondContact O-N 3.43Å; F220-L224 VanDerWaalsContact O-N 3.1Å; F220-L277 HydrophobicContact CB-CD1 4.21Å; F220-L277 HydrophobicContact CD2-CD2 4.12Å
221	Y	98.7	Very high	98.1	Very high	13 Å²	13	24.8 Å²	24.8	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-68.6	-33.9	178.4	-68.4	-52.4	0	0	0	112.3	L103 L106 S110 L217 L224 Y225 L329	L103-Y221 HydrophobicContact CD1-CD1 3.6Å; L103-Y221 HydrophobicContact CD1-CE1 4.47Å; L103-Y221 HydrophobicContact CD1-CG 4.3Å; L106-Y221 HydrophobicContact CB-CD1 4.17Å; L106-Y221 HydrophobicContact CB-CD2 3.97Å; L106-Y221 HydrophobicContact CB-CE1 4.12Å; L106-Y221 HydrophobicContact CB-CE2 3.9Å; L106-Y221 HydrophobicContact CB-CG 4.1Å; L106-Y221 HydrophobicContact CD1-CE1 3.83Å; L106-Y221 HydrophobicContact CD2-CE2 4.46Å; S110-Y221 WeakPolarHBondContact OG-CD2 3.26Å; L217-Y221 HydrophobicContact CB-CD2 4.12Å; L217-Y221 HydrophobicContact CB-CE2 4.07Å; L217-Y221 HydrophobicContact CD2-CE2 3.98Å; L217-Y221 HydrophobicContact CG-CE2 4.48Å; L217-Y221 WeakPolarHBondContact O-CB 3.32Å; L217-Y221 WeakPolarHBondContact O-CD2 2.97Å; L217-Y221 PolarHBondContact O-N 3.49Å; Y221-L224 HydrophobicContact CD1-CD1 4.49Å; Y221-L224 PolarHBondContact O-N 3.11Å; Y221-Y225 WeakPolarHBondContact O-CB 3.23Å; Y221-Y225 PolarHBondContact O-N 3.4Å; Y221-L329 WeakPolarHBondContact OH-CB 3.19Å; Y221-L329 PolarHBondContact OH-O 3.47Å
222	G	98.5	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-45.1	172.3	0	0	0	0	0	112.1	L218 F220 Y225 C226 L273	L218-G222 WeakPolarHBondContact O-CA 3.38Å; L218-G222 PolarHBondContact O-N 3.23Å; F220-G222 VanDerWaalsContact C-N 3.34Å; G222-Y225 PolarHBondContact O-N 2.92Å; G222-C226 WeakPolarHBondContact O-CB 3.36Å; G222-C226 PolarHBondContact O-N 3.03Å; G222-C226 PolarHBondContact O-SG 3.22Å; G222-L273 VanDerWaalsContact C-CD1 3.5Å
223	F	98.6	Very high	97.8	Very high	43 Å²	43	24.8 Å²	24.8	19%	0.189	12%	0.123	C	C	.	.	H	α-helix	trans	-58.7	-52.1	174.9	167	-107.6	0	0	0	111.6	I219 F220 Y225 C226 V227 A270 L273 L274 L277	I219-F223 WeakPolarHBondContact O-CB 3.3Å; I219-F223 PolarHBondContact O-N 3.08Å; F220-F223 PolarHBondContact O-N 2.92Å; F223-Y225 VanDerWaalsContact C-N 3.29Å; F223-Y225 PolarHBondContact O-N 3.43Å; F223-C226 PolarHBondContact O-N 2.74Å; F223-V227 HydrophobicContact CD2-CG2 4.12Å; F223-V227 HydrophobicContact CE1-CG2 4.3Å; F223-V227 HydrophobicContact CE2-CG2 3.61Å; F223-V227 HydrophobicContact CZ-CG2 3.72Å; F223-V227 WeakPolarHBondContact O-CG2 3.33Å; F223-V227 PolarHBondContact O-N 3.42Å; F223-A270 HydrophobicContact CD2-CB 4.41Å; F223-A270 WeakPolarHBondContact CD2-O 3.18Å; F223-A270 HydrophobicContact CE2-CB 4.49Å; F223-L273 HydrophobicContact CB-CB 4.1Å; F223-L274 HydrophobicContact CD2-CB 3.94Å; F223-L274 HydrophobicContact CE1-CD1 4.47Å; F223-L274 HydrophobicContact CE2-CB 3.78Å; F223-L274 HydrophobicContact CE2-CD1 4.03Å; F223-L274 HydrophobicContact CE2-CD2 4.32Å; F223-L274 HydrophobicContact CE2-CG 4.25Å; F223-L274 HydrophobicContact CZ-CD1 4Å; F223-L277 HydrophobicContact CD1-CD2 4.37Å
224	L	98.3	Very high	97.6	Very high	63 Å²	63	27.5 Å²	27.5	33%	0.33	14%	0.137	S	C	.	.	H	α-helix	trans	-59.8	-41	178.8	-67.7	-179.1	0	0	0	111.8	L103 F220 Y221 V227 L228	L103-L224 HydrophobicContact CD1-CB 3.91Å; L103-L224 HydrophobicContact CD1-CD1 4.34Å; L103-L224 HydrophobicContact CD2-CB 3.94Å; F220-L224 HydrophobicContact CD1-CD1 4.23Å; F220-L224 HydrophobicContact CE1-CD1 3.62Å; F220-L224 HydrophobicContact CE2-CD1 4.19Å; F220-L224 HydrophobicContact CZ-CD1 3.61Å; F220-L224 HydrophobicContact CZ-CG 4.42Å; F220-L224 WeakPolarHBondContact O-CG 3.28Å; F220-L224 PolarHBondContact O-N 3.43Å; F220-L224 VanDerWaalsContact O-N 3.1Å; Y221-L224 HydrophobicContact CD1-CD1 4.49Å; Y221-L224 PolarHBondContact O-N 3.11Å; L224-V227 PolarHBondContact O-N 3.2Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.02Å
225	Y	98.2	Very high	97.4	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-47.4	178.3	179.6	-100.6	0	0	0	111.1	S74 Y75 Y100 F104 F107 Y221 G222 F223 V227 L228 C229	S74-Y225 WeakPolarHBondContact OG-CE1 3.46Å; S74-Y225 PolarHBondContact OG-OH 3.33Å; Y75-Y225 PolarHBondContact N-OH 3.49Å; Y100-Y225 HydrophobicContact CE2-CD2 4.19Å; Y100-Y225 AromaticContact CE2-CE2 3.56Å; Y100-Y225 HydrophobicContact CE2-CE2 3.56Å; Y100-Y225 AromaticContact CZ-CE2 3.86Å; Y100-Y225 PolarHBondContact OH-OH 3.42Å; F104-Y225 HydrophobicContact CB-CE2 4.25Å; F104-Y225 HydrophobicContact CD2-CD2 4.43Å; F104-Y225 AromaticContact CD2-CE2 3.63Å; F104-Y225 HydrophobicContact CD2-CE2 3.63Å; F104-Y225 AromaticContact CD2-CZ 3.92Å; F104-Y225 HydrophobicContact CG-CE2 4.42Å; F107-Y225 AromaticContact CD1-CD1 3.9Å; F107-Y225 HydrophobicContact CD1-CD1 3.9Å; F107-Y225 HydrophobicContact CD1-CD2 4.46Å; F107-Y225 HydrophobicContact CD1-CE1 4.45Å; F107-Y225 AromaticContact CD1-CG 3.9Å; F107-Y225 HydrophobicContact CD1-CG 3.9Å; F107-Y225 AromaticContact CE1-CD1 3.77Å; F107-Y225 HydrophobicContact CE1-CD1 3.77Å; F107-Y225 HydrophobicContact CE1-CE1 4.26Å; F107-Y225 HydrophobicContact CE1-CG 4.22Å; Y221-Y225 WeakPolarHBondContact O-CB 3.23Å; Y221-Y225 PolarHBondContact O-N 3.4Å; G222-Y225 PolarHBondContact O-N 2.92Å; F223-Y225 VanDerWaalsContact C-N 3.29Å; F223-Y225 PolarHBondContact O-N 3.43Å; Y225-V227 PolarHBondContact O-N 3.5Å; Y225-L228 PolarHBondContact O-N 3.41Å; Y225-C229 VanDerWaalsContact CE1-SG 3.5Å; Y225-C229 VanDerWaalsContact CZ-SG 3.52Å; Y225-C229 PolarHBondContact O-N 2.92Å; Y225-C229 PolarHBondContact O-SG 2.66Å
226	C	98.2	Very high	97.1	Very high	14 Å²	14	29.6 Å²	29.6	10%	0.095	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.5	-70.1	0	0	0	0	112.4	G222 F223 L228 C229 F230 S266 A270	G222-C226 WeakPolarHBondContact O-CB 3.36Å; G222-C226 PolarHBondContact O-N 3.03Å; G222-C226 PolarHBondContact O-SG 3.22Å; F223-C226 PolarHBondContact O-N 2.74Å; C226-L228 VanDerWaalsContact C-N 3.32Å; C226-L228 PolarHBondContact O-N 3Å; C226-C229 PolarHBondContact O-N 3.25Å; C226-F230 WeakPolarHBondContact O-CB 3.3Å; C226-F230 PolarHBondContact O-N 2.92Å; C226-S266 WeakPolarHBondContact O-CB 3.43Å; C226-A270 HydrophobicContact CB-CB 3.77Å
227	V	97.9	Very high	96.9	Very high	49 Å²	49	30.4 Å²	30.4	30%	0.297	16%	0.158	S	C	.	.	H	α-helix	trans	-59.3	-45.1	174.9	170.9	0	0	0	0	110.7	F223 L224 Y225 F230 L231 A270	F223-V227 HydrophobicContact CD2-CG2 4.12Å; F223-V227 HydrophobicContact CE1-CG2 4.3Å; F223-V227 HydrophobicContact CE2-CG2 3.61Å; F223-V227 HydrophobicContact CZ-CG2 3.72Å; F223-V227 WeakPolarHBondContact O-CG2 3.33Å; F223-V227 PolarHBondContact O-N 3.42Å; L224-V227 PolarHBondContact O-N 3.2Å; Y225-V227 PolarHBondContact O-N 3.5Å; V227-F230 WeakPolarHBondContact O-CB 3.39Å; V227-F230 PolarHBondContact O-N 3.19Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.39Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.48Å; V227-L231 PolarHBondContact O-N 2.87Å; V227-A270 HydrophobicContact CG2-CB 4.1Å
228	L	95.6	Very high	96.6	Very high	41 Å²	41	34.3 Å²	34.3	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-42.6	-179.3	-171.1	56.9	0	0	0	112.1	Y100 L103 L224 Y225 C226 F230 L231 F232	Y100-L228 HydrophobicContact CD2-CD2 3.7Å; Y100-L228 HydrophobicContact CD2-CG 4.19Å; Y100-L228 HydrophobicContact CG-CD2 4.41Å; L103-L228 HydrophobicContact CD2-CD2 4Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.02Å; Y225-L228 PolarHBondContact O-N 3.41Å; C226-L228 VanDerWaalsContact C-N 3.32Å; C226-L228 PolarHBondContact O-N 3Å; L228-F230 VanDerWaalsContact C-N 3.33Å; L228-F230 PolarHBondContact O-N 2.76Å; L228-L231 PolarHBondContact O-N 2.93Å; L228-F232 HydrophobicContact CD1-CD2 3.88Å; L228-F232 HydrophobicContact CD1-CE2 3.41Å; L228-F232 VanDerWaalsContact CD1-CE2 3.41Å; L228-F232 HydrophobicContact CD1-CZ 4.06Å; L228-F232 HydrophobicContact CD2-CE2 4.1Å; L228-F232 HydrophobicContact CG-CD2 3.82Å; L228-F232 HydrophobicContact CG-CE2 3.52Å; L228-F232 VanDerWaalsContact O-CD2 3.22Å; L228-F232 WeakPolarHBondContact O-CD2 3.45Å; L228-F232 PolarHBondContact O-N 3.37Å
229	C	96.7	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-44.8	172	-71.3	0	0	0	0	111.8	V78 Y225 C226 F232 A233 L262	V78-C229 HydrophobicContact CG2-CB 4.34Å; Y225-C229 VanDerWaalsContact CE1-SG 3.5Å; Y225-C229 VanDerWaalsContact CZ-SG 3.52Å; Y225-C229 PolarHBondContact O-N 2.92Å; Y225-C229 PolarHBondContact O-SG 2.66Å; C226-C229 PolarHBondContact O-N 3.25Å; C229-F232 PolarHBondContact O-N 3.5Å; C229-A233 WeakPolarHBondContact O-CB 3.49Å; C229-A233 PolarHBondContact O-N 3.34Å; C229-L262 HydrophobicContact CB-CD1 4.21Å; C229-L262 HydrophobicContact CB-CG 4.47Å
230	F	97.4	Very high	95.8	Very high	67 Å²	67	37.7 Å²	37.7	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-49.1	177.8	173.6	-107.7	0	0	0	111.5	C226 V227 L228 F232 A233 L234 S263 S266 A267	C226-F230 WeakPolarHBondContact O-CB 3.3Å; C226-F230 PolarHBondContact O-N 2.92Å; V227-F230 WeakPolarHBondContact O-CB 3.39Å; V227-F230 PolarHBondContact O-N 3.19Å; L228-F230 VanDerWaalsContact C-N 3.33Å; L228-F230 PolarHBondContact O-N 2.76Å; F230-F232 PolarHBondContact O-N 3.38Å; F230-A233 PolarHBondContact O-N 3.35Å; F230-L234 HydrophobicContact CE1-CD2 3.94Å; F230-L234 HydrophobicContact CE2-CD2 4.49Å; F230-L234 HydrophobicContact CZ-CD2 3.77Å; F230-L234 WeakPolarHBondContact O-CB 3.27Å; F230-L234 PolarHBondContact O-N 3.5Å; F230-S263 WeakPolarHBondContact CD2-O 3.49Å; F230-S266 VanDerWaalsContact CA-OG 3.25Å; F230-S266 WeakPolarHBondContact CA-OG 3.42Å; F230-S266 WeakPolarHBondContact CB-OG 3.41Å; F230-S266 PolarHBondContact N-OG 2.96Å; F230-A267 HydrophobicContact CD2-CB 3.81Å; F230-A267 HydrophobicContact CE2-CB 3.96Å
231	L	95.3	Very high	95.3	Very high	90 Å²	90	41 Å²	41	47%	0.471	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-43.6	-179.4	-68.9	175.3	0	0	0	112.1	V227 L228 S235	V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.39Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.48Å; V227-L231 PolarHBondContact O-N 2.87Å; L228-L231 PolarHBondContact O-N 2.93Å; L231-S235 VanDerWaalsContact O-CB 3.29Å; L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 2.87Å; L231-S235 PolarHBondContact O-OG 3.14Å
232	F	94.7	Very high	94.8	Very high	15 Å²	15	48.6 Å²	48.6	7%	0.066	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-50.7	175.7	-80.7	-54.4	0	0	0	111.7	V78 V82 I83 F96 Y100 L228 C229 F230 L234 S235 Y236	V78-F232 HydrophobicContact CG1-CB 4.48Å; V78-F232 HydrophobicContact CG1-CD2 3.88Å; V78-F232 HydrophobicContact CG1-CE2 4.44Å; V78-F232 HydrophobicContact CG1-CG 4.34Å; V82-F232 HydrophobicContact CG1-CB 3.84Å; V82-F232 WeakPolarHBondContact CG1-O 3.47Å; I83-F232 HydrophobicContact CD1-CE1 4.45Å; I83-F232 HydrophobicContact CD1-CE2 4.25Å; I83-F232 HydrophobicContact CD1-CZ 4.18Å; I83-F232 HydrophobicContact CG1-CD1 4.25Å; I83-F232 HydrophobicContact CG1-CE1 4.16Å; I83-F232 HydrophobicContact CG1-CZ 4.38Å; F96-F232 HydrophobicContact CB-CE1 4.4Å; F96-F232 HydrophobicContact CB-CZ 4.1Å; F96-F232 HydrophobicContact CD1-CE1 4.37Å; F96-F232 HydrophobicContact CD1-CZ 4.19Å; F96-F232 HydrophobicContact CG-CE1 4.5Å; F96-F232 HydrophobicContact CG-CZ 4.44Å; Y100-F232 HydrophobicContact CD2-CE2 4.27Å; L228-F232 HydrophobicContact CD1-CD2 3.88Å; L228-F232 HydrophobicContact CD1-CE2 3.41Å; L228-F232 VanDerWaalsContact CD1-CE2 3.41Å; L228-F232 HydrophobicContact CD1-CZ 4.06Å; L228-F232 HydrophobicContact CD2-CE2 4.1Å; L228-F232 HydrophobicContact CG-CD2 3.82Å; L228-F232 HydrophobicContact CG-CE2 3.52Å; L228-F232 VanDerWaalsContact O-CD2 3.22Å; L228-F232 WeakPolarHBondContact O-CD2 3.45Å; L228-F232 PolarHBondContact O-N 3.37Å; C229-F232 PolarHBondContact O-N 3.5Å; F230-F232 PolarHBondContact O-N 3.38Å; F232-L234 PolarHBondContact O-N 3.36Å; F232-S235 PolarHBondContact O-N 2.74Å; F232-Y236 PolarHBondContact O-N 3.29Å
233	A	95.6	Very high	94	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-43.4	-178.6	0	0	0	0	0	112	C229 F230 Y236 L237 L262	C229-A233 WeakPolarHBondContact O-CB 3.49Å; C229-A233 PolarHBondContact O-N 3.34Å; F230-A233 PolarHBondContact O-N 3.35Å; A233-Y236 WeakPolarHBondContact O-CB 3.26Å; A233-Y236 PolarHBondContact O-N 3.45Å; A233-L237 VanDerWaalsContact O-CG 3.3Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 2.76Å; A233-L262 HydrophobicContact CB-CB 4.32Å; A233-L262 HydrophobicContact CB-CD2 4.07Å; A233-L262 HydrophobicContact CB-CG 4.13Å
234	L	95.5	Very high	92.5	Very high	60 Å²	60	61 Å²	61	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.8	-179.1	62.5	0	0	0	111.4	F230 F232 Y236 L237 L238	F230-L234 HydrophobicContact CE1-CD2 3.94Å; F230-L234 HydrophobicContact CE2-CD2 4.49Å; F230-L234 HydrophobicContact CZ-CD2 3.77Å; F230-L234 WeakPolarHBondContact O-CB 3.27Å; F230-L234 PolarHBondContact O-N 3.5Å; F232-L234 PolarHBondContact O-N 3.36Å; L234-Y236 VanDerWaalsContact C-N 3.29Å; L234-Y236 PolarHBondContact O-N 2.93Å; L234-L237 PolarHBondContact O-N 3.24Å; L234-L238 HydrophobicContact CD1-CD1 4.2Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.92Å; L234-L238 HydrophobicContact CG-CG 4.25Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 3.18Å
235	S	93.5	Very high	91.3	Very high	55 Å²	55	61.7 Å²	61.7	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-41.1	177.5	-60.9	0	0	0	0	112	L231 F232 K239	L231-S235 VanDerWaalsContact O-CB 3.29Å; L231-S235 WeakPolarHBondContact O-CB 3.37Å; L231-S235 PolarHBondContact O-N 2.87Å; L231-S235 PolarHBondContact O-OG 3.14Å; F232-S235 PolarHBondContact O-N 2.74Å; S235-K239 PolarHBondContact O-N 2.94Å
236	Y	93.5	Very high	90.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-47.8	174.6	-175.8	-95.6	0	0	0	112	V82 D85 F232 A233 L234 L238 K239 Y240 R252 D255 L256 A259	V82-Y236 HydrophobicContact CB-CD2 4.48Å; V82-Y236 HydrophobicContact CG1-CD2 4.44Å; V82-Y236 HydrophobicContact CG1-CG 4.45Å; V82-Y236 HydrophobicContact CG2-CD2 4.39Å; V82-Y236 HydrophobicContact CG2-CG 4.12Å; D85-Y236 HydrophobicContact CB-CD2 4.37Å; D85-Y236 HydrophobicContact CB-CE2 3.72Å; D85-Y236 WeakPolarHBondContact OD2-CE2 3.34Å; F232-Y236 PolarHBondContact O-N 3.29Å; A233-Y236 WeakPolarHBondContact O-CB 3.26Å; A233-Y236 PolarHBondContact O-N 3.45Å; L234-Y236 VanDerWaalsContact C-N 3.29Å; L234-Y236 PolarHBondContact O-N 2.93Å; Y236-L238 PolarHBondContact O-N 3.48Å; Y236-K239 WeakPolarHBondContact O-CB 3.47Å; Y236-K239 PolarHBondContact O-N 3.16Å; Y236-Y240 HydrophobicContact CD1-CD2 4.31Å; Y236-Y240 HydrophobicContact CD2-CD2 4.46Å; Y236-Y240 HydrophobicContact CD2-CE2 4.15Å; Y236-Y240 AromaticContact CE1-CD2 3.99Å; Y236-Y240 HydrophobicContact CE1-CD2 3.99Å; Y236-Y240 HydrophobicContact CE1-CE2 4.01Å; Y236-Y240 HydrophobicContact CE2-CD2 4.14Å; Y236-Y240 AromaticContact CE2-CE2 3.51Å; Y236-Y240 HydrophobicContact CE2-CE2 3.51Å; Y236-Y240 AromaticContact CZ-CD2 3.89Å; Y236-Y240 AromaticContact CZ-CE2 3.42Å; Y236-Y240 VanDerWaalsContact CZ-CE2 3.42Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.48Å; Y236-Y240 PolarHBondContact O-N 3.46Å; Y236-R252 PolarHBondContact OH-NH2 3.37Å; Y236-D255 WeakPolarHBondContact OH-CB 3.08Å; Y236-L256 HydrophobicContact CD1-CD2 4.28Å; Y236-L256 HydrophobicContact CE1-CD2 3.79Å; Y236-L256 HydrophobicContact CE1-CG 4.44Å; Y236-A259 HydrophobicContact CD1-CB 3.52Å; Y236-A259 HydrophobicContact CE1-CB 4.03Å; Y236-A259 HydrophobicContact CG-CB 4.43Å
237	L	93.8	Very high	89	Confident	25 Å²	25	69.1 Å²	69.1	13%	0.131	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-45.8	177.5	-67.1	165.5	0	0	0	111.5	A233 L234 K239 Y240 L241 L256 A259 F260	A233-L237 VanDerWaalsContact O-CG 3.3Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 2.76Å; L234-L237 PolarHBondContact O-N 3.24Å; L237-K239 VanDerWaalsContact C-N 3.3Å; L237-K239 PolarHBondContact O-N 2.89Å; L237-Y240 PolarHBondContact O-N 2.95Å; L237-Y240 VanDerWaalsContact O-N 3.16Å; L237-L241 WeakPolarHBondContact O-CG 3.25Å; L237-L241 PolarHBondContact O-N 2.94Å; L237-L256 HydrophobicContact CD2-CD2 4.28Å; L237-A259 HydrophobicContact CD2-CB 4.07Å; L237-A259 HydrophobicContact CG-CB 4.19Å; L237-F260 HydrophobicContact CD1-CB 4.42Å; L237-F260 HydrophobicContact CD2-CB 4.14Å
238	L	93.1	Very high	87.9	Confident	86 Å²	86	69.6 Å²	69.6	45%	0.45	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-33.6	178.7	-69.8	175.3	0	0	0	112.7	L234 Y236 L241 K242	L234-L238 HydrophobicContact CD1-CD1 4.2Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.92Å; L234-L238 HydrophobicContact CG-CG 4.25Å; L234-L238 WeakPolarHBondContact O-CB 3.39Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 3.18Å; Y236-L238 PolarHBondContact O-N 3.48Å; L238-L241 HydrophobicContact CD2-CD1 4.32Å; L238-K242 WeakPolarHBondContact O-CG 3.43Å; L238-K242 PolarHBondContact O-N 2.91Å
239	K	90.9	Very high	86.7	Confident	72 Å²	72	69 Å²	69	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-49.2	172.3	175.4	-173.3	175.4	-170.4	0	110.5	D85 L86 S235 Y236 L237 K242	D85-K239 PolarHBondContact O-NZ 2.85Å; D85-K239 IonicContact OD2-NZ 2.72Å; D85-K239 PolarHBondContact OD2-NZ 2.99Å; L86-K239 HydrophobicContact CD1-CD 4.14Å; S235-K239 PolarHBondContact O-N 2.94Å; Y236-K239 WeakPolarHBondContact O-CB 3.47Å; Y236-K239 PolarHBondContact O-N 3.16Å; L237-K239 VanDerWaalsContact C-N 3.3Å; L237-K239 PolarHBondContact O-N 2.89Å; K239-K242 PolarHBondContact O-N 3.39Å
240	Y	89.1	Confident	85.7	Confident	21 Å²	21	74.4 Å²	74.4	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-77.8	-26.8	-176.6	-80.9	-84.5	0	0	0	114	D85 Y236 L237 K242 I243 V248 R252 L256	D85-Y240 PolarHBondContact OD1-OH 3.32Å; D85-Y240 WeakPolarHBondContact OD2-CE2 3.29Å; D85-Y240 PolarHBondContact OD2-OH 3.12Å; Y236-Y240 HydrophobicContact CD1-CD2 4.31Å; Y236-Y240 HydrophobicContact CD2-CD2 4.46Å; Y236-Y240 HydrophobicContact CD2-CE2 4.15Å; Y236-Y240 AromaticContact CE1-CD2 3.99Å; Y236-Y240 HydrophobicContact CE1-CD2 3.99Å; Y236-Y240 HydrophobicContact CE1-CE2 4.01Å; Y236-Y240 HydrophobicContact CE2-CD2 4.14Å; Y236-Y240 AromaticContact CE2-CE2 3.51Å; Y236-Y240 HydrophobicContact CE2-CE2 3.51Å; Y236-Y240 AromaticContact CZ-CD2 3.89Å; Y236-Y240 AromaticContact CZ-CE2 3.42Å; Y236-Y240 VanDerWaalsContact CZ-CE2 3.42Å; Y236-Y240 WeakPolarHBondContact O-CD2 3.48Å; Y236-Y240 PolarHBondContact O-N 3.46Å; L237-Y240 PolarHBondContact O-N 2.95Å; L237-Y240 VanDerWaalsContact O-N 3.16Å; Y240-K242 PolarHBondContact O-N 3.46Å; Y240-I243 HydrophobicContact CD1-CD1 3.8Å; Y240-I243 HydrophobicContact CE1-CD1 4.01Å; Y240-I243 HydrophobicContact CG-CD1 4.35Å; Y240-I243 PolarHBondContact O-N 2.92Å; Y240-V248 HydrophobicContact CE1-CG1 3.99Å; Y240-R252 HydrophobicContact CE1-CB 4.39Å; Y240-R252 HydrophobicContact CE1-CG 4.04Å; Y240-R252 PolarHBondContact OH-NE 3.04Å; Y240-L256 HydrophobicContact CD2-CD2 3.95Å; Y240-L256 HydrophobicContact CG-CD2 3.78Å
241	L	88	Confident	85	Confident	141 Å²	141	78 Å²	78	74%	0.738	40%	0.404	S	S	*	.	H	α-helix	trans	-63.6	-25.6	169.8	-72.5	173.4	0	0	0	112.8	L237 L238	L237-L241 WeakPolarHBondContact O-CG 3.25Å; L237-L241 PolarHBondContact O-N 2.94Å; L238-L241 HydrophobicContact CD2-CD1 4.32Å
242	K	88.1	Confident	84.6	Confident	172 Å²	172	76.9 Å²	76.9	75%	0.748	39%	0.394	S	S	*	.	H	α-helix	trans	-81.9	-20	175.9	-69.6	176.9	-177.2	-177.7	0	113.4	L238 K239 Y240 R244	L238-K242 WeakPolarHBondContact O-CG 3.43Å; L238-K242 PolarHBondContact O-N 2.91Å; K239-K242 PolarHBondContact O-N 3.39Å; Y240-K242 PolarHBondContact O-N 3.46Å; K242-R244 PolarHBondContact O-N 3.39Å
243	I	82.4	Confident	84.3	Confident	58 Å²	58	79.9 Å²	79.9	30%	0.297	42%	0.417	S	S	.	.			trans	-79.3	109.4	-179.5	-64.6	171.4	0	0	0	108.4	Y240 T245 V248	Y240-I243 HydrophobicContact CD1-CD1 3.8Å; Y240-I243 HydrophobicContact CE1-CD1 4.01Å; Y240-I243 HydrophobicContact CG-CD1 4.35Å; Y240-I243 PolarHBondContact O-N 2.92Å; I243-T245 VanDerWaalsContact C-N 3.26Å; I243-T245 WeakPolarHBondContact CG2-OG1 3.2Å; I243-T245 PolarHBondContact O-N 3.49Å; I243-V248 HydrophobicContact CG2-CB 4.17Å; I243-V248 HydrophobicContact CG2-CG1 4.3Å
244	R	66.8	Low	84.1	Confident	246 Å²	246	87.7 Å²	87.7	93%	0.928	45%	0.446	S	S	*	.			trans	-73.3	-13.4	-176.8	-66.8	-172.5	179.1	-175.2	-0.5	114.3	K242 T246	K242-R244 PolarHBondContact O-N 3.39Å; R244-T246 PolarHBondContact O-N 3.45Å
245	T	74	Confident	84	Confident	77 Å²	77	86.2 Å²	86.2	47%	0.472	44%	0.439	S	S	.	.			trans	-84.4	108.7	-177.6	16.6	0	0	0	0	111.4	I243 S247 V248	I243-T245 VanDerWaalsContact C-N 3.26Å; I243-T245 WeakPolarHBondContact CG2-OG1 3.2Å; I243-T245 PolarHBondContact O-N 3.49Å; T245-S247 PolarHBondContact O-N 3.04Å; T245-V248 PolarHBondContact O-N 3.44Å
246	T	72.1	Confident	84	Confident	107 Å²	107	85.3 Å²	85.3	66%	0.656	43%	0.43	S	S	*	.	H	α-helix	trans	-58.7	-29.6	177.4	51.9	0	0	0	0	113.3	R244 V248 A249 N250	R244-T246 PolarHBondContact O-N 3.45Å; T246-V248 PolarHBondContact O-N 2.8Å; T246-A249 PolarHBondContact O-N 2.81Å; T246-N250 WeakPolarHBondContact O-CB 3.38Å; T246-N250 VanDerWaalsContact O-CG 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å
247	S	75.3	Confident	84	Confident	69 Å²	69	90.7 Å²	90.7	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-40.6	178	57.6	0	0	0	0	113	T245 N251	T245-S247 PolarHBondContact O-N 3.04Å; S247-N251 PolarHBondContact O-N 3.17Å
248	V	75.5	Confident	84.1	Confident	59 Å²	59	89.7 Å²	89.7	36%	0.358	45%	0.448	S	S	.	.	H	α-helix	trans	-70.7	-40.2	179.4	177.4	0	0	0	0	110.5	Y240 I243 T245 T246 R252	Y240-V248 HydrophobicContact CE1-CG1 3.99Å; I243-V248 HydrophobicContact CG2-CB 4.17Å; I243-V248 HydrophobicContact CG2-CG1 4.3Å; T245-V248 PolarHBondContact O-N 3.44Å; T246-V248 PolarHBondContact O-N 2.8Å; V248-R252 WeakPolarHBondContact O-CG 3.32Å
249	A	70	Confident	84.2	Confident	28 Å²	28	85.6 Å²	85.6	23%	0.231	43%	0.427	C	S	.	.	H	α-helix	trans	-67	-42.2	177	0	0	0	0	0	112.2	T246 N251 R252 S253 L256	T246-A249 PolarHBondContact O-N 2.81Å; A249-N251 VanDerWaalsContact C-N 3.32Å; A249-N251 PolarHBondContact O-N 2.75Å; A249-R252 CarbonylContact O-C 3.4Å; A249-R252 PolarHBondContact O-N 3.03Å; A249-S253 PolarHBondContact O-N 3.43Å; A249-S253 VanDerWaalsContact O-N 3.16Å; A249-L256 HydrophobicContact CB-CD1 4.4Å
250	N	74.4	Confident	84.5	Confident	114 Å²	114	87.7 Å²	87.7	61%	0.61	44%	0.436	S	S	*	.	H	α-helix	trans	-61.6	-39.3	179.8	-78	-4.1	0	0	0	112.4	T246 R252 S253	T246-N250 WeakPolarHBondContact O-CB 3.38Å; T246-N250 VanDerWaalsContact O-CG 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å; N250-R252 PolarHBondContact O-N 3.43Å; N250-S253 PolarHBondContact O-N 2.96Å; N250-S253 PolarHBondContact O-OG 3.29Å
251	N	83.1	Confident	84.9	Confident	142 Å²	142	88.9 Å²	88.9	76%	0.759	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.4	176.2	-71.8	-9.9	0	0	0	113.6	S247 A249	S247-N251 PolarHBondContact O-N 3.17Å; A249-N251 VanDerWaalsContact C-N 3.32Å; A249-N251 PolarHBondContact O-N 2.75Å
252	R	87.4	Confident	85.4	Confident	68 Å²	68	82.3 Å²	82.3	26%	0.257	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	16.4	-177.9	-54.9	-68.5	-87.1	157.1	2.1	112.1	D85 Y236 Y240 V248 A249 N250 W254 D255 L256	D85-R252 IonicContact OD1-CZ 3.34Å; D85-R252 IonicContact OD1-NE 2.7Å; D85-R252 IonicContact OD1-NH2 2.59Å; D85-R252 PolarHBondContact OD1-NH2 2.82Å; Y236-R252 PolarHBondContact OH-NH2 3.37Å; Y240-R252 HydrophobicContact CE1-CB 4.39Å; Y240-R252 HydrophobicContact CE1-CG 4.04Å; Y240-R252 PolarHBondContact OH-NE 3.04Å; V248-R252 WeakPolarHBondContact O-CG 3.32Å; A249-R252 CarbonylContact O-C 3.4Å; A249-R252 PolarHBondContact O-N 3.03Å; N250-R252 PolarHBondContact O-N 3.43Å; R252-W254 VanDerWaalsContact C-N 3.34Å; R252-W254 PolarHBondContact O-N 3.41Å; R252-D255 IonicContact CZ-OD2 3.78Å; R252-D255 IonicContact NE-OD2 3.55Å; R252-D255 IonicContact NH1-OD2 3.63Å; R252-D255 PolarHBondContact NH1-OD2 3.32Å; R252-D255 IonicContact NH2-OD2 3.36Å; R252-D255 PolarHBondContact NH2-OD2 3.2Å; R252-D255 PolarHBondContact O-N 3.46Å; R252-D255 VanDerWaalsContact O-N 3.13Å; R252-L256 HydrophobicContact CB-CD1 4.44Å; R252-L256 HydrophobicContact CB-CG 4.47Å; R252-L256 WeakPolarHBondContact O-CG 3.34Å; R252-L256 PolarHBondContact O-N 3.4Å
253	S	88	Confident	85.8	Confident	78 Å²	78	74.8 Å²	74.8	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-54.9	-44.5	-173.9	55.7	0	0	0	0	113.3	A249 N250 F257	A249-S253 PolarHBondContact O-N 3.43Å; A249-S253 VanDerWaalsContact O-N 3.16Å; N250-S253 PolarHBondContact O-N 2.96Å; N250-S253 PolarHBondContact O-OG 3.29Å; S253-F257 WeakPolarHBondContact O-CB 3.22Å; S253-F257 PolarHBondContact O-N 2.86Å
254	W	92	Very high	86.5	Confident	163 Å²	163	77 Å²	77	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-65	-43.9	176.8	-176.8	-111.6	0	0	0	112.9	R252 L256 F257 C258	R252-W254 VanDerWaalsContact C-N 3.34Å; R252-W254 PolarHBondContact O-N 3.41Å; W254-L256 VanDerWaalsContact C-N 3.34Å; W254-L256 PolarHBondContact O-N 2.85Å; W254-F257 AromaticContact CE3-CD1 3.88Å; W254-F257 HydrophobicContact CE3-CD1 3.88Å; W254-F257 HydrophobicContact CH2-CD1 4.1Å; W254-F257 HydrophobicContact CH2-CE1 4.12Å; W254-F257 AromaticContact CZ3-CD1 3.56Å; W254-F257 HydrophobicContact CZ3-CD1 3.56Å; W254-F257 AromaticContact CZ3-CE1 3.82Å; W254-F257 HydrophobicContact CZ3-CE1 3.82Å; W254-F257 WeakPolarHBondContact O-CB 3.49Å; W254-F257 PolarHBondContact O-N 3.01Å; W254-C258 PolarHBondContact O-N 3.47Å; W254-C258 PolarHBondContact O-SG 3.24Å
255	D	93	Very high	88	Confident	30 Å²	30	67.8 Å²	67.8	16%	0.16	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-40.6	179	-74	0.1	0	0	0	111.6	V81 Y236 R252 C258 A259	V81-D255 HydrophobicContact CG1-CB 3.5Å; V81-D255 VanDerWaalsContact CG1-CB 3.5Å; Y236-D255 WeakPolarHBondContact OH-CB 3.08Å; R252-D255 IonicContact CZ-OD2 3.78Å; R252-D255 IonicContact NE-OD2 3.55Å; R252-D255 IonicContact NH1-OD2 3.63Å; R252-D255 PolarHBondContact NH1-OD2 3.32Å; R252-D255 IonicContact NH2-OD2 3.36Å; R252-D255 PolarHBondContact NH2-OD2 3.2Å; R252-D255 PolarHBondContact O-N 3.46Å; R252-D255 VanDerWaalsContact O-N 3.13Å; D255-C258 PolarHBondContact O-N 2.91Å; D255-A259 WeakPolarHBondContact O-CB 3.13Å; D255-A259 PolarHBondContact O-N 3.3Å
256	L	93.1	Very high	89.1	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-40.8	173.1	-69.9	169.8	0	0	0	111.6	Y236 L237 Y240 A249 R252 W254 A259 F260	Y236-L256 HydrophobicContact CD1-CD2 4.28Å; Y236-L256 HydrophobicContact CE1-CD2 3.79Å; Y236-L256 HydrophobicContact CE1-CG 4.44Å; L237-L256 HydrophobicContact CD2-CD2 4.28Å; Y240-L256 HydrophobicContact CD2-CD2 3.95Å; Y240-L256 HydrophobicContact CG-CD2 3.78Å; A249-L256 HydrophobicContact CB-CD1 4.4Å; R252-L256 HydrophobicContact CB-CD1 4.44Å; R252-L256 HydrophobicContact CB-CG 4.47Å; R252-L256 WeakPolarHBondContact O-CG 3.34Å; R252-L256 PolarHBondContact O-N 3.4Å; W254-L256 VanDerWaalsContact C-N 3.34Å; W254-L256 PolarHBondContact O-N 2.85Å; L256-A259 PolarHBondContact O-N 2.84Å; L256-F260 VanDerWaalsContact O-CB 3.26Å; L256-F260 WeakPolarHBondContact O-CB 3.19Å; L256-F260 PolarHBondContact O-N 3.36Å
257	F	94.2	Very high	90.4	Very high	113 Å²	113	61 Å²	61	50%	0.496	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174.5	174	-101	0	0	0	112	S253 W254 F260 T261	S253-F257 WeakPolarHBondContact O-CB 3.22Å; S253-F257 PolarHBondContact O-N 2.86Å; W254-F257 AromaticContact CE3-CD1 3.88Å; W254-F257 HydrophobicContact CE3-CD1 3.88Å; W254-F257 HydrophobicContact CH2-CD1 4.1Å; W254-F257 HydrophobicContact CH2-CE1 4.12Å; W254-F257 AromaticContact CZ3-CD1 3.56Å; W254-F257 HydrophobicContact CZ3-CD1 3.56Å; W254-F257 AromaticContact CZ3-CE1 3.82Å; W254-F257 HydrophobicContact CZ3-CE1 3.82Å; W254-F257 WeakPolarHBondContact O-CB 3.49Å; W254-F257 PolarHBondContact O-N 3.01Å; F257-F260 PolarHBondContact O-N 3.45Å; F257-T261 WeakPolarHBondContact O-CB 3.4Å; F257-T261 PolarHBondContact O-N 3.26Å; F257-T261 PolarHBondContact O-OG1 3.32Å
258	C	95.9	Very high	91.5	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-45.4	175	-71.5	0	0	0	0	111.9	W73 V77 W254 D255 T261 L262	W73-C258 HydrophobicContact CZ2-CB 4.45Å; V77-C258 HydrophobicContact CG1-CB 4.11Å; V77-C258 HydrophobicContact CG2-CB 3.95Å; W254-C258 PolarHBondContact O-N 3.47Å; W254-C258 PolarHBondContact O-SG 3.24Å; D255-C258 PolarHBondContact O-N 2.91Å; C258-T261 PolarHBondContact O-N 3.35Å; C258-L262 VanDerWaalsContact O-CB 3.26Å; C258-L262 WeakPolarHBondContact O-CB 3.49Å; C258-L262 PolarHBondContact O-N 3.03Å
259	A	95.9	Very high	92.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-40.2	178.1	0	0	0	0	0	112.1	V82 Y236 L237 D255 L256 L262 S263	V82-A259 HydrophobicContact CG2-CB 4.49Å; Y236-A259 HydrophobicContact CD1-CB 3.52Å; Y236-A259 HydrophobicContact CE1-CB 4.03Å; Y236-A259 HydrophobicContact CG-CB 4.43Å; L237-A259 HydrophobicContact CD2-CB 4.07Å; L237-A259 HydrophobicContact CG-CB 4.19Å; D255-A259 WeakPolarHBondContact O-CB 3.13Å; D255-A259 PolarHBondContact O-N 3.3Å; L256-A259 PolarHBondContact O-N 2.84Å; A259-L262 PolarHBondContact O-N 3.1Å; A259-S263 WeakPolarHBondContact O-CB 3.13Å; A259-S263 PolarHBondContact O-N 3.41Å
260	F	96.3	Very high	93.9	Very high	116 Å²	116	60.9 Å²	60.9	51%	0.509	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-49.5	174.1	176.7	-99.4	0	0	0	111.6	L237 L256 F257 L262 S263 L264	L237-F260 HydrophobicContact CD1-CB 4.42Å; L237-F260 HydrophobicContact CD2-CB 4.14Å; L256-F260 VanDerWaalsContact O-CB 3.26Å; L256-F260 WeakPolarHBondContact O-CB 3.19Å; L256-F260 PolarHBondContact O-N 3.36Å; F257-F260 PolarHBondContact O-N 3.45Å; F260-L262 VanDerWaalsContact C-N 3.3Å; F260-L262 PolarHBondContact O-N 2.83Å; F260-S263 PolarHBondContact O-N 3.17Å; F260-S263 PolarHBondContact O-OG 2.73Å; F260-L264 PolarHBondContact O-N 3.37Å
261	T	97.2	Very high	95	Very high	45 Å²	45	61.3 Å²	61.3	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177.8	-55.4	0	0	0	0	111	W73 F257 C258 L265	W73-T261 HydrophobicContact CH2-CG2 3.71Å; W73-T261 HydrophobicContact CZ2-CG2 4.28Å; F257-T261 WeakPolarHBondContact O-CB 3.4Å; F257-T261 PolarHBondContact O-N 3.26Å; F257-T261 PolarHBondContact O-OG1 3.32Å; C258-T261 PolarHBondContact O-N 3.35Å; T261-L265 VanDerWaalsContact O-CB 3.26Å; T261-L265 WeakPolarHBondContact O-CB 3.46Å; T261-L265 PolarHBondContact O-N 2.71Å
262	L	97.9	Very high	95.8	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-43.6	178	178.1	63.2	0	0	0	111.4	W73 V77 V78 C229 A233 C258 A259 F260 L265 S266	W73-L262 HydrophobicContact CH2-CB 3.96Å; W73-L262 HydrophobicContact CZ3-CB 4.29Å; W73-L262 HydrophobicContact CZ3-CD1 4.13Å; V77-L262 HydrophobicContact CB-CD2 4.04Å; V77-L262 HydrophobicContact CG1-CB 4.32Å; V77-L262 HydrophobicContact CG1-CD2 3.66Å; V78-L262 HydrophobicContact CG2-CD2 3.59Å; C229-L262 HydrophobicContact CB-CD1 4.21Å; C229-L262 HydrophobicContact CB-CG 4.47Å; A233-L262 HydrophobicContact CB-CB 4.32Å; A233-L262 HydrophobicContact CB-CD2 4.07Å; A233-L262 HydrophobicContact CB-CG 4.13Å; C258-L262 VanDerWaalsContact O-CB 3.26Å; C258-L262 WeakPolarHBondContact O-CB 3.49Å; C258-L262 PolarHBondContact O-N 3.03Å; A259-L262 PolarHBondContact O-N 3.1Å; F260-L262 VanDerWaalsContact C-N 3.3Å; F260-L262 PolarHBondContact O-N 2.83Å; L262-L265 PolarHBondContact O-N 3.5Å; L262-S266 WeakPolarHBondContact O-CB 3.48Å; L262-S266 PolarHBondContact O-N 2.88Å; L262-S266 PolarHBondContact O-OG 3.35Å
263	S	97.5	Very high	96.3	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-44.9	179.6	81.6	0	0	0	0	111	F230 A259 F260 S266 A267	F230-S263 WeakPolarHBondContact CD2-O 3.49Å; A259-S263 WeakPolarHBondContact O-CB 3.13Å; A259-S263 PolarHBondContact O-N 3.41Å; F260-S263 PolarHBondContact O-N 3.17Å; F260-S263 PolarHBondContact O-OG 2.73Å; S263-S266 PolarHBondContact O-OG 3.28Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.17Å; S263-A267 PolarHBondContact O-N 2.89Å
264	L	97.5	Very high	96.8	Very high	103 Å²	103	54.8 Å²	54.8	54%	0.539	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-51.2	177	-178.4	62.9	0	0	0	111.5	F260 S266 A267 V268	F260-L264 PolarHBondContact O-N 3.37Å; L264-S266 PolarHBondContact O-N 3.23Å; L264-A267 PolarHBondContact O-N 3.24Å; L264-V268 WeakPolarHBondContact O-CG2 3.45Å; L264-V268 PolarHBondContact O-N 3.32Å; L264-V268 VanDerWaalsContact O-N 3.12Å
265	L	97.5	Very high	97.1	Very high	53 Å²	53	52.4 Å²	52.4	28%	0.277	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-45.5	-176.6	-169.8	60.6	0	0	0	111.6	I70 W73 T261 L262 A267 V268 F269	I70-L265 HydrophobicContact CG2-CD2 3.79Å; W73-L265 HydrophobicContact CZ3-CD2 4.12Å; T261-L265 VanDerWaalsContact O-CB 3.26Å; T261-L265 WeakPolarHBondContact O-CB 3.46Å; T261-L265 PolarHBondContact O-N 2.71Å; L262-L265 PolarHBondContact O-N 3.5Å; L265-A267 PolarHBondContact O-N 3.43Å; L265-V268 PolarHBondContact O-N 3.08Å; L265-F269 HydrophobicContact CD1-CD2 3.78Å; L265-F269 HydrophobicContact CD1-CE2 3.45Å; L265-F269 VanDerWaalsContact CD1-CE2 3.45Å; L265-F269 HydrophobicContact CD2-CE2 4.36Å; L265-F269 HydrophobicContact CG-CD2 3.8Å; L265-F269 HydrophobicContact CG-CE2 3.77Å; L265-F269 VanDerWaalsContact O-CD2 3.31Å; L265-F269 WeakPolarHBondContact O-CD2 3.3Å; L265-F269 PolarHBondContact O-N 3Å
266	S	98.2	Very high	97.4	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-35.5	179.4	60.3	0	0	0	0	112.8	C226 F230 L262 S263 L264 A270	C226-S266 WeakPolarHBondContact O-CB 3.43Å; F230-S266 VanDerWaalsContact CA-OG 3.25Å; F230-S266 WeakPolarHBondContact CA-OG 3.42Å; F230-S266 WeakPolarHBondContact CB-OG 3.41Å; F230-S266 PolarHBondContact N-OG 2.96Å; L262-S266 WeakPolarHBondContact O-CB 3.48Å; L262-S266 PolarHBondContact O-N 2.88Å; L262-S266 PolarHBondContact O-OG 3.35Å; S263-S266 PolarHBondContact O-OG 3.28Å; L264-S266 PolarHBondContact O-N 3.23Å; S266-A270 WeakPolarHBondContact O-CB 3.27Å; S266-A270 PolarHBondContact O-N 3.5Å
267	A	98.3	Very high	97.6	Very high	37 Å²	37	53.2 Å²	53.2	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-45.2	173.2	0	0	0	0	0	112.1	F230 S263 L264 L265 A270 M271	F230-A267 HydrophobicContact CD2-CB 3.81Å; F230-A267 HydrophobicContact CE2-CB 3.96Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.17Å; S263-A267 PolarHBondContact O-N 2.89Å; L264-A267 PolarHBondContact O-N 3.24Å; L265-A267 PolarHBondContact O-N 3.43Å; A267-A270 PolarHBondContact O-N 3.46Å; A267-M271 PolarHBondContact O-N 3.39Å
268	V	98.1	Very high	97.8	Very high	78 Å²	78	53.1 Å²	53.1	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-48.3	178.1	172.7	0	0	0	0	111.1	L264 L265 M271 A272	L264-V268 WeakPolarHBondContact O-CG2 3.45Å; L264-V268 PolarHBondContact O-N 3.32Å; L264-V268 VanDerWaalsContact O-N 3.12Å; L265-V268 PolarHBondContact O-N 3.08Å; V268-M271 PolarHBondContact O-N 3.18Å; V268-A272 PolarHBondContact O-N 2.83Å
269	F	97.7	Very high	98	Very high	65 Å²	65	55.7 Å²	55.7	29%	0.285	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.3	-84.1	-71.9	0	0	0	112.6	I67 L265 M271 A272 L273	I67-F269 HydrophobicContact CD1-CE1 4.4Å; I67-F269 HydrophobicContact CD1-CZ 4.39Å; L265-F269 HydrophobicContact CD1-CD2 3.78Å; L265-F269 HydrophobicContact CD1-CE2 3.45Å; L265-F269 VanDerWaalsContact CD1-CE2 3.45Å; L265-F269 HydrophobicContact CD2-CE2 4.36Å; L265-F269 HydrophobicContact CG-CD2 3.8Å; L265-F269 HydrophobicContact CG-CE2 3.77Å; L265-F269 VanDerWaalsContact O-CD2 3.31Å; L265-F269 WeakPolarHBondContact O-CD2 3.3Å; L265-F269 PolarHBondContact O-N 3Å; F269-M271 VanDerWaalsContact C-N 3.32Å; F269-M271 PolarHBondContact O-N 3.38Å; F269-A272 PolarHBondContact O-N 2.83Å; F269-L273 VanDerWaalsContact O-CB 3.28Å; F269-L273 WeakPolarHBondContact O-CB 3.22Å; F269-L273 VanDerWaalsContact O-CG 3.26Å; F269-L273 WeakPolarHBondContact O-CG 2.94Å; F269-L273 PolarHBondContact O-N 3.31Å
270	A	98.4	Very high	98.1	Very high	10 Å²	10	55.9 Å²	55.9	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-44.7	176.4	0	0	0	0	0	111.2	F223 C226 V227 S266 A267 L274	F223-A270 HydrophobicContact CD2-CB 4.41Å; F223-A270 WeakPolarHBondContact CD2-O 3.18Å; F223-A270 HydrophobicContact CE2-CB 4.49Å; C226-A270 HydrophobicContact CB-CB 3.77Å; V227-A270 HydrophobicContact CG2-CB 4.1Å; S266-A270 WeakPolarHBondContact O-CB 3.27Å; S266-A270 PolarHBondContact O-N 3.5Å; A267-A270 PolarHBondContact O-N 3.46Å; A270-L274 VanDerWaalsContact O-CB 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 PolarHBondContact O-N 2.88Å
271	M	98.4	Very high	98.2	Very high	122 Å²	122	52.5 Å²	52.5	60%	0.601	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-47.2	177.1	-176.3	176.2	63.2	0	0	111.8	A267 V268 F269 L274 I275	A267-M271 PolarHBondContact O-N 3.39Å; V268-M271 PolarHBondContact O-N 3.18Å; F269-M271 VanDerWaalsContact C-N 3.32Å; F269-M271 PolarHBondContact O-N 3.38Å; M271-L274 PolarHBondContact O-N 3.44Å; M271-I275 HydrophobicContact CG-CD1 4.5Å; M271-I275 WeakPolarHBondContact O-CG1 3.42Å; M271-I275 PolarHBondContact O-N 3.25Å
272	A	98.2	Very high	98.3	Very high	53 Å²	53	55.5 Å²	55.5	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-44.9	178.8	0	0	0	0	0	112.2	V268 F269 I275 L276	V268-A272 PolarHBondContact O-N 2.83Å; F269-A272 PolarHBondContact O-N 2.83Å; A272-I275 PolarHBondContact O-N 3.13Å; A272-L276 PolarHBondContact O-N 2.92Å; A272-L276 VanDerWaalsContact O-N 3.12Å
273	L	98.5	Very high	98.3	Very high	31 Å²	31	55.3 Å²	55.3	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-68.5	-33.3	178.7	-70.6	175.2	0	0	0	112.2	I219 G222 F223 F269 L276 L277	I219-L273 HydrophobicContact CB-CD2 4.46Å; I219-L273 HydrophobicContact CG2-CD2 4.35Å; G222-L273 VanDerWaalsContact C-CD1 3.5Å; F223-L273 HydrophobicContact CB-CB 4.1Å; F269-L273 VanDerWaalsContact O-CB 3.28Å; F269-L273 WeakPolarHBondContact O-CB 3.22Å; F269-L273 VanDerWaalsContact O-CG 3.26Å; F269-L273 WeakPolarHBondContact O-CG 2.94Å; F269-L273 PolarHBondContact O-N 3.31Å; L273-L276 PolarHBondContact O-N 3.11Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 PolarHBondContact O-N 3.01Å
274	L	98.6	Very high	98.3	Very high	67 Å²	67	55 Å²	55	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-46.9	174.5	-179.6	60.2	0	0	0	111.3	F223 A270 M271 L276 L277 L278	F223-L274 HydrophobicContact CD2-CB 3.94Å; F223-L274 HydrophobicContact CE1-CD1 4.47Å; F223-L274 HydrophobicContact CE2-CB 3.78Å; F223-L274 HydrophobicContact CE2-CD1 4.03Å; F223-L274 HydrophobicContact CE2-CD2 4.32Å; F223-L274 HydrophobicContact CE2-CG 4.25Å; F223-L274 HydrophobicContact CZ-CD1 4Å; A270-L274 VanDerWaalsContact O-CB 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.49Å; A270-L274 PolarHBondContact O-N 2.88Å; M271-L274 PolarHBondContact O-N 3.44Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3Å; L274-L277 PolarHBondContact O-N 3.39Å; L274-L278 HydrophobicContact CD1-CD1 4.25Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 4.18Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.47Å; L274-L278 PolarHBondContact O-N 3.44Å
275	I	98.6	Very high	98.3	Very high	114 Å²	114	53.7 Å²	53.7	59%	0.585	28%	0.284	S	S	*	.	H	α-helix	trans	-59.9	-46.7	177.6	-65.5	167.7	0	0	0	110.2	M271 A272 L278 F279	M271-I275 HydrophobicContact CG-CD1 4.5Å; M271-I275 WeakPolarHBondContact O-CG1 3.42Å; M271-I275 PolarHBondContact O-N 3.25Å; A272-I275 PolarHBondContact O-N 3.13Å; I275-L278 PolarHBondContact O-N 3.28Å; I275-F279 WeakPolarHBondContact O-CB 3.34Å; I275-F279 PolarHBondContact O-N 3.37Å
276	L	98.4	Very high	98.2	Very high	61 Å²	61	55.1 Å²	55.1	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-42.9	178.8	-172.8	64.5	0	0	0	112	F215 I219 A272 L273 L274 F279 H280	F215-L276 HydrophobicContact CZ-CD2 4.15Å; I219-L276 HydrophobicContact CG2-CD2 3.83Å; I219-L276 HydrophobicContact CG2-CG 4.47Å; A272-L276 PolarHBondContact O-N 2.92Å; A272-L276 VanDerWaalsContact O-N 3.12Å; L273-L276 PolarHBondContact O-N 3.11Å; L274-L276 VanDerWaalsContact C-N 3.33Å; L274-L276 PolarHBondContact O-N 3Å; L276-F279 PolarHBondContact O-N 3.48Å; L276-H280 VanDerWaalsContact CD1-CD2 3.47Å; L276-H280 WeakPolarHBondContact CD1-CD2 3.23Å; L276-H280 PolarHBondContact O-CD2 3.26Å; L276-H280 PolarHBondContact O-N 3.12Å
277	L	98.6	Very high	98.1	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.115	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-45.4	177.4	176.8	64.7	0	0	0	111.5	M216 I219 F220 F223 L273 L274 T281	M216-L277 HydrophobicContact CE-CD1 4.44Å; I219-L277 HydrophobicContact CD1-CB 4.36Å; I219-L277 HydrophobicContact CD1-CD1 4.08Å; I219-L277 HydrophobicContact CG1-CD1 3.96Å; F220-L277 HydrophobicContact CB-CD1 4.21Å; F220-L277 HydrophobicContact CD2-CD2 4.12Å; F223-L277 HydrophobicContact CD1-CD2 4.37Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 PolarHBondContact O-N 3.01Å; L274-L277 PolarHBondContact O-N 3.39Å; L277-T281 WeakPolarHBondContact O-CB 3.4Å; L277-T281 PolarHBondContact O-N 3.25Å; L277-T281 PolarHBondContact O-OG1 2.99Å
278	L	98.7	Very high	98	Very high	110 Å²	110	55 Å²	55	58%	0.576	28%	0.28	S	S	*	.	H	α-helix	trans	-62.4	-44.9	177.2	-69.8	174	0	0	0	111.3	L274 I275 T281 Y282	L274-L278 HydrophobicContact CD1-CD1 4.25Å; L274-L278 HydrophobicContact CD1-CG 4.21Å; L274-L278 HydrophobicContact CG-CD1 4.18Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.47Å; L274-L278 PolarHBondContact O-N 3.44Å; I275-L278 PolarHBondContact O-N 3.28Å; L278-T281 PolarHBondContact O-N 2.88Å; L278-Y282 PolarHBondContact O-N 3.38Å
279	F	98.7	Very high	98	Very high	59 Å²	59	51.4 Å²	51.4	26%	0.259	26%	0.259	S	S	.	.	H	α-helix	trans	-60.7	-51.7	177.5	175	-114.3	0	0	0	112	I275 L276 T281 Y282 L283 T290 Y293	I275-F279 WeakPolarHBondContact O-CB 3.34Å; I275-F279 PolarHBondContact O-N 3.37Å; L276-F279 PolarHBondContact O-N 3.48Å; F279-T281 VanDerWaalsContact C-N 3.33Å; F279-T281 PolarHBondContact O-N 3.02Å; F279-Y282 WeakPolarHBondContact O-CB 3.33Å; F279-Y282 PolarHBondContact O-N 3.37Å; F279-L283 HydrophobicContact CD1-CD1 4.17Å; F279-L283 HydrophobicContact CE1-CD1 3.55Å; F279-L283 HydrophobicContact CE1-CG 4.23Å; F279-L283 HydrophobicContact CE2-CD1 4.34Å; F279-L283 HydrophobicContact CE2-CD2 4.16Å; F279-L283 HydrophobicContact CE2-CG 4.22Å; F279-L283 HydrophobicContact CZ-CD1 3.66Å; F279-L283 HydrophobicContact CZ-CD2 4.12Å; F279-L283 HydrophobicContact CZ-CG 4.04Å; F279-L283 WeakPolarHBondContact O-CG 3.39Å; F279-L283 PolarHBondContact O-N 3.2Å; F279-T290 HydrophobicContact CE1-CG2 4.32Å; F279-T290 HydrophobicContact CZ-CG2 4.49Å; F279-Y293 HydrophobicContact CE2-CD1 4.18Å; F279-Y293 HydrophobicContact CE2-CE1 4.18Å; F279-Y293 HydrophobicContact CE2-CG 4.36Å; F279-Y293 HydrophobicContact CZ-CD1 4.18Å; F279-Y293 HydrophobicContact CZ-CG 4.39Å
280	H	98.7	Very high	98	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-31.3	-179.9	-84.2	-85.5	0	0	0	113.1	D197 Y212 F215 M216 I219 L276 Y282 L283 V284	D197-H280 IonicContact OD1-CE1 2.99Å; D197-H280 PolarHBondContact OD1-CE1 3.06Å; Y212-H280 AromaticContact CE2-ND1 3.84Å; Y212-H280 AromaticContact CZ-ND1 3.78Å; Y212-H280 PolarHBondContact OH-ND1 3.36Å; Y212-H280 VanDerWaalsContact OH-ND1 3.1Å; F215-H280 AromaticContact CE1-CD2 3.92Å; F215-H280 AromaticContact CE1-CE1 3.71Å; F215-H280 AromaticContact CE1-ND1 3.98Å; F215-H280 AromaticContact CE1-NE2 3.65Å; M216-H280 HydrophobicContact CE-CB 3.9Å; M216-H280 HydrophobicContact SD-CB 3.54Å; M216-H280 VanDerWaalsContact SD-CB 3.54Å; I219-H280 HydrophobicContact CD1-CB 4.09Å; L276-H280 VanDerWaalsContact CD1-CD2 3.47Å; L276-H280 WeakPolarHBondContact CD1-CD2 3.23Å; L276-H280 PolarHBondContact O-CD2 3.26Å; L276-H280 PolarHBondContact O-N 3.12Å; H280-Y282 VanDerWaalsContact C-N 3.31Å; H280-Y282 PolarHBondContact O-N 2.99Å; H280-L283 WeakPolarHBondContact O-CB 3.49Å; H280-L283 PolarHBondContact O-N 3Å; H280-V284 WeakPolarHBondContact O-CG2 2.98Å; H280-V284 PolarHBondContact O-N 2.92Å
281	T	98.6	Very high	97.9	Very high	46 Å²	46	51.7 Å²	51.7	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-42.3	172	-61.7	0	0	0	0	110.8	L277 L278 F279 V284 F285	L277-T281 WeakPolarHBondContact O-CB 3.4Å; L277-T281 PolarHBondContact O-N 3.25Å; L277-T281 PolarHBondContact O-OG1 2.99Å; L278-T281 PolarHBondContact O-N 2.88Å; F279-T281 VanDerWaalsContact C-N 3.33Å; F279-T281 PolarHBondContact O-N 3.02Å; T281-V284 PolarHBondContact O-N 2.96Å; T281-F285 HydrophobicContact CG2-CD2 3.89Å; T281-F285 HydrophobicContact CG2-CE2 3.41Å; T281-F285 VanDerWaalsContact CG2-CE2 3.41Å; T281-F285 HydrophobicContact CG2-CZ 4.14Å; T281-F285 VanDerWaalsContact O-CD2 3.26Å; T281-F285 WeakPolarHBondContact O-CD2 3.18Å; T281-F285 PolarHBondContact O-N 3.27Å; T281-F285 VanDerWaalsContact O-N 3.08Å
282	Y	98.4	Very high	97.8	Very high	107 Å²	107	46.2 Å²	46.2	42%	0.42	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-44.6	172.1	167.6	-97	0	0	0	112	L278 F279 H280 F285 K286 Y293	L278-Y282 PolarHBondContact O-N 3.38Å; F279-Y282 WeakPolarHBondContact O-CB 3.33Å; F279-Y282 PolarHBondContact O-N 3.37Å; H280-Y282 VanDerWaalsContact C-N 3.31Å; H280-Y282 PolarHBondContact O-N 2.99Å; Y282-F285 PolarHBondContact O-N 3.06Å; Y282-K286 HydrophobicContact CD2-CG 4.25Å; Y282-K286 HydrophobicContact CE1-CG 4.31Å; Y282-K286 HydrophobicContact CE2-CD 4.42Å; Y282-K286 HydrophobicContact CE2-CG 3.79Å; Y282-K286 WeakPolarHBondContact O-CG 3.1Å; Y282-K286 PolarHBondContact O-N 3.41Å; Y282-K286 VanDerWaalsContact O-N 3.07Å; Y282-Y293 HydrophobicContact CE1-CD2 4.16Å; Y282-Y293 AromaticContact CE1-CE2 3.93Å; Y282-Y293 HydrophobicContact CE1-CE2 3.93Å
283	L	98.2	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-44	177.2	-67.9	-172.7	0	0	0	112.7	F279 H280 F285 K286 N287 K288 Y293	F279-L283 HydrophobicContact CD1-CD1 4.17Å; F279-L283 HydrophobicContact CE1-CD1 3.55Å; F279-L283 HydrophobicContact CE1-CG 4.23Å; F279-L283 HydrophobicContact CE2-CD1 4.34Å; F279-L283 HydrophobicContact CE2-CD2 4.16Å; F279-L283 HydrophobicContact CE2-CG 4.22Å; F279-L283 HydrophobicContact CZ-CD1 3.66Å; F279-L283 HydrophobicContact CZ-CD2 4.12Å; F279-L283 HydrophobicContact CZ-CG 4.04Å; F279-L283 WeakPolarHBondContact O-CG 3.39Å; F279-L283 PolarHBondContact O-N 3.2Å; H280-L283 WeakPolarHBondContact O-CB 3.49Å; H280-L283 PolarHBondContact O-N 3Å; L283-F285 PolarHBondContact O-N 3.32Å; L283-K286 CarbonylContact O-C 3.58Å; L283-K286 PolarHBondContact O-N 2.68Å; L283-K286 VanDerWaalsContact O-N 3.16Å; L283-N287 PolarHBondContact O-N 2.82Å; L283-K288 WeakPolarHBondContact CB-O 3.43Å; L283-K288 HydrophobicContact CD2-CB 4.14Å; L283-K288 PolarHBondContact O-N 2.93Å; L283-Y293 HydrophobicContact CD2-CD2 3.91Å; L283-Y293 HydrophobicContact CD2-CG 4.06Å
284	V	98.3	Very high	97.4	Very high	7 Å²	7	54 Å²	54	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-50.8	173.7	168.7	0	0	0	0	110	Y212 M216 H280 T281 K286 N287 N316 F317 F321	Y212-V284 HydrophobicContact CE1-CG2 3.8Å; M216-V284 HydrophobicContact CE-CG2 4.08Å; M216-V284 HydrophobicContact CG-CG2 4.38Å; M216-V284 HydrophobicContact SD-CG2 4.12Å; H280-V284 WeakPolarHBondContact O-CG2 2.98Å; H280-V284 PolarHBondContact O-N 2.92Å; T281-V284 PolarHBondContact O-N 2.96Å; V284-K286 PolarHBondContact O-N 3Å; V284-N287 PolarHBondContact O-N 3.38Å; V284-N287 VanDerWaalsContact O-N 3.09Å; V284-N316 VanDerWaalsContact O-CB 3.28Å; V284-N316 WeakPolarHBondContact O-CB 3.37Å; V284-F317 HydrophobicContact CG1-CB 4.48Å; V284-F317 HydrophobicContact CG1-CD2 4.06Å; V284-F321 HydrophobicContact CG1-CE2 4.48Å
285	F	97.2	Very high	97.1	Very high	77 Å²	77	60.7 Å²	60.7	34%	0.338	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-19.7	-178.7	-68.3	-42.6	0	0	0	114.3	T281 Y282 L283 W313 N316 F317	T281-F285 HydrophobicContact CG2-CD2 3.89Å; T281-F285 HydrophobicContact CG2-CE2 3.41Å; T281-F285 VanDerWaalsContact CG2-CE2 3.41Å; T281-F285 HydrophobicContact CG2-CZ 4.14Å; T281-F285 VanDerWaalsContact O-CD2 3.26Å; T281-F285 WeakPolarHBondContact O-CD2 3.18Å; T281-F285 PolarHBondContact O-N 3.27Å; T281-F285 VanDerWaalsContact O-N 3.08Å; Y282-F285 PolarHBondContact O-N 3.06Å; L283-F285 PolarHBondContact O-N 3.32Å; F285-W313 HydrophobicContact CB-CB 4.41Å; F285-W313 HydrophobicContact CD1-CB 4.19Å; F285-W313 HydrophobicContact CE1-CE3 4.3Å; F285-N316 PolarHBondContact O-ND2 3.04Å; F285-F317 HydrophobicContact CE1-CB 4.36Å; F285-F317 HydrophobicContact CE1-CD2 4.08Å
286	K	95.3	Very high	96.7	Very high	83 Å²	83	58.2 Å²	58.2	36%	0.361	27%	0.268	S	S	.	.	H	α-helix	trans	-98.8	-1.2	174	-62.1	-60.8	-178.3	-179.3	0	113.9	Y282 L283 V284 K288	Y282-K286 HydrophobicContact CD2-CG 4.25Å; Y282-K286 HydrophobicContact CE1-CG 4.31Å; Y282-K286 HydrophobicContact CE2-CD 4.42Å; Y282-K286 HydrophobicContact CE2-CG 3.79Å; Y282-K286 WeakPolarHBondContact O-CG 3.1Å; Y282-K286 PolarHBondContact O-N 3.41Å; Y282-K286 VanDerWaalsContact O-N 3.07Å; L283-K286 CarbonylContact O-C 3.58Å; L283-K286 PolarHBondContact O-N 2.68Å; L283-K286 VanDerWaalsContact O-N 3.16Å; V284-K286 PolarHBondContact O-N 3Å; K286-K288 VanDerWaalsContact C-N 3.29Å; K286-K288 HydrophobicContact CB-CD 4.4Å; K286-K288 HydrophobicContact CB-CG 4.24Å; K286-K288 PolarHBondContact O-N 3.36Å
287	N	96.5	Very high	96.3	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.048	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	47.5	-172.4	-160.7	-7.2	0	0	0	113.2	R182 L283 V284 F309 N316	R182-N287 PolarHBondContact NH1-OD1 3.29Å; R182-N287 PolarHBondContact NH2-O 3.47Å; R182-N287 PolarHBondContact NH2-OD1 3.18Å; L283-N287 PolarHBondContact O-N 2.82Å; V284-N287 PolarHBondContact O-N 3.38Å; V284-N287 VanDerWaalsContact O-N 3.09Å; N287-F309 WeakPolarHBondContact CB-O 3.17Å; N287-F309 PolarHBondContact ND2-O 3.19Å; N287-N316 HydrophobicContact CB-CB 3.93Å; N287-N316 WeakPolarHBondContact CB-OD1 3.31Å
288	K	96.1	Very high	95.8	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.13	28%	0.276	C	S	.	.			trans	-113.5	144.7	176	-67.6	-174.1	175.4	-167.2	0	110.1	L283 K286 E292	L283-K288 WeakPolarHBondContact CB-O 3.43Å; L283-K288 HydrophobicContact CD2-CB 4.14Å; L283-K288 PolarHBondContact O-N 2.93Å; K286-K288 VanDerWaalsContact C-N 3.29Å; K286-K288 HydrophobicContact CB-CD 4.4Å; K286-K288 HydrophobicContact CB-CG 4.24Å; K286-K288 PolarHBondContact O-N 3.36Å; K288-E292 WeakPolarHBondContact CA-OE2 3.47Å; K288-E292 HydrophobicContact CB-CB 4.37Å
289	S	97.4	Very high	95.2	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.021	25%	0.249	C	C	.	.			trans	-81.1	164.9	159.2	78.3	0	0	0	0	110.4	M196 D197 L291 E292 Y293	M196-S289 WeakPolarHBondContact O-CB 3.3Å; M196-S289 PolarHBondContact O-OG 2.62Å; D197-S289 VanDerWaalsContact OD2-CA 3.3Å; D197-S289 WeakPolarHBondContact OD2-CA 3.22Å; S289-L291 PolarHBondContact O-N 3.38Å; S289-L291 PolarHBondContact OG-N 3.46Å; S289-E292 PolarHBondContact N-OE2 3.5Å; S289-E292 PolarHBondContact O-N 3.02Å; S289-E292 VanDerWaalsContact O-N 3.15Å; S289-E292 WeakPolarHBondContact OG-CG 3.49Å; S289-E292 PolarHBondContact OG-N 2.98Å; S289-E292 VanDerWaalsContact OG-N 3.17Å; S289-Y293 PolarHBondContact O-N 2.87Å
290	T	98.1	Very high	94.3	Very high	22 Å²	22	55.6 Å²	55.6	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-55.7	-40	172.1	-59.8	0	0	0	0	111.4	D197 F279 Y293 F294	D197-T290 VanDerWaalsContact CG-OG1 3.32Å; D197-T290 WeakPolarHBondContact OD1-CB 3.24Å; D197-T290 PolarHBondContact OD1-OG1 3.12Å; D197-T290 PolarHBondContact OD2-N 3.34Å; D197-T290 PolarHBondContact OD2-OG1 3.5Å; F279-T290 HydrophobicContact CE1-CG2 4.32Å; F279-T290 HydrophobicContact CZ-CG2 4.49Å; T290-Y293 WeakPolarHBondContact O-CB 3.36Å; T290-Y293 PolarHBondContact O-N 3.49Å; T290-F294 HydrophobicContact CG2-CD2 4.1Å; T290-F294 HydrophobicContact CG2-CE2 3.79Å; T290-F294 WeakPolarHBondContact O-CD2 3.31Å; T290-F294 PolarHBondContact O-N 3.43Å
291	L	96.9	Very high	93	Very high	60 Å²	60	59.1 Å²	59.1	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175.8	-66.7	173.6	0	0	0	112.4	H184 M196 D197 S289 Y293 F294 R295	H184-L291 HydrophobicContact CB-CD1 3.93Å; H184-L291 VanDerWaalsContact CD2-CD1 3.42Å; H184-L291 WeakPolarHBondContact CD2-CD1 3.15Å; M196-L291 HydrophobicContact CB-CD1 4.14Å; M196-L291 HydrophobicContact CG-CD1 4Å; M196-L291 HydrophobicContact SD-CD1 4.21Å; D197-L291 WeakPolarHBondContact O-CG 3.34Å; S289-L291 PolarHBondContact O-N 3.38Å; S289-L291 PolarHBondContact OG-N 3.46Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 2.99Å; L291-F294 PolarHBondContact O-N 3.24Å; L291-R295 PolarHBondContact O-N 3.41Å
292	E	95.2	Very high	91.3	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-71.9	-25.5	179.1	-68.3	164.7	172.4	0	0	113	R182 K288 S289 R295 P296	R182-E292 WeakPolarHBondContact CB-OE1 3.4Å; R182-E292 WeakPolarHBondContact CG-OE1 3.22Å; R182-E292 IonicContact CZ-OE1 3.64Å; R182-E292 IonicContact CZ-OE2 2.71Å; R182-E292 IonicContact NE-OE1 3.45Å; R182-E292 PolarHBondContact NE-OE1 2.95Å; R182-E292 IonicContact NE-OE2 3.98Å; R182-E292 PolarHBondContact NE-OE2 3.38Å; R182-E292 IonicContact NH2-OE1 3.68Å; R182-E292 IonicContact NH2-OE2 3.76Å; R182-E292 PolarHBondContact NH2-OE2 2.92Å; K288-E292 WeakPolarHBondContact CA-OE2 3.47Å; K288-E292 HydrophobicContact CB-CB 4.37Å; S289-E292 PolarHBondContact N-OE2 3.5Å; S289-E292 PolarHBondContact O-N 3.02Å; S289-E292 VanDerWaalsContact O-N 3.15Å; S289-E292 WeakPolarHBondContact OG-CG 3.49Å; S289-E292 PolarHBondContact OG-N 2.98Å; S289-E292 VanDerWaalsContact OG-N 3.17Å; E292-R295 WeakPolarHBondContact CA-O 3.34Å; E292-R295 CarbonylContact O-C 3.47Å; E292-P296 WeakPolarHBondContact O-CA 3.02Å
293	Y	94.6	Very high	89.3	Confident	99 Å²	99	59.3 Å²	59.3	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-46.7	171.4	176.6	-96.7	0	0	0	110.9	F279 Y282 L283 S289 T290 L291	F279-Y293 HydrophobicContact CE2-CD1 4.18Å; F279-Y293 HydrophobicContact CE2-CE1 4.18Å; F279-Y293 HydrophobicContact CE2-CG 4.36Å; F279-Y293 HydrophobicContact CZ-CD1 4.18Å; F279-Y293 HydrophobicContact CZ-CG 4.39Å; Y282-Y293 HydrophobicContact CE1-CD2 4.16Å; Y282-Y293 AromaticContact CE1-CE2 3.93Å; Y282-Y293 HydrophobicContact CE1-CE2 3.93Å; L283-Y293 HydrophobicContact CD2-CD2 3.91Å; L283-Y293 HydrophobicContact CD2-CG 4.06Å; S289-Y293 PolarHBondContact O-N 2.87Å; T290-Y293 WeakPolarHBondContact O-CB 3.36Å; T290-Y293 PolarHBondContact O-N 3.49Å; L291-Y293 VanDerWaalsContact C-N 3.31Å; L291-Y293 PolarHBondContact O-N 2.99Å
294	F	94.5	Very high	87.5	Confident	147 Å²	147	67 Å²	67	65%	0.645	34%	0.338	S	S	*	.	H	α-helix	trans	-79.2	-32.8	178.9	-70.4	-67.1	0	0	0	113.6	T290 L291	T290-F294 HydrophobicContact CG2-CD2 4.1Å; T290-F294 HydrophobicContact CG2-CE2 3.79Å; T290-F294 WeakPolarHBondContact O-CD2 3.31Å; T290-F294 PolarHBondContact O-N 3.43Å; L291-F294 PolarHBondContact O-N 3.24Å
295	R	91.7	Very high	86.1	Confident	209 Å²	209	69.6 Å²	69.6	79%	0.789	35%	0.347	S	S	*	.	S	Bend	trans	-135.2	92	-179.3	-68.5	-174.7	-177.6	166	2.7	109.6	L291 E292	L291-R295 PolarHBondContact O-N 3.41Å; E292-R295 WeakPolarHBondContact CA-O 3.34Å; E292-R295 CarbonylContact O-C 3.47Å
296	P	90.3	Very high	84.8	Confident	61 Å²	61	69.7 Å²	69.7	40%	0.396	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-55.9	140.6	177.3	-26	34.9	0	0	0	111.8	E292 I306	E292-P296 WeakPolarHBondContact O-CA 3.02Å; P296-I306 HydrophobicContact CB-CG2 4.04Å; P296-I306 HydrophobicContact CG-CG2 4.29Å
297	P	89.8	Confident	84.1	Confident	30 Å²	30	72.6 Å²	72.6	20%	0.195	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-70.4	143.4	177.8	26.9	-31.4	0	0	0	111.1	T162 F299 F309	T162-P297 HydrophobicContact CG2-CB 3.88Å; P297-F299 HydrophobicContact CB-CE2 4.31Å; P297-F299 HydrophobicContact CG-CE2 3.73Å; P297-F299 HydrophobicContact CG-CZ 4.02Å; P297-F309 HydrophobicContact CG-CD2 4.33Å; P297-F309 HydrophobicContact CG-CE2 4Å
298	N	88.3	Confident	83.5	Confident	75 Å²	75	72.5 Å²	72.5	40%	0.401	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.2	169.9	-62.4	-41.8	0	0	0	108.7	T162 V163	T162-N298 CarbonylContact C-O 3.59Å; T162-N298 WeakPolarHBondContact CA-O 3.28Å; T162-N298 WeakPolarHBondContact CB-O 3.42Å; V163-N298 HydrophobicContact CG2-CB 3.75Å; V163-N298 PolarHBondContact N-O 2.82Å
299	F	87.3	Confident	83.3	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	144.6	177.8	-70.4	-95	0	0	0	111.4	L161 T162 P297 G301 R305 F309 I344	L161-F299 HydrophobicContact CB-CD1 4.43Å; L161-F299 WeakPolarHBondContact O-CA 3.3Å; T162-F299 HydrophobicContact CG2-CD1 4.05Å; T162-F299 HydrophobicContact CG2-CE1 3.95Å; T162-F299 HydrophobicContact CG2-CZ 4.33Å; P297-F299 HydrophobicContact CB-CE2 4.31Å; P297-F299 HydrophobicContact CG-CE2 3.73Å; P297-F299 HydrophobicContact CG-CZ 4.02Å; F299-G301 PolarHBondContact O-N 2.99Å; F299-R305 HydrophobicContact CB-CB 3.88Å; F299-R305 HydrophobicContact CB-CG 4.49Å; F299-R305 HydrophobicContact CD2-CB 3.53Å; F299-R305 WeakPolarHBondContact CD2-O 3.01Å; F299-R305 HydrophobicContact CE2-CB 4.21Å; F299-R305 WeakPolarHBondContact CE2-O 3.37Å; F299-R305 HydrophobicContact CG-CB 3.72Å; F299-F309 HydrophobicContact CE1-CD1 4.44Å; F299-F309 HydrophobicContact CE1-CD2 4.41Å; F299-F309 HydrophobicContact CE1-CE1 4.01Å; F299-F309 AromaticContact CE1-CE2 3.99Å; F299-F309 HydrophobicContact CE1-CE2 3.99Å; F299-F309 AromaticContact CE1-CZ 3.77Å; F299-F309 HydrophobicContact CE1-CZ 3.77Å; F299-F309 HydrophobicContact CZ-CD1 4.49Å; F299-F309 AromaticContact CZ-CD2 3.8Å; F299-F309 HydrophobicContact CZ-CD2 3.8Å; F299-F309 HydrophobicContact CZ-CE1 4.35Å; F299-F309 AromaticContact CZ-CE2 3.63Å; F299-F309 HydrophobicContact CZ-CE2 3.63Å; F299-F309 HydrophobicContact CZ-CG 4.22Å; F299-F309 AromaticContact CZ-CZ 3.93Å; F299-F309 HydrophobicContact CZ-CZ 3.93Å; F299-I344 HydrophobicContact CE1-CG2 3.87Å
300	R	78.4	Confident	83.1	Confident	88 Å²	88	72.6 Å²	72.6	33%	0.332	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135	172.3	-72.6	-174.8	176.2	-176.2	-10.3	109.9	S153 L160 L161 V163 N302	S153-R300 PolarHBondContact OG-NH2 3.43Å; L160-R300 WeakPolarHBondContact O-CD 3.05Å; L160-R300 PolarHBondContact O-NH1 3.45Å; L161-R300 PolarHBondContact O-N 2.87Å; V163-R300 HydrophobicContact CG1-CG 3.45Å; V163-R300 VanDerWaalsContact CG1-CG 3.45Å; R300-N302 PolarHBondContact O-N 2.94Å; R300-N302 VanDerWaalsContact O-N 3.15Å
301	G	71.2	Confident	82.9	Confident	77 Å²	77	72.9 Å²	72.9	79%	0.794	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-8.5	172.3	0	0	0	0	0	116.9	F299	F299-G301 PolarHBondContact O-N 2.99Å
302	N	62.9	Low	82.7	Confident	84 Å²	84	71.6 Å²	71.6	45%	0.449	36%	0.363	S	S	.	.			trans	-159.9	100.1	178.4	-87.2	-49.7	0	0	0	112.3	R300 H304 R305	R300-N302 PolarHBondContact O-N 2.94Å; R300-N302 VanDerWaalsContact O-N 3.15Å; N302-H304 PolarHBondContact O-N 3.34Å; N302-H304 VanDerWaalsContact O-N 3.15Å; N302-R305 HydrophobicContact CB-CG 4.03Å; N302-R305 PolarHBondContact O-N 3.37Å
303	S	57.5	Low	82.7	Confident	73 Å²	73	79.7 Å²	79.7	51%	0.51	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.8	177.5	53.6	0	0	0	0	113.9	R305	S303-R305 PolarHBondContact O-N 2.86Å
304	H	59.4	Low	82.8	Confident	162 Å²	162	81.4 Å²	81.4	75%	0.75	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-2	-179.5	-64.9	-71.3	0	0	0	114.6	N302 I306	N302-H304 PolarHBondContact O-N 3.34Å; N302-H304 VanDerWaalsContact O-N 3.15Å; H304-I306 PolarHBondContact O-N 3.33Å
305	R	68.8	Low	82.8	Confident	61 Å²	61	78.4 Å²	78.4	23%	0.23	39%	0.394	C	S	.	.			trans	-79.5	42.4	179.2	-67.3	-174.7	176.8	-172.4	-0.9	113.7	F299 N302 S303 Y307 G308 I347	F299-R305 HydrophobicContact CB-CB 3.88Å; F299-R305 HydrophobicContact CB-CG 4.49Å; F299-R305 HydrophobicContact CD2-CB 3.53Å; F299-R305 WeakPolarHBondContact CD2-O 3.01Å; F299-R305 HydrophobicContact CE2-CB 4.21Å; F299-R305 WeakPolarHBondContact CE2-O 3.37Å; F299-R305 HydrophobicContact CG-CB 3.72Å; N302-R305 HydrophobicContact CB-CG 4.03Å; N302-R305 PolarHBondContact O-N 3.37Å; S303-R305 PolarHBondContact O-N 2.86Å; R305-Y307 PolarHBondContact O-N 3.47Å; R305-G308 PolarHBondContact O-N 3.43Å; R305-I347 HydrophobicContact CG-CD1 3.83Å
306	I	70.4	Confident	83.1	Confident	80 Å²	80	68.5 Å²	68.5	41%	0.41	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.9	-179.5	-59	174.6	0	0	0	112.3	P296 H304	P296-I306 HydrophobicContact CB-CG2 4.04Å; P296-I306 HydrophobicContact CG-CG2 4.29Å; H304-I306 PolarHBondContact O-N 3.33Å
307	Y	80.2	Confident	83.5	Confident	144 Å²	144	67.7 Å²	67.7	57%	0.565	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	27	178.6	-52.1	-74.3	0	0	0	113.6	R305 F309 N310	R305-Y307 PolarHBondContact O-N 3.47Å; Y307-F309 VanDerWaalsContact C-N 3.28Å; Y307-F309 PolarHBondContact O-N 2.89Å; Y307-F309 VanDerWaalsContact O-N 3.15Å; Y307-N310 VanDerWaalsContact O-CB 3.31Å; Y307-N310 WeakPolarHBondContact O-CB 3.29Å; Y307-N310 PolarHBondContact O-N 2.99Å
308	G	84.8	Confident	83.8	Confident	6 Å²	6	67.5 Å²	67.5	6%	0.062	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.5	-170.8	0	0	0	0	0	115.2	R305 I344 R345	R305-G308 PolarHBondContact O-N 3.43Å; G308-I344 CarbonylContact O-C 3.47Å; G308-I344 VanDerWaalsContact O-CA 3.23Å; G308-I344 WeakPolarHBondContact O-CA 3.42Å; G308-I344 WeakPolarHBondContact O-CB 3.34Å; G308-R345 PolarHBondContact O-N 2.83Å
309	F	92.4	Very high	84.2	Confident	9 Å²	9	65 Å²	65	4%	0.039	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.5	177.2	-60.7	-57.2	0	0	0	114.5	L161 T162 D181 R182 N287 P297 F299 Y307 L311 F342 I344	L161-F309 HydrophobicContact CD1-CE1 4.45Å; T162-F309 HydrophobicContact CG2-CE2 4.12Å; T162-F309 HydrophobicContact CG2-CZ 3.83Å; D181-F309 HydrophobicContact CB-CZ 4.17Å; R182-F309 HydrophobicContact CG-CD2 4.22Å; R182-F309 HydrophobicContact CG-CE1 4.47Å; R182-F309 HydrophobicContact CG-CE2 3.61Å; R182-F309 HydrophobicContact CG-CZ 3.76Å; N287-F309 WeakPolarHBondContact CB-O 3.17Å; N287-F309 PolarHBondContact ND2-O 3.19Å; P297-F309 HydrophobicContact CG-CD2 4.33Å; P297-F309 HydrophobicContact CG-CE2 4Å; F299-F309 HydrophobicContact CE1-CD1 4.44Å; F299-F309 HydrophobicContact CE1-CD2 4.41Å; F299-F309 HydrophobicContact CE1-CE1 4.01Å; F299-F309 AromaticContact CE1-CE2 3.99Å; F299-F309 HydrophobicContact CE1-CE2 3.99Å; F299-F309 AromaticContact CE1-CZ 3.77Å; F299-F309 HydrophobicContact CE1-CZ 3.77Å; F299-F309 HydrophobicContact CZ-CD1 4.49Å; F299-F309 AromaticContact CZ-CD2 3.8Å; F299-F309 HydrophobicContact CZ-CD2 3.8Å; F299-F309 HydrophobicContact CZ-CE1 4.35Å; F299-F309 AromaticContact CZ-CE2 3.63Å; F299-F309 HydrophobicContact CZ-CE2 3.63Å; F299-F309 HydrophobicContact CZ-CG 4.22Å; F299-F309 AromaticContact CZ-CZ 3.93Å; F299-F309 HydrophobicContact CZ-CZ 3.93Å; Y307-F309 VanDerWaalsContact C-N 3.28Å; Y307-F309 PolarHBondContact O-N 2.89Å; Y307-F309 VanDerWaalsContact O-N 3.15Å; F309-L311 PolarHBondContact O-N 3.04Å; F309-F342 HydrophobicContact CD1-CB 3.87Å; F309-F342 HydrophobicContact CE1-CB 3.72Å; F309-F342 HydrophobicContact CE1-CG 4.45Å; F309-I344 HydrophobicContact CD1-CG2 3.87Å; F309-I344 HydrophobicContact CE1-CG2 3.86Å
310	N	93.2	Very high	84.7	Confident	26 Å²	26	65.1 Å²	65.1	14%	0.139	33%	0.331	C	S	.	.			trans	-82.5	108.8	-179.1	-179.1	-2.7	0	0	0	110.7	Y307 G312 N316	Y307-N310 VanDerWaalsContact O-CB 3.31Å; Y307-N310 WeakPolarHBondContact O-CB 3.29Å; Y307-N310 PolarHBondContact O-N 2.99Å; N310-G312 PolarHBondContact OD1-N 2.93Å; N310-N316 PolarHBondContact OD1-ND2 3.27Å
311	L	93	Very high	85.7	Confident	29 Å²	29	61.8 Å²	61.8	15%	0.152	32%	0.319	C	S	.	.			trans	-98.4	11.2	-176.9	-51.6	175.4	0	0	0	113.2	F309 N315 N316 Q319 Q343 R345	F309-L311 PolarHBondContact O-N 3.04Å; L311-N315 HydrophobicContact CB-CB 3.75Å; L311-N315 WeakPolarHBondContact O-CB 3.25Å; L311-N315 PolarHBondContact O-ND2 3.1Å; L311-N316 PolarHBondContact N-OD1 2.87Å; L311-Q319 HydrophobicContact CD1-CG 4.29Å; L311-Q343 HydrophobicContact CD1-CB 3.92Å; L311-Q343 HydrophobicContact CD2-CB 4.24Å; L311-R345 HydrophobicContact CD2-CB 4.46Å
312	G	93.3	Very high	86.9	Confident	32 Å²	32	58.2 Å²	58.2	33%	0.33	28%	0.282	S	S	.	.			trans	91.9	147.2	-169.2	0	0	0	0	0	112.6	N310 K314 N315 N316	N310-G312 PolarHBondContact OD1-N 2.93Å; G312-K314 VanDerWaalsContact C-N 3.28Å; G312-K314 PolarHBondContact O-N 3.44Å; G312-K314 VanDerWaalsContact O-N 3.13Å; G312-N315 PolarHBondContact O-N 3.49Å; G312-N315 VanDerWaalsContact O-N 3.1Å; G312-N316 WeakPolarHBondContact O-CB 3.3Å; G312-N316 PolarHBondContact O-N 2.88Å; G312-N316 PolarHBondContact O-ND2 3.24Å; G312-N316 PolarHBondContact O-OD1 3.39Å
313	W	94.4	Very high	88.5	Confident	178 Å²	178	59.5 Å²	59.5	67%	0.674	29%	0.289	S	S	*	.	H	α-helix	trans	-54.1	-39.7	-167.3	67.5	-89.9	0	0	0	113.9	F285 F317	F285-W313 HydrophobicContact CB-CB 4.41Å; F285-W313 HydrophobicContact CD1-CB 4.19Å; F285-W313 HydrophobicContact CE1-CE3 4.3Å; W313-F317 WeakPolarHBondContact O-CB 3.39Å; W313-F317 PolarHBondContact O-N 3.45Å
314	K	96.4	Very high	90.3	Very high	134 Å²	134	59.3 Å²	59.3	58%	0.583	28%	0.282	S	S	*	.	H	α-helix	trans	-65.7	-52.3	177.6	-176.5	-179	177.1	-176.1	0	111.5	G312 N316 F317 L318	G312-K314 VanDerWaalsContact C-N 3.28Å; G312-K314 PolarHBondContact O-N 3.44Å; G312-K314 VanDerWaalsContact O-N 3.13Å; K314-N316 VanDerWaalsContact C-N 3.3Å; K314-N316 PolarHBondContact O-N 3.38Å; K314-F317 WeakPolarHBondContact O-CB 3.37Å; K314-F317 PolarHBondContact O-N 3.47Å; K314-L318 HydrophobicContact CG-CD1 4.2Å; K314-L318 VanDerWaalsContact O-CG 3.31Å; K314-L318 WeakPolarHBondContact O-CG 3.21Å; K314-L318 PolarHBondContact O-N 3.06Å
315	N	96.4	Very high	92	Very high	85 Å²	85	57.1 Å²	57.1	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-65.1	-36.7	-179.6	-65.7	-27.1	0	0	0	111.6	L311 G312 F317 L318 Q319	L311-N315 HydrophobicContact CB-CB 3.75Å; L311-N315 WeakPolarHBondContact O-CB 3.25Å; L311-N315 PolarHBondContact O-ND2 3.1Å; G312-N315 PolarHBondContact O-N 3.49Å; G312-N315 VanDerWaalsContact O-N 3.1Å; N315-F317 VanDerWaalsContact C-N 3.35Å; N315-F317 PolarHBondContact O-N 3.03Å; N315-L318 PolarHBondContact O-N 3.33Å; N315-Q319 WeakPolarHBondContact O-CG 3.38Å; N315-Q319 PolarHBondContact O-N 3Å
316	N	97.1	Very high	93.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-40.6	174.9	-62.8	-19.9	0	0	0	112.3	V284 F285 N287 N310 L311 G312 K314 Q319	V284-N316 VanDerWaalsContact O-CB 3.28Å; V284-N316 WeakPolarHBondContact O-CB 3.37Å; F285-N316 PolarHBondContact O-ND2 3.04Å; N287-N316 HydrophobicContact CB-CB 3.93Å; N287-N316 WeakPolarHBondContact CB-OD1 3.31Å; N310-N316 PolarHBondContact OD1-ND2 3.27Å; L311-N316 PolarHBondContact N-OD1 2.87Å; G312-N316 WeakPolarHBondContact O-CB 3.3Å; G312-N316 PolarHBondContact O-N 2.88Å; G312-N316 PolarHBondContact O-ND2 3.24Å; G312-N316 PolarHBondContact O-OD1 3.39Å; K314-N316 VanDerWaalsContact C-N 3.3Å; K314-N316 PolarHBondContact O-N 3.38Å; N316-Q319 WeakPolarHBondContact O-CB 3.26Å; N316-Q319 PolarHBondContact O-N 3.27Å
317	F	97.7	Very high	94.6	Very high	44 Å²	44	61.6 Å²	61.6	19%	0.193	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-45.9	174.1	-179.1	-90.8	0	0	0	111.2	V284 F285 W313 K314 N315 Q319 I320 F321 W328	V284-F317 HydrophobicContact CG1-CB 4.48Å; V284-F317 HydrophobicContact CG1-CD2 4.06Å; F285-F317 HydrophobicContact CE1-CB 4.36Å; F285-F317 HydrophobicContact CE1-CD2 4.08Å; W313-F317 WeakPolarHBondContact O-CB 3.39Å; W313-F317 PolarHBondContact O-N 3.45Å; K314-F317 WeakPolarHBondContact O-CB 3.37Å; K314-F317 PolarHBondContact O-N 3.47Å; N315-F317 VanDerWaalsContact C-N 3.35Å; N315-F317 PolarHBondContact O-N 3.03Å; F317-Q319 VanDerWaalsContact C-N 3.27Å; F317-Q319 PolarHBondContact O-N 2.96Å; F317-I320 PolarHBondContact O-N 3.47Å; F317-F321 HydrophobicContact CD1-CB 4.19Å; F317-F321 HydrophobicContact CD1-CD2 4.28Å; F317-F321 AromaticContact CD2-CD2 3.68Å; F317-F321 HydrophobicContact CD2-CD2 3.68Å; F317-F321 AromaticContact CD2-CE2 3.99Å; F317-F321 HydrophobicContact CD2-CE2 3.99Å; F317-F321 HydrophobicContact CE1-CB 3.65Å; F317-F321 AromaticContact CE1-CD2 3.95Å; F317-F321 HydrophobicContact CE1-CD2 3.95Å; F317-F321 AromaticContact CE1-CG 3.9Å; F317-F321 HydrophobicContact CE1-CG 3.9Å; F317-F321 AromaticContact CE2-CD2 3.3Å; F317-F321 HydrophobicContact CE2-CD2 3.3Å; F317-F321 AromaticContact CE2-CE2 3.5Å; F317-F321 HydrophobicContact CE2-CE2 3.5Å; F317-F321 AromaticContact CE2-CG 3.91Å; F317-F321 HydrophobicContact CE2-CG 3.91Å; F317-F321 HydrophobicContact CE2-CZ 4.25Å; F317-F321 HydrophobicContact CG-CD2 4.15Å; F317-F321 HydrophobicContact CZ-CB 3.84Å; F317-F321 HydrophobicContact CZ-CD1 4.17Å; F317-F321 AromaticContact CZ-CD2 3.45Å; F317-F321 HydrophobicContact CZ-CD2 3.45Å; F317-F321 VanDerWaalsContact CZ-CD2 3.45Å; F317-F321 HydrophobicContact CZ-CE2 4.01Å; F317-F321 AromaticContact CZ-CG 3.54Å; F317-F321 HydrophobicContact CZ-CG 3.54Å; F317-F321 PolarHBondContact O-N 3.5Å; F317-W328 HydrophobicContact CD1-CZ2 4.38Å; F317-W328 AromaticContact CE1-CD2 3.85Å; F317-W328 HydrophobicContact CE1-CD2 3.85Å; F317-W328 AromaticContact CE1-CE2 3.79Å; F317-W328 AromaticContact CE1-CE3 3.91Å; F317-W328 HydrophobicContact CE1-CE3 3.91Å; F317-W328 AromaticContact CE1-CH2 3.9Å; F317-W328 HydrophobicContact CE1-CH2 3.9Å; F317-W328 AromaticContact CE1-CZ2 3.83Å; F317-W328 HydrophobicContact CE1-CZ2 3.83Å; F317-W328 AromaticContact CE1-CZ3 3.94Å; F317-W328 HydrophobicContact CE1-CZ3 3.94Å; F317-W328 HydrophobicContact CZ-CD2 4.31Å; F317-W328 HydrophobicContact CZ-CE3 4.19Å; F317-W328 HydrophobicContact CZ-CZ3 4.46Å
318	L	97.5	Very high	95.4	Very high	26 Å²	26	58.3 Å²	58.3	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-31.5	178.1	-66.4	173.8	0	0	0	112.6	K314 N315 I320 G322 W328 E336	K314-L318 HydrophobicContact CG-CD1 4.2Å; K314-L318 VanDerWaalsContact O-CG 3.31Å; K314-L318 WeakPolarHBondContact O-CG 3.21Å; K314-L318 PolarHBondContact O-N 3.06Å; N315-L318 PolarHBondContact O-N 3.33Å; L318-I320 PolarHBondContact O-N 3.03Å; L318-G322 VanDerWaalsContact CD2-O 3.3Å; L318-G322 WeakPolarHBondContact CD2-O 3.17Å; L318-G322 WeakPolarHBondContact O-CA 3.34Å; L318-G322 PolarHBondContact O-N 3.43Å; L318-W328 HydrophobicContact CD2-CZ2 3.99Å; L318-E336 WeakPolarHBondContact O-CG 3.3Å
319	Q	97.2	Very high	96	Very high	24 Å²	24	63 Å²	63	11%	0.112	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-26.9	173.2	-72.5	-90	-34.1	0	0	113.2	L311 N315 N316 F317 E336	L311-Q319 HydrophobicContact CD1-CG 4.29Å; N315-Q319 WeakPolarHBondContact O-CG 3.38Å; N315-Q319 PolarHBondContact O-N 3Å; N316-Q319 WeakPolarHBondContact O-CB 3.26Å; N316-Q319 PolarHBondContact O-N 3.27Å; F317-Q319 VanDerWaalsContact C-N 3.27Å; F317-Q319 PolarHBondContact O-N 2.96Å; Q319-E336 PolarHBondContact O-N 2.83Å
320	I	97.5	Very high	96.3	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-100.9	-44.1	-179.7	-57.6	-54.4	0	0	0	112.2	K195 Y212 K213 F317 L318 S335	K195-I320 VanDerWaalsContact NZ-CD1 3.33Å; Y212-I320 HydrophobicContact CD1-CD1 3.79Å; Y212-I320 HydrophobicContact CD1-CG1 4.17Å; Y212-I320 HydrophobicContact CD1-CG2 3.94Å; Y212-I320 HydrophobicContact CE1-CD1 4.37Å; Y212-I320 HydrophobicContact CE1-CG1 4.48Å; K213-I320 HydrophobicContact CB-CG2 4.09Å; F317-I320 PolarHBondContact O-N 3.47Å; L318-I320 PolarHBondContact O-N 3.03Å; I320-S335 PolarHBondContact O-OG 2.88Å
321	F	98.1	Very high	96.5	Very high	17 Å²	17	64.5 Å²	64.5	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-97.3	-12.4	-173.1	-71.5	-89.3	0	0	0	113.6	K213 M216 L217 V284 F317 W328 S334	K213-F321 HydrophobicContact CD-CD1 4.46Å; K213-F321 HydrophobicContact CG-CD1 4.09Å; K213-F321 HydrophobicContact CG-CE1 4.15Å; M216-F321 HydrophobicContact CB-CZ 3.94Å; M216-F321 HydrophobicContact CG-CZ 4.36Å; L217-F321 HydrophobicContact CD2-CE1 4.37Å; V284-F321 HydrophobicContact CG1-CE2 4.48Å; F317-F321 HydrophobicContact CD1-CB 4.19Å; F317-F321 HydrophobicContact CD1-CD2 4.28Å; F317-F321 AromaticContact CD2-CD2 3.68Å; F317-F321 HydrophobicContact CD2-CD2 3.68Å; F317-F321 AromaticContact CD2-CE2 3.99Å; F317-F321 HydrophobicContact CD2-CE2 3.99Å; F317-F321 HydrophobicContact CE1-CB 3.65Å; F317-F321 AromaticContact CE1-CD2 3.95Å; F317-F321 HydrophobicContact CE1-CD2 3.95Å; F317-F321 AromaticContact CE1-CG 3.9Å; F317-F321 HydrophobicContact CE1-CG 3.9Å; F317-F321 AromaticContact CE2-CD2 3.3Å; F317-F321 HydrophobicContact CE2-CD2 3.3Å; F317-F321 AromaticContact CE2-CE2 3.5Å; F317-F321 HydrophobicContact CE2-CE2 3.5Å; F317-F321 AromaticContact CE2-CG 3.91Å; F317-F321 HydrophobicContact CE2-CG 3.91Å; F317-F321 HydrophobicContact CE2-CZ 4.25Å; F317-F321 HydrophobicContact CG-CD2 4.15Å; F317-F321 HydrophobicContact CZ-CB 3.84Å; F317-F321 HydrophobicContact CZ-CD1 4.17Å; F317-F321 AromaticContact CZ-CD2 3.45Å; F317-F321 HydrophobicContact CZ-CD2 3.45Å; F317-F321 VanDerWaalsContact CZ-CD2 3.45Å; F317-F321 HydrophobicContact CZ-CE2 4.01Å; F317-F321 AromaticContact CZ-CG 3.54Å; F317-F321 HydrophobicContact CZ-CG 3.54Å; F317-F321 PolarHBondContact O-N 3.5Å; F321-W328 HydrophobicContact CB-CG 4.24Å; F321-W328 HydrophobicContact CD1-CB 4.5Å; F321-W328 WeakPolarHBondContact CD1-O 3.5Å; F321-W328 VanDerWaalsContact O-CD1 3.32Å; F321-S334 CarbonylContact C-O 3.52Å; F321-S334 PolarHBondContact O-OG 3.4Å
322	G	97	Very high	96.7	Very high	2 Å²	2	65.2 Å²	65.2	2%	0.021	32%	0.317	C	S	.	.			trans	77	170.5	179.7	0	0	0	0	0	113.7	L318 W328 S334	L318-G322 VanDerWaalsContact CD2-O 3.3Å; L318-G322 WeakPolarHBondContact CD2-O 3.17Å; L318-G322 WeakPolarHBondContact O-CA 3.34Å; L318-G322 PolarHBondContact O-N 3.43Å; G322-W328 PolarHBondContact O-NE1 3.27Å; G322-S334 WeakPolarHBondContact CA-O 3.29Å; G322-S334 PolarHBondContact N-O 2.85Å; G322-S334 VanDerWaalsContact N-O 3.13Å
323	N	96	Very high	96.9	Very high	111 Å²	111	68.4 Å²	68.4	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-74.2	-23.2	-179.2	-69	-62	0	0	0	114.2	I325 E336	N323-I325 PolarHBondContact O-N 2.86Å; N323-E336 PolarHBondContact ND2-OE1 3.41Å
324	N	96	Very high	97	Very high	69 Å²	69	60.7 Å²	60.7	37%	0.369	30%	0.295	S	S	.	.			trans	-86.9	105	-177.7	-171.8	-14.5	0	0	0	112	K326 H327	N324-K326 PolarHBondContact O-N 3.13Å; N324-K326 VanDerWaalsContact O-N 3.13Å; N324-K326 WeakPolarHBondContact OD1-CB 3.36Å; N324-K326 PolarHBondContact OD1-N 2.89Å; N324-K326 VanDerWaalsContact OD1-N 3.07Å; N324-H327 PolarHBondContact ND2-CE1 2.86Å; N324-H327 PolarHBondContact O-N 3.33Å
325	I	95.7	Very high	97.1	Very high	117 Å²	117	54.9 Å²	54.9	60%	0.6	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.4	179.9	-166.8	167.3	0	0	0	113.9	N323 H327 W328	N323-I325 PolarHBondContact O-N 2.86Å; I325-H327 PolarHBondContact O-N 3.2Å; I325-H327 VanDerWaalsContact O-N 3.13Å; I325-W328 HydrophobicContact CB-CD2 4.41Å; I325-W328 HydrophobicContact CD1-CE3 4.47Å; I325-W328 HydrophobicContact CD1-CZ3 4.33Å; I325-W328 HydrophobicContact CG1-CD2 4Å; I325-W328 HydrophobicContact CG1-CE3 3.91Å; I325-W328 HydrophobicContact CG1-CZ3 4.2Å; I325-W328 WeakPolarHBondContact O-CB 3.49Å; I325-W328 PolarHBondContact O-N 2.95Å; I325-W328 VanDerWaalsContact O-N 3.1Å
326	K	96	Very high	97	Very high	166 Å²	166	54.4 Å²	54.4	72%	0.722	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.7	179.4	-61.8	-179.2	179.7	179.3	0	112.2	N324 L330	N324-K326 PolarHBondContact O-N 3.13Å; N324-K326 VanDerWaalsContact O-N 3.13Å; N324-K326 WeakPolarHBondContact OD1-CB 3.36Å; N324-K326 PolarHBondContact OD1-N 2.89Å; N324-K326 VanDerWaalsContact OD1-N 3.07Å; K326-L330 WeakPolarHBondContact O-CD1 3.35Å
327	H	96.5	Very high	96.8	Very high	68 Å²	68	57.2 Å²	57.2	32%	0.315	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-91.9	-12.3	-178.6	-60.6	162.7	0	0	0	112.9	K213 N324 I325 L329 L330 V332	K213-H327 WeakPolarHBondContact CE-O 3.32Å; K213-H327 PolarHBondContact NZ-O 3.36Å; N324-H327 PolarHBondContact ND2-CE1 2.86Å; N324-H327 PolarHBondContact O-N 3.33Å; I325-H327 PolarHBondContact O-N 3.2Å; I325-H327 VanDerWaalsContact O-N 3.13Å; H327-L329 VanDerWaalsContact C-N 3.32Å; H327-L329 PolarHBondContact O-N 3.41Å; H327-L330 PolarHBondContact O-N 2.88Å; H327-L330 VanDerWaalsContact O-N 3.08Å; H327-L330 VanDerWaalsContact O-O 3.06Å; H327-V332 HydrophobicContact CB-CG2 3.75Å
328	W	97.8	Very high	96.6	Very high	76 Å²	76	58.7 Å²	58.7	29%	0.288	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-43.2	-170	-72.6	4.7	0	0	0	113.1	F317 L318 F321 G322 I325	F317-W328 HydrophobicContact CD1-CZ2 4.38Å; F317-W328 AromaticContact CE1-CD2 3.85Å; F317-W328 HydrophobicContact CE1-CD2 3.85Å; F317-W328 AromaticContact CE1-CE2 3.79Å; F317-W328 AromaticContact CE1-CE3 3.91Å; F317-W328 HydrophobicContact CE1-CE3 3.91Å; F317-W328 AromaticContact CE1-CH2 3.9Å; F317-W328 HydrophobicContact CE1-CH2 3.9Å; F317-W328 AromaticContact CE1-CZ2 3.83Å; F317-W328 HydrophobicContact CE1-CZ2 3.83Å; F317-W328 AromaticContact CE1-CZ3 3.94Å; F317-W328 HydrophobicContact CE1-CZ3 3.94Å; F317-W328 HydrophobicContact CZ-CD2 4.31Å; F317-W328 HydrophobicContact CZ-CE3 4.19Å; F317-W328 HydrophobicContact CZ-CZ3 4.46Å; L318-W328 HydrophobicContact CD2-CZ2 3.99Å; F321-W328 HydrophobicContact CB-CG 4.24Å; F321-W328 HydrophobicContact CD1-CB 4.5Å; F321-W328 WeakPolarHBondContact CD1-O 3.5Å; F321-W328 VanDerWaalsContact O-CD1 3.32Å; G322-W328 PolarHBondContact O-NE1 3.27Å; I325-W328 HydrophobicContact CB-CD2 4.41Å; I325-W328 HydrophobicContact CD1-CE3 4.47Å; I325-W328 HydrophobicContact CD1-CZ3 4.33Å; I325-W328 HydrophobicContact CG1-CD2 4Å; I325-W328 HydrophobicContact CG1-CE3 3.91Å; I325-W328 HydrophobicContact CG1-CZ3 4.2Å; I325-W328 WeakPolarHBondContact O-CB 3.49Å; I325-W328 PolarHBondContact O-N 2.95Å; I325-W328 VanDerWaalsContact O-N 3.1Å
329	L	97.4	Very high	96.4	Very high	105 Å²	105	57.5 Å²	57.5	55%	0.55	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.9	-179.6	-64.1	-178.7	0	0	0	113.2	Y221 H327	Y221-L329 WeakPolarHBondContact OH-CB 3.19Å; Y221-L329 PolarHBondContact OH-O 3.47Å; H327-L329 VanDerWaalsContact C-N 3.32Å; H327-L329 PolarHBondContact O-N 3.41Å
330	L	97.9	Very high	96.2	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.335	30%	0.295	S	S	.	.	S	Bend	trans	-101.7	136.4	-178.2	-63.2	179.8	0	0	0	111	L106 W109 K213 L217 K326 H327 V332	L106-L330 HydrophobicContact CD2-CD2 4.3Å; W109-L330 HydrophobicContact CH2-CB 4.47Å; W109-L330 HydrophobicContact CH2-CD2 4.4Å; W109-L330 HydrophobicContact CZ3-CD2 3.97Å; K213-L330 WeakPolarHBondContact CE-O 3.47Å; K213-L330 PolarHBondContact NZ-O 3.16Å; K213-L330 VanDerWaalsContact NZ-O 3.08Å; L217-L330 VanDerWaalsContact CD1-C 3.48Å; L217-L330 WeakPolarHBondContact CD1-O 3.36Å; K326-L330 WeakPolarHBondContact O-CD1 3.35Å; H327-L330 PolarHBondContact O-N 2.88Å; H327-L330 VanDerWaalsContact O-N 3.08Å; H327-L330 VanDerWaalsContact O-O 3.06Å; L330-V332 HydrophobicContact CB-CG1 4.36Å; L330-V332 HydrophobicContact CB-CG2 4Å; L330-V332 PolarHBondContact O-N 3.27Å
331	P	97.9	Very high	96	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.31	C	S	.	.	S	Bend	trans	-68	48	172.2	-22.5	35.9	0	0	0	114.8	W109 S110 K113 Y214 L217	W109-P331 HydrophobicContact CB-CG 4.29Å; W109-P331 HydrophobicContact CD2-CB 4Å; W109-P331 HydrophobicContact CD2-CG 3.82Å; W109-P331 HydrophobicContact CE3-CG 4.12Å; W109-P331 HydrophobicContact CG-CB 4.02Å; W109-P331 HydrophobicContact CG-CG 3.91Å; S110-P331 WeakPolarHBondContact OG-CG 3.46Å; K113-P331 HydrophobicContact CB-CB 4.23Å; K113-P331 WeakPolarHBondContact CE-O 3.27Å; K113-P331 HydrophobicContact CG-CB 3.94Å; K113-P331 WeakPolarHBondContact CG-O 3.35Å; Y214-P331 HydrophobicContact CD1-CB 4.25Å; Y214-P331 VanDerWaalsContact CE1-C 3.45Å; Y214-P331 WeakPolarHBondContact CE1-O 3.43Å; L217-P331 HydrophobicContact CD1-CB 4.48Å; L217-P331 HydrophobicContact CD1-CG 4.15Å
332	V	97.6	Very high	95.7	Very high	44 Å²	44	59 Å²	59	27%	0.267	31%	0.311	S	S	.	.	S	Bend	trans	-110.4	146.6	175	-61.2	0	0	0	0	109.9	W109 K213 H327 L330 S334	W109-V332 HydrophobicContact CH2-CG1 4.14Å; W109-V332 HydrophobicContact CZ2-CG1 3.89Å; K213-V332 PolarHBondContact NZ-O 2.85Å; H327-V332 HydrophobicContact CB-CG2 3.75Å; L330-V332 HydrophobicContact CB-CG1 4.36Å; L330-V332 HydrophobicContact CB-CG2 4Å; L330-V332 PolarHBondContact O-N 3.27Å; V332-S334 PolarHBondContact O-N 3.41Å
333	F	97.1	Very high	95.3	Very high	99 Å²	99	64.8 Å²	64.8	43%	0.434	34%	0.338	S	S	.	.			trans	-66.9	127.5	-178.2	-167.7	-98	0	0	0	109.8	Y209 Y214	Y209-F333 HydrophobicContact CE1-CE2 4.46Å; Y209-F333 AromaticContact CE1-CZ 3.77Å; Y209-F333 HydrophobicContact CE1-CZ 3.77Å; Y209-F333 AromaticContact CZ-CZ 3.72Å; Y209-F333 WeakPolarHBondContact OH-CZ 3.38Å; Y214-F333 VanDerWaalsContact OH-CA 3.27Å; Y214-F333 WeakPolarHBondContact OH-CA 3.47Å; Y214-F333 VanDerWaalsContact OH-CB 3.23Å; Y214-F333 WeakPolarHBondContact OH-CB 3.25Å; Y214-F333 PolarHBondContact OH-N 2.91Å
334	S	97.5	Very high	94.9	Very high	17 Å²	17	61.7 Å²	61.7	12%	0.119	32%	0.321	C	S	.	.			trans	-152.2	16.9	174.6	64.2	0	0	0	0	112.8	K213 F321 G322 V332	K213-S334 PolarHBondContact NZ-OG 3.44Å; F321-S334 CarbonylContact C-O 3.52Å; F321-S334 PolarHBondContact O-OG 3.4Å; G322-S334 WeakPolarHBondContact CA-O 3.29Å; G322-S334 PolarHBondContact N-O 2.85Å; G322-S334 VanDerWaalsContact N-O 3.13Å; V332-S334 PolarHBondContact O-N 3.41Å
335	S	97	Very high	94.1	Very high	12 Å²	12	66.1 Å²	66.1	8%	0.084	33%	0.333	C	S	.	.			trans	-66.1	146.7	172.3	-52.7	0	0	0	0	109.7	I320	I320-S335 PolarHBondContact O-OG 2.88Å
336	E	95.5	Very high	92.8	Very high	75 Å²	75	68.8 Å²	68.8	35%	0.35	34%	0.342	S	S	.	.			trans	-88	152	178.5	-60.5	-73.9	160.8	0	0	110.9	Y209 L318 Q319 N323	Y209-E336 WeakPolarHBondContact CE2-O 3.38Å; Y209-E336 PolarHBondContact OH-O 2.82Å; L318-E336 WeakPolarHBondContact O-CG 3.3Å; Q319-E336 PolarHBondContact O-N 2.83Å; N323-E336 PolarHBondContact ND2-OE1 3.41Å
337	G	93.2	Very high	91.1	Very high	58 Å²	58	64.8 Å²	64.8	60%	0.598	33%	0.328	S	S	*	.	S	Bend	trans	93.7	-170.6	176.9	0	0	0	0	0	114.8	Y209	Y209-G337 PolarHBondContact OH-O 2.68Å
338	D	93.4	Very high	88.8	Confident	76 Å²	76	64 Å²	64	41%	0.406	33%	0.329	S	S	.	.			trans	-108.1	-6	179.4	60.4	8.7	0	0	0	112.7	V340 S341	D338-V340 VanDerWaalsContact C-N 3.31Å; D338-V340 HydrophobicContact CB-CG2 4.33Å; D338-V340 VanDerWaalsContact CG-CG2 3.44Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.3Å; D338-V340 PolarHBondContact OD1-N 3.3Å; D338-V340 WeakPolarHBondContact OD2-CG2 3.26Å; D338-S341 PolarHBondContact OD1-N 3.3Å; D338-S341 PolarHBondContact OD1-OG 3.16Å; D338-S341 PolarHBondContact OD2-OG 3.4Å
339	G	93	Very high	86.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	83.1	-3.7	-176.6	0	0	0	0	0	115.2	P194 Y209 F342	P194-G339 WeakPolarHBondContact CB-O 3.38Å; Y209-G339 VanDerWaalsContact CD1-CA 3.46Å; Y209-G339 VanDerWaalsContact CG-CA 3.43Å; G339-F342 WeakPolarHBondContact O-CZ 3.42Å
340	V	93.4	Very high	84.1	Confident	6 Å²	6	67 Å²	67	4%	0.036	35%	0.348	C	S	.	.	S	Bend	trans	-122.9	-19.3	-179	-64	0	0	0	0	113.6	P123 F126 P180 P194 D338	P123-V340 HydrophobicContact CG-CG2 4.09Å; F126-V340 HydrophobicContact CE2-CB 4.39Å; F126-V340 HydrophobicContact CE2-CG2 4.34Å; F126-V340 HydrophobicContact CZ-CB 4.38Å; P180-V340 HydrophobicContact CB-CB 3.76Å; P180-V340 HydrophobicContact CB-CG1 3.98Å; P180-V340 HydrophobicContact CG-CB 4.03Å; P180-V340 HydrophobicContact CG-CG1 3.79Å; P194-V340 HydrophobicContact CB-CG1 4.46Å; D338-V340 VanDerWaalsContact C-N 3.31Å; D338-V340 HydrophobicContact CB-CG2 4.33Å; D338-V340 VanDerWaalsContact CG-CG2 3.44Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.3Å; D338-V340 PolarHBondContact OD1-N 3.3Å; D338-V340 WeakPolarHBondContact OD2-CG2 3.26Å
341	S	92.2	Very high	81.9	Confident	50 Å²	50	70.9 Å²	70.9	35%	0.35	37%	0.365	S	S	.	.			trans	-116.8	137.9	171.5	65.7	0	0	0	0	110.2	D338	D338-S341 PolarHBondContact OD1-N 3.3Å; D338-S341 PolarHBondContact OD1-OG 3.16Å; D338-S341 PolarHBondContact OD2-OG 3.4Å
342	F	92	Very high	79.5	Confident	22 Å²	22	74.1 Å²	74.1	10%	0.096	38%	0.382	C	S	.	.			trans	-135.9	138	-175.7	-60.2	-81.2	0	0	0	110.6	L161 D181 R182 K195 F309 G339	L161-F342 WeakPolarHBondContact CD1-O 3.25Å; D181-F342 HydrophobicContact CB-CD2 4.09Å; D181-F342 VanDerWaalsContact O-CE2 3.27Å; D181-F342 WeakPolarHBondContact O-CE2 3.46Å; R182-F342 HydrophobicContact CB-CE2 4.07Å; R182-F342 HydrophobicContact CB-CZ 4.38Å; R182-F342 HydrophobicContact CG-CD2 3.94Å; R182-F342 HydrophobicContact CG-CE2 3.93Å; R182-F342 HydrophobicContact CG-CG 4.46Å; R182-F342 HydrophobicContact CG-CZ 4.43Å; K195-F342 HydrophobicContact CB-CE1 4.33Å; K195-F342 HydrophobicContact CB-CZ 3.92Å; K195-F342 HydrophobicContact CD-CE1 3.89Å; K195-F342 HydrophobicContact CD-CZ 4.33Å; K195-F342 HydrophobicContact CG-CE1 4.23Å; K195-F342 HydrophobicContact CG-CZ 4.21Å; F309-F342 HydrophobicContact CD1-CB 3.87Å; F309-F342 HydrophobicContact CE1-CB 3.72Å; F309-F342 HydrophobicContact CE1-CG 4.45Å; G339-F342 WeakPolarHBondContact O-CZ 3.42Å
343	Q	89.4	Confident	77.3	Confident	125 Å²	125	78.2 Å²	78.2	58%	0.584	39%	0.393	S	S	*	.			trans	-67.4	140.5	171.2	-66.4	175	2.2	0	0	109.9	L311	L311-Q343 HydrophobicContact CD1-CB 3.92Å; L311-Q343 HydrophobicContact CD2-CB 4.24Å
344	I	87	Confident	75.2	Confident	45 Å²	45	76.7 Å²	76.7	23%	0.231	40%	0.395	C	S	.	.			trans	-111.4	150.5	169.5	51.5	164.4	0	0	0	109.5	L161 F299 G308 F309 E346	L161-I344 HydrophobicContact CD1-CG1 4.32Å; L161-I344 HydrophobicContact CD1-CG2 3.59Å; L161-I344 HydrophobicContact CD2-CD1 4.35Å; F299-I344 HydrophobicContact CE1-CG2 3.87Å; G308-I344 CarbonylContact O-C 3.47Å; G308-I344 VanDerWaalsContact O-CA 3.23Å; G308-I344 WeakPolarHBondContact O-CA 3.42Å; G308-I344 WeakPolarHBondContact O-CB 3.34Å; F309-I344 HydrophobicContact CD1-CG2 3.87Å; F309-I344 HydrophobicContact CE1-CG2 3.86Å; I344-E346 PolarHBondContact O-N 2.91Å
345	R	79.3	Confident	72.9	Confident	163 Å²	163	80.9 Å²	80.9	62%	0.615	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-65.5	118.8	170.3	-175.1	175.2	-179.1	-177.6	0.4	108.5	G308 L311 I347	G308-R345 PolarHBondContact O-N 2.83Å; L311-R345 HydrophobicContact CD2-CB 4.46Å; R345-I347 PolarHBondContact O-N 3.47Å
346	E	67.9	Low	70.5	Confident	172 Å²	172	85.2 Å²	85.2	80%	0.804	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-60.7	119.1	166	-69.1	-179.6	177.7	0	0	107.6	I344	I344-E346 PolarHBondContact O-N 2.91Å
347	I	59.7	Low	68.6	Low	83 Å²	83	87.5 Å²	87.5	43%	0.426	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-80.8	129.6	165.5	-58.8	177.9	0	0	0	104	R305 R345 T349	R305-I347 HydrophobicContact CG-CD1 3.83Å; R345-I347 PolarHBondContact O-N 3.47Å; I347-T349 PolarHBondContact O-N 3.38Å
348	P	47.8	Very low	67.3	Low	52 Å²	52	89 Å²	89	34%	0.338	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-47.5	118.3	168.9	-21.9	30.6	0	0	0	107.7	D352 Y353	P348-D352 WeakPolarHBondContact CA-OD2 3.26Å; P348-D352 HydrophobicContact CB-CB 3.47Å; P348-D352 VanDerWaalsContact CB-CB 3.47Å; P348-Y353 HydrophobicContact CB-CD2 3.99Å; P348-Y353 HydrophobicContact CB-CE2 3.89Å; P348-Y353 HydrophobicContact CG-CE2 4.35Å
349	T	48.6	Very low	66	Low	72 Å²	72	90.9 Å²	90.9	44%	0.442	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-56.8	163.6	172.6	57.3	0	0	0	0	109	I347 E351 D352 Y353	I347-T349 PolarHBondContact O-N 3.38Å; T349-E351 PolarHBondContact O-N 3.13Å; T349-E351 VanDerWaalsContact O-N 3.08Å; T349-D352 PolarHBondContact N-OD2 2.59Å; T349-D352 WeakPolarHBondContact O-CA 3.45Å; T349-D352 WeakPolarHBondContact O-CB 3.4Å; T349-D352 PolarHBondContact O-N 2.95Å; T349-D352 PolarHBondContact OG1-N 3.34Å; T349-D352 PolarHBondContact OG1-OD2 3.19Å; T349-Y353 PolarHBondContact O-N 3.31Å; T349-Y353 VanDerWaalsContact O-N 3.12Å
350	H	49.6	Very low	64.4	Low	172 Å²	172	100 Å²	100	80%	0.796	51%	0.514	S	S	*	.	H	α-helix	trans	-56.1	-27.7	174.7	-131.9	-68.3	0	0	0	111.5	Y353 S354	H350-Y353 PolarHBondContact O-N 3.31Å; H350-S354 PolarHBondContact O-N 3.27Å; H350-S354 VanDerWaalsContact O-N 3.13Å; H350-S354 PolarHBondContact O-OG 3.16Å; H350-S354 VanDerWaalsContact O-OG 3.06Å
351	E	50	Low	62.9	Low	145 Å²	145	104.8 Å²	104.8	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-40.2	170.9	-69.6	178.6	163.6	0	0	112.8	T349 Y353 S354 L355	T349-E351 PolarHBondContact O-N 3.13Å; T349-E351 VanDerWaalsContact O-N 3.08Å; E351-Y353 VanDerWaalsContact C-N 3.32Å; E351-Y353 PolarHBondContact O-N 3.46Å; E351-S354 WeakPolarHBondContact CA-OG 3.48Å; E351-S354 PolarHBondContact O-N 2.88Å; E351-S354 PolarHBondContact O-OG 3.18Å; E351-L355 WeakPolarHBondContact O-CB 3.48Å; E351-L355 PolarHBondContact O-N 3.38Å
352	D	49.2	Very low	61.4	Low	68 Å²	68	107.6 Å²	107.6	36%	0.364	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-32.7	175.7	-64	-50.8	0	0	0	112.1	P348 T349 L356	P348-D352 WeakPolarHBondContact CA-OD2 3.26Å; P348-D352 HydrophobicContact CB-CB 3.47Å; P348-D352 VanDerWaalsContact CB-CB 3.47Å; T349-D352 PolarHBondContact N-OD2 2.59Å; T349-D352 WeakPolarHBondContact O-CA 3.45Å; T349-D352 WeakPolarHBondContact O-CB 3.4Å; T349-D352 PolarHBondContact O-N 2.95Å; T349-D352 PolarHBondContact OG1-N 3.34Å; T349-D352 PolarHBondContact OG1-OD2 3.19Å; D352-L356 VanDerWaalsContact O-CB 3.31Å; D352-L356 WeakPolarHBondContact O-CB 3.38Å; D352-L356 WeakPolarHBondContact O-CD1 3.43Å; D352-L356 VanDerWaalsContact O-CG 3.26Å; D352-L356 WeakPolarHBondContact O-CG 3.42Å; D352-L356 PolarHBondContact O-N 3Å
353	Y	50.3	Low	59.7	Low	130 Å²	130	112.4 Å²	112.4	51%	0.51	57%	0.573	S	S	.	*	H	α-helix	trans	-69.1	-40.4	172.3	-86.7	-83.1	0	0	0	112.3	P348 T349 H350 E351 L356 L357	P348-Y353 HydrophobicContact CB-CD2 3.99Å; P348-Y353 HydrophobicContact CB-CE2 3.89Å; P348-Y353 HydrophobicContact CG-CE2 4.35Å; T349-Y353 PolarHBondContact O-N 3.31Å; T349-Y353 VanDerWaalsContact O-N 3.12Å; H350-Y353 PolarHBondContact O-N 3.31Å; E351-Y353 VanDerWaalsContact C-N 3.32Å; E351-Y353 PolarHBondContact O-N 3.46Å; Y353-L356 PolarHBondContact O-N 3.2Å; Y353-L357 VanDerWaalsContact O-CB 3.29Å; Y353-L357 WeakPolarHBondContact O-CB 3.38Å; Y353-L357 VanDerWaalsContact O-CG 3.25Å; Y353-L357 WeakPolarHBondContact O-CG 3.37Å; Y353-L357 PolarHBondContact O-N 3.38Å
354	S	52.6	Low	57.9	Low	68 Å²	68	111.6 Å²	111.6	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-71.2	-31.3	175.1	41	0	0	0	0	112.6	H350 E351 S358	H350-S354 PolarHBondContact O-N 3.27Å; H350-S354 VanDerWaalsContact O-N 3.13Å; H350-S354 PolarHBondContact O-OG 3.16Å; H350-S354 VanDerWaalsContact O-OG 3.06Å; E351-S354 WeakPolarHBondContact CA-OG 3.48Å; E351-S354 PolarHBondContact O-N 2.88Å; E351-S354 PolarHBondContact O-OG 3.18Å; S354-S358 WeakPolarHBondContact O-CB 3.35Å; S354-S358 PolarHBondContact O-N 3.43Å; S354-S358 PolarHBondContact O-OG 3.22Å
355	L	50.2	Low	56.1	Low	104 Å²	104	115.8 Å²	115.8	55%	0.545	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-46.4	168.8	-87.3	153.1	0	0	0	111.3	E351 L357 S358 T359	E351-L355 WeakPolarHBondContact O-CB 3.48Å; E351-L355 PolarHBondContact O-N 3.38Å; L355-L357 VanDerWaalsContact C-N 3.35Å; L355-L357 PolarHBondContact O-N 3.35Å; L355-S358 WeakPolarHBondContact CA-OG 3.39Å; L355-S358 PolarHBondContact O-N 3.22Å; L355-S358 PolarHBondContact O-OG 3.29Å; L355-T359 PolarHBondContact O-N 3.31Å; L355-T359 VanDerWaalsContact O-N 3.08Å; L355-T359 PolarHBondContact O-OG1 3.45Å
356	L	46.2	Very low	54.6	Low	103 Å²	103	112.7 Å²	112.7	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-38.5	176.9	-78.1	164.7	0	0	0	112.5	D352 Y353 S358 T359 I360	D352-L356 VanDerWaalsContact O-CB 3.31Å; D352-L356 WeakPolarHBondContact O-CB 3.38Å; D352-L356 WeakPolarHBondContact O-CD1 3.43Å; D352-L356 VanDerWaalsContact O-CG 3.26Å; D352-L356 WeakPolarHBondContact O-CG 3.42Å; D352-L356 PolarHBondContact O-N 3Å; Y353-L356 PolarHBondContact O-N 3.2Å; L356-S358 VanDerWaalsContact C-N 3.34Å; L356-T359 PolarHBondContact O-N 3.35Å; L356-I360 PolarHBondContact O-N 2.89Å
357	L	56.8	Low	53.6	Low	123 Å²	123	108.4 Å²	108.4	64%	0.644	58%	0.577	S	S	*	*	H	α-helix	trans	-75.5	-18.1	176.1	-72.8	170.1	0	0	0	114	Y353 L355	Y353-L357 VanDerWaalsContact O-CB 3.29Å; Y353-L357 WeakPolarHBondContact O-CB 3.38Å; Y353-L357 VanDerWaalsContact O-CG 3.25Å; Y353-L357 WeakPolarHBondContact O-CG 3.37Å; Y353-L357 PolarHBondContact O-N 3.38Å; L355-L357 VanDerWaalsContact C-N 3.35Å; L355-L357 PolarHBondContact O-N 3.35Å
358	S	65.2	Low	53.1	Low	89 Å²	89	110.4 Å²	110.4	62%	0.622	59%	0.589	S	S	*	*	H	α-helix	trans	-92.4	-7.8	172.2	54.4	0	0	0	0	113.3	S354 L355 L356	S354-S358 WeakPolarHBondContact O-CB 3.35Å; S354-S358 PolarHBondContact O-N 3.43Å; S354-S358 PolarHBondContact O-OG 3.22Å; L355-S358 WeakPolarHBondContact CA-OG 3.39Å; L355-S358 PolarHBondContact O-N 3.22Å; L355-S358 PolarHBondContact O-OG 3.29Å; L356-S358 VanDerWaalsContact C-N 3.34Å
359	T	65.3	Low	53.6	Low	117 Å²	117	115.3 Å²	115.3	72%	0.718	61%	0.61	S	S	*	*			trans	-98.4	-4.7	173	-32.2	0	0	0	0	112.8	L355 L356	L355-T359 PolarHBondContact O-N 3.31Å; L355-T359 VanDerWaalsContact O-N 3.08Å; L355-T359 PolarHBondContact O-OG1 3.45Å; L356-T359 PolarHBondContact O-N 3.35Å
360	I	59.2	Low	54	Low	192 Å²	192	119.2 Å²	119.2	99%	0.985	63%	0.625	S	S	*	*			trans	-102	0	167.3	-62.6	171.4	0	0	0	107.2	L356	L356-I360 PolarHBondContact O-N 2.89Å

Retrieved 360 of 360 residues in 176.7 ms (Link to these results)

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