A0A061ACQ0_CAEEL Loading...

Acyl_transf_3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACQ0, Species CAEEL (Caenorhabditis elegans), Gene oac-38, Length 588 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.1	Very low	82.6	Confident	206 Å²	206	61.8 Å²	61.8	100%	1.015	30%	0.298	S	S	*	.				0	123.5	0	-79.7	177.5	174.9	0	0	109.3
2	N	57.3	Low	83.8	Confident	162 Å²	162	56.7 Å²	56.7	87%	0.866	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-62.9	152.3	170.2	-72.1	-20.2	0	0	0	110.2	R4	N2-R4 PolarHBondContact O-N 3.4Å
3	K	73.4	Confident	84.8	Confident	146 Å²	146	55.1 Å²	55.1	64%	0.635	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-61.2	119.3	176.1	-178.4	-173.6	176	-167.3	0	108.7	L5	K3-L5 PolarHBondContact O-N 2.8Å
4	R	82.8	Confident	85.8	Confident	54 Å²	54	51.1 Å²	51.1	20%	0.204	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-61.5	122.7	169.1	-78.7	-175.6	65.1	174.4	0.1	109.7	N2 D6 P7 I274 Q278	N2-R4 PolarHBondContact O-N 3.4Å; R4-D6 WeakPolarHBondContact CB-OD1 3.32Å; R4-D6 IonicContact CZ-OD1 3.68Å; R4-D6 IonicContact CZ-OD2 3.57Å; R4-D6 IonicContact NE-OD1 3.72Å; R4-D6 PolarHBondContact NE-OD1 3.19Å; R4-D6 IonicContact NE-OD2 3.54Å; R4-D6 IonicContact NH2-OD1 3.73Å; R4-D6 PolarHBondContact NH2-OD1 3.45Å; R4-D6 IonicContact NH2-OD2 2.74Å; R4-D6 PolarHBondContact NH2-OD2 3.41Å; R4-P7 HydrophobicContact CB-CG 4.31Å; R4-I274 PolarHBondContact NH2-O 3.27Å; R4-Q278 VanDerWaalsContact CZ-CG 3.44Å
5	L	88.6	Confident	86.6	Confident	73 Å²	73	47.7 Å²	47.7	38%	0.382	23%	0.231	S	C	.	.			trans	-88.4	-25	178.8	-66.1	-179.3	0	0	0	112.2	K3 Q8 G9 T289	K3-L5 PolarHBondContact O-N 2.8Å; L5-Q8 WeakPolarHBondContact O-CA 3.47Å; L5-Q8 WeakPolarHBondContact O-CB 3.39Å; L5-Q8 PolarHBondContact O-N 3.38Å; L5-G9 PolarHBondContact O-N 2.88Å; L5-G9 VanDerWaalsContact O-N 3.1Å; L5-T289 HydrophobicContact CB-CG2 4.11Å
6	D	90.1	Very high	87.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-38.7	-175.1	64.7	-73.7	0	0	0	114.6	R4 Q8 G9 V10 S277 L283	R4-D6 WeakPolarHBondContact CB-OD1 3.32Å; R4-D6 IonicContact CZ-OD1 3.68Å; R4-D6 IonicContact CZ-OD2 3.57Å; R4-D6 IonicContact NE-OD1 3.72Å; R4-D6 PolarHBondContact NE-OD1 3.19Å; R4-D6 IonicContact NE-OD2 3.54Å; R4-D6 IonicContact NH2-OD1 3.73Å; R4-D6 PolarHBondContact NH2-OD1 3.45Å; R4-D6 IonicContact NH2-OD2 2.74Å; R4-D6 PolarHBondContact NH2-OD2 3.41Å; D6-Q8 PolarHBondContact O-N 2.92Å; D6-G9 WeakPolarHBondContact O-CA 3.35Å; D6-G9 PolarHBondContact O-N 3.01Å; D6-V10 WeakPolarHBondContact O-CG2 3.46Å; D6-V10 PolarHBondContact O-N 3.21Å; D6-S277 VanDerWaalsContact CB-O 3.25Å; D6-S277 WeakPolarHBondContact CB-O 3.45Å; D6-S277 PolarHBondContact OD2-OG 3.04Å; D6-L283 HydrophobicContact CB-CB 4.15Å
7	P	93	Very high	87.9	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-24.3	174.9	-17.6	34.3	0	0	0	112	R4 R11 L41 F44	R4-P7 HydrophobicContact CB-CG 4.31Å; P7-R11 WeakPolarHBondContact O-CG 3.48Å; P7-R11 PolarHBondContact O-N 2.59Å; P7-L41 HydrophobicContact CB-CD2 3.87Å; P7-F44 HydrophobicContact CG-CE1 4.13Å
8	Q	94.5	Very high	88.3	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-74.3	-36.7	173.9	-152.4	64.1	21.2	0	0	111.1	L5 D6 R11 G12 T289 G292 D293	L5-Q8 WeakPolarHBondContact O-CA 3.47Å; L5-Q8 WeakPolarHBondContact O-CB 3.39Å; L5-Q8 PolarHBondContact O-N 3.38Å; D6-Q8 PolarHBondContact O-N 2.92Å; Q8-R11 WeakPolarHBondContact O-CB 3Å; Q8-R11 PolarHBondContact O-N 2.69Å; Q8-G12 PolarHBondContact O-N 3.23Å; Q8-T289 HydrophobicContact CB-CG2 4.36Å; Q8-T289 VanDerWaalsContact CG-O 3.26Å; Q8-T289 WeakPolarHBondContact CG-O 3.44Å; Q8-G292 PolarHBondContact NE2-O 3.49Å; Q8-G292 WeakPolarHBondContact O-CA 2.85Å; Q8-D293 WeakPolarHBondContact CG-OD1 3.43Å; Q8-D293 PolarHBondContact NE2-OD1 2.66Å
9	G	95.3	Very high	88.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-45	169.3	0	0	0	0	0	113.2	L5 D6 R11 G12 L13 L283	L5-G9 PolarHBondContact O-N 2.88Å; L5-G9 VanDerWaalsContact O-N 3.1Å; D6-G9 WeakPolarHBondContact O-CA 3.35Å; D6-G9 PolarHBondContact O-N 3.01Å; G9-R11 VanDerWaalsContact C-N 3.31Å; G9-R11 PolarHBondContact O-N 3.33Å; G9-G12 WeakPolarHBondContact O-CA 3.23Å; G9-G12 PolarHBondContact O-N 3.12Å; G9-L13 PolarHBondContact O-N 3.31Å; G9-L283 WeakPolarHBondContact CA-O 3.37Å
10	V	95.9	Very high	89.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-38.5	176.1	-177.1	0	0	0	0	111.4	D6 G12 L13 A14 L41 T270 L273 I274 L283	D6-V10 WeakPolarHBondContact O-CG2 3.46Å; D6-V10 PolarHBondContact O-N 3.21Å; V10-G12 VanDerWaalsContact C-N 3.28Å; V10-G12 PolarHBondContact O-N 3.13Å; V10-L13 PolarHBondContact O-N 2.98Å; V10-A14 WeakPolarHBondContact O-CB 3.35Å; V10-A14 PolarHBondContact O-N 3.43Å; V10-L41 HydrophobicContact CB-CD1 4.18Å; V10-L41 HydrophobicContact CB-CD2 4.09Å; V10-L41 HydrophobicContact CG1-CD1 3.78Å; V10-L41 HydrophobicContact CG1-CD2 4.14Å; V10-L41 HydrophobicContact CG1-CG 4.15Å; V10-T270 HydrophobicContact CG1-CG2 4.29Å; V10-L273 HydrophobicContact CG2-CD2 3.72Å; V10-I274 HydrophobicContact CG1-CG1 4.45Å; V10-I274 HydrophobicContact CG2-CG1 4.22Å; V10-L283 HydrophobicContact CG2-CD1 4.15Å; V10-L283 HydrophobicContact CG2-CD2 4.22Å
11	R	96.6	Very high	89.3	Confident	19 Å²	19	40.2 Å²	40.2	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-39.1	170.8	-77.5	174.9	164.3	179	-12.5	112.6	P7 Q8 G9 A14 I15 F38 L41	P7-R11 WeakPolarHBondContact O-CG 3.48Å; P7-R11 PolarHBondContact O-N 2.59Å; Q8-R11 WeakPolarHBondContact O-CB 3Å; Q8-R11 PolarHBondContact O-N 2.69Å; G9-R11 VanDerWaalsContact C-N 3.31Å; G9-R11 PolarHBondContact O-N 3.33Å; R11-A14 PolarHBondContact O-N 3.42Å; R11-I15 PolarHBondContact O-N 2.98Å; R11-F38 HydrophobicContact CB-CE1 4.26Å; R11-F38 HydrophobicContact CG-CD1 4.45Å; R11-F38 HydrophobicContact CG-CE1 4.1Å; R11-L41 HydrophobicContact CB-CD1 4.36Å; R11-L41 HydrophobicContact CG-CD1 3.5Å; R11-L41 HydrophobicContact CG-CG 4.49Å
12	G	97.5	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-46.6	174.2	0	0	0	0	0	111.9	Q8 G9 V10 I15 L16	Q8-G12 PolarHBondContact O-N 3.23Å; G9-G12 WeakPolarHBondContact O-CA 3.23Å; G9-G12 PolarHBondContact O-N 3.12Å; V10-G12 VanDerWaalsContact C-N 3.28Å; V10-G12 PolarHBondContact O-N 3.13Å; G12-I15 VanDerWaalsContact O-CG2 3.27Å; G12-I15 WeakPolarHBondContact O-CG2 3.28Å; G12-L16 VanDerWaalsContact O-CG 3.24Å; G12-L16 WeakPolarHBondContact O-CG 3.39Å; G12-L16 PolarHBondContact O-N 2.64Å; G12-L16 VanDerWaalsContact O-N 3.15Å
13	L	96.9	Very high	93.5	Very high	36 Å²	36	23.6 Å²	23.6	19%	0.188	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-41.1	174.9	-65.9	176.2	0	0	0	112.2	G9 V10 L16 S17 L244 L283 L288	G9-L13 PolarHBondContact O-N 3.31Å; V10-L13 PolarHBondContact O-N 2.98Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-S17 VanDerWaalsContact O-CB 3.28Å; L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 3.23Å; L13-L244 HydrophobicContact CD1-CD1 3.65Å; L13-L283 HydrophobicContact CD1-CD2 3.68Å; L13-L288 HydrophobicContact CD2-CD1 4.04Å; L13-L288 HydrophobicContact CD2-CD2 4.37Å; L13-L288 HydrophobicContact CG-CD1 4.2Å; L13-L288 HydrophobicContact CG-CD2 4.23Å
14	A	98	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-44.2	179.6	0	0	0	0	0	112.5	V10 R11 S17 V18 Q37 F38	V10-A14 WeakPolarHBondContact O-CB 3.35Å; V10-A14 PolarHBondContact O-N 3.43Å; R11-A14 PolarHBondContact O-N 3.42Å; A14-S17 WeakPolarHBondContact O-CB 3.38Å; A14-S17 PolarHBondContact O-N 3.4Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 2.95Å; A14-V18 VanDerWaalsContact O-N 3.08Å; A14-Q37 VanDerWaalsContact CA-OE1 3.28Å; A14-Q37 HydrophobicContact CB-CB 3.84Å; A14-F38 HydrophobicContact CB-CD1 4.35Å; A14-F38 HydrophobicContact CB-CD2 3.95Å; A14-F38 HydrophobicContact CB-CE1 4.05Å; A14-F38 HydrophobicContact CB-CE2 3.62Å; A14-F38 HydrophobicContact CB-CG 4.3Å; A14-F38 HydrophobicContact CB-CZ 3.67Å
15	I	98.1	Very high	94.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.7	-39.3	177.2	-169.8	57.9	0	0	0	112	R11 G12 S17 V18 L19 F38 I291 L298 Y299	R11-I15 PolarHBondContact O-N 2.98Å; G12-I15 VanDerWaalsContact O-CG2 3.27Å; G12-I15 WeakPolarHBondContact O-CG2 3.28Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 3.29Å; I15-V18 PolarHBondContact O-N 3.41Å; I15-L19 HydrophobicContact CD1-CG 4.37Å; I15-L19 HydrophobicContact CG1-CD1 4.13Å; I15-L19 HydrophobicContact CG1-CG 4.29Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.27Å; I15-F38 HydrophobicContact CB-CZ 4.02Å; I15-I291 HydrophobicContact CG2-CG2 3.54Å; I15-L298 HydrophobicContact CD1-CG 4.4Å; I15-L298 HydrophobicContact CG1-CB 4.2Å; I15-L298 HydrophobicContact CG1-CD2 3.9Å; I15-L298 HydrophobicContact CG1-CG 3.98Å; I15-Y299 HydrophobicContact CD1-CD2 4.09Å
16	L	97.6	Very high	94.6	Very high	80 Å²	80	21.3 Å²	21.3	42%	0.419	12%	0.116	S	C	.	.	H	α-helix	trans	-61.9	-38.6	175.8	-70.1	172.6	0	0	0	111.5	G12 L13 L19 G20 L288 I291	G12-L16 VanDerWaalsContact O-CG 3.24Å; G12-L16 WeakPolarHBondContact O-CG 3.39Å; G12-L16 PolarHBondContact O-N 2.64Å; G12-L16 VanDerWaalsContact O-N 3.15Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.03Å; L16-G20 PolarHBondContact O-N 3.1Å; L16-L288 HydrophobicContact CD1-CD1 4.34Å; L16-I291 HydrophobicContact CD1-CD1 4.41Å; L16-I291 HydrophobicContact CD2-CG2 4.46Å; L16-I291 HydrophobicContact CG-CG2 4.25Å
17	S	97	Very high	94.6	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-50	173.9	178.3	0	0	0	0	111.8	L13 A14 I15 L19 G20 F21 G31 G34 L251	L13-S17 VanDerWaalsContact O-CB 3.28Å; L13-S17 WeakPolarHBondContact O-CB 3.29Å; L13-S17 PolarHBondContact O-N 3.23Å; A14-S17 WeakPolarHBondContact O-CB 3.38Å; A14-S17 PolarHBondContact O-N 3.4Å; I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 PolarHBondContact O-N 3.29Å; S17-L19 PolarHBondContact O-N 2.96Å; S17-G20 PolarHBondContact O-N 3.37Å; S17-F21 PolarHBondContact O-N 2.94Å; S17-F21 VanDerWaalsContact O-N 3.08Å; S17-G31 CarbonylContact C-O 3.59Å; S17-G31 VanDerWaalsContact C-O 3.29Å; S17-G31 CarbonylContact O-C 3.53Å; S17-G31 VanDerWaalsContact O-CA 3.22Å; S17-G31 WeakPolarHBondContact O-CA 3.49Å; S17-G31 VanDerWaalsContact OG-CA 3.29Å; S17-G31 WeakPolarHBondContact OG-CA 3.3Å; S17-G31 PolarHBondContact OG-O 2.97Å; S17-G34 PolarHBondContact OG-N 2.92Å; S17-L251 WeakPolarHBondContact OG-CD2 3.34Å
18	V	96.7	Very high	94.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-45.6	177	171.5	0	0	0	0	111.7	A14 I15 G20 F21 H22 G31 V35 F38 Y299	A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 2.95Å; A14-V18 VanDerWaalsContact O-N 3.08Å; I15-V18 PolarHBondContact O-N 3.41Å; V18-G20 PolarHBondContact O-N 2.65Å; V18-F21 PolarHBondContact O-N 2.74Å; V18-H22 VanDerWaalsContact CG1-CE1 3.4Å; V18-H22 WeakPolarHBondContact CG1-CE1 3.45Å; V18-H22 PolarHBondContact O-N 2.75Å; V18-G31 PolarHBondContact N-O 3.27Å; V18-V35 HydrophobicContact CG2-CG2 3.85Å; V18-F38 HydrophobicContact CG2-CE2 4.4Å; V18-Y299 HydrophobicContact CG1-CD2 4.13Å; V18-Y299 HydrophobicContact CG1-CE2 3.92Å
19	L	96.7	Very high	94.5	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-40.9	179.1	-68.3	173.2	0	0	0	111.9	I15 L16 S17 F21 H22 F23 L298 H302 F327	I15-L19 HydrophobicContact CD1-CG 4.37Å; I15-L19 HydrophobicContact CG1-CD1 4.13Å; I15-L19 HydrophobicContact CG1-CG 4.29Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.36Å; I15-L19 PolarHBondContact O-N 3.27Å; L16-L19 PolarHBondContact O-N 3.03Å; S17-L19 PolarHBondContact O-N 2.96Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 3.01Å; L19-H22 PolarHBondContact O-N 3.38Å; L19-F23 HydrophobicContact CB-CD2 4.5Å; L19-F23 HydrophobicContact CD2-CD2 4.19Å; L19-F23 HydrophobicContact CD2-CE2 3.86Å; L19-F23 WeakPolarHBondContact O-CB 3.35Å; L19-F23 WeakPolarHBondContact O-CD2 3.39Å; L19-F23 PolarHBondContact O-N 3.39Å; L19-L298 HydrophobicContact CD1-CD1 4.42Å; L19-L298 HydrophobicContact CD1-CD2 3.67Å; L19-L298 HydrophobicContact CD1-CG 3.99Å; L19-H302 HydrophobicContact CD2-CB 3.81Å; L19-F327 HydrophobicContact CD1-CE2 4.27Å
20	G	95	Very high	94.5	Very high	12 Å²	12	27.4 Å²	27.4	12%	0.124	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-46.7	174	0	0	0	0	0	111.3	L16 S17 V18 L24	L16-G20 PolarHBondContact O-N 3.1Å; S17-G20 PolarHBondContact O-N 3.37Å; V18-G20 PolarHBondContact O-N 2.65Å; G20-L24 CarbonylContact O-C 2.96Å; G20-L24 VanDerWaalsContact O-CA 3.31Å; G20-L24 WeakPolarHBondContact O-CA 3.36Å; G20-L24 PolarHBondContact O-N 3.31Å
21	F	93.1	Very high	94.4	Very high	19 Å²	19	27.5 Å²	27.5	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-39.6	177.9	172.7	-122.3	0	0	0	113.6	S17 V18 L19 P25 F28 G31 F127 L130	S17-F21 PolarHBondContact O-N 2.94Å; S17-F21 VanDerWaalsContact O-N 3.08Å; V18-F21 PolarHBondContact O-N 2.74Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 3.01Å; F21-P25 VanDerWaalsContact O-CA 3.28Å; F21-P25 WeakPolarHBondContact O-CA 3.31Å; F21-P25 WeakPolarHBondContact O-CB 3.5Å; F21-F28 WeakPolarHBondContact CA-O 3.21Å; F21-G31 VanDerWaalsContact CB-C 3.49Å; F21-F127 HydrophobicContact CZ-CD1 4.02Å; F21-F127 AromaticContact CZ-CE1 3.88Å; F21-F127 HydrophobicContact CZ-CE1 3.88Å; F21-L130 HydrophobicContact CD1-CD2 3.93Å; F21-L130 HydrophobicContact CE1-CD2 3.03Å; F21-L130 HydrophobicContact CZ-CD2 3.45Å; F21-L130 VanDerWaalsContact CZ-CD2 3.45Å
22	H	92.7	Very high	94.3	Very high	6 Å²	6	27 Å²	27	3%	0.028	15%	0.148	C	C	.	.	H	α-helix	trans	-76.1	-45.1	-178.9	-65.7	168.6	0	0	0	112.8	V18 L19 H302 W303 Y306	V18-H22 VanDerWaalsContact CG1-CE1 3.4Å; V18-H22 WeakPolarHBondContact CG1-CE1 3.45Å; V18-H22 PolarHBondContact O-N 2.75Å; L19-H22 PolarHBondContact O-N 3.38Å; H22-H302 AromaticContact CE1-NE2 3.56Å; H22-H302 AromaticContact CG-NE2 3.97Å; H22-H302 AromaticContact ND1-CD2 3.7Å; H22-H302 AromaticContact ND1-CE1 3.89Å; H22-H302 AromaticContact ND1-NE2 2.84Å; H22-H302 PolarHBondContact ND1-NE2 3.31Å; H22-W303 HydrophobicContact CB-CE3 4.42Å; H22-W303 HydrophobicContact CB-CZ3 4.13Å; H22-W303 AromaticContact CD2-CZ3 3.71Å; H22-W303 AromaticContact CE1-CE3 3.65Å; H22-W303 AromaticContact CE1-CZ3 3.88Å; H22-W303 AromaticContact CG-CE3 3.85Å; H22-W303 AromaticContact CG-CZ3 3.64Å; H22-W303 AromaticContact ND1-CE3 3.48Å; H22-W303 AromaticContact ND1-CZ3 3.75Å; H22-W303 AromaticContact NE2-CZ3 3.9Å; H22-Y306 WeakPolarHBondContact O-CE2 3.04Å; H22-Y306 PolarHBondContact O-OH 3.4Å
23	F	93.4	Very high	94.2	Very high	12 Å²	12	27 Å²	27	5%	0.053	15%	0.148	C	C	.	.	H	α-helix	trans	-84.1	-28.3	-176.5	-77.1	-97.3	0	0	0	113.2	L19 H302 Y306 L323 I326 F327	L19-F23 HydrophobicContact CB-CD2 4.5Å; L19-F23 HydrophobicContact CD2-CD2 4.19Å; L19-F23 HydrophobicContact CD2-CE2 3.86Å; L19-F23 WeakPolarHBondContact O-CB 3.35Å; L19-F23 WeakPolarHBondContact O-CD2 3.39Å; L19-F23 PolarHBondContact O-N 3.39Å; F23-H302 HydrophobicContact CE2-CB 4.24Å; F23-Y306 HydrophobicContact CD1-CD2 4.28Å; F23-Y306 HydrophobicContact CE1-CD2 4.26Å; F23-Y306 HydrophobicContact CG-CD2 4.47Å; F23-Y306 HydrophobicContact CZ-CD2 4.48Å; F23-L323 HydrophobicContact CD1-CD1 3.5Å; F23-L323 VanDerWaalsContact CD1-CD1 3.5Å; F23-L323 HydrophobicContact CD1-CG 4.16Å; F23-L323 HydrophobicContact CE1-CD1 4.03Å; F23-L323 HydrophobicContact CG-CD1 4.46Å; F23-I326 HydrophobicContact CE1-CG2 4.19Å; F23-F327 HydrophobicContact CD1-CB 3.84Å; F23-F327 HydrophobicContact CD1-CD2 4.04Å; F23-F327 HydrophobicContact CD1-CG 4.4Å; F23-F327 HydrophobicContact CD2-CD2 4.09Å; F23-F327 HydrophobicContact CE1-CB 3.54Å; F23-F327 HydrophobicContact CE1-CD2 4.04Å; F23-F327 HydrophobicContact CE1-CG 4.31Å; F23-F327 HydrophobicContact CE2-CD2 4.07Å; F23-F327 HydrophobicContact CG-CD2 4.08Å; F23-F327 HydrophobicContact CZ-CB 4.16Å; F23-F327 HydrophobicContact CZ-CD2 4.06Å
24	L	91.4	Very high	94.2	Very high	55 Å²	55	25.2 Å²	25.2	29%	0.288	14%	0.139	S	C	.	.			trans	-138.8	60.8	-175.9	-63.3	171.2	0	0	0	110.6	G20 D26 V27 F28 M319	G20-L24 CarbonylContact O-C 2.96Å; G20-L24 VanDerWaalsContact O-CA 3.31Å; G20-L24 WeakPolarHBondContact O-CA 3.36Å; G20-L24 PolarHBondContact O-N 3.31Å; L24-D26 PolarHBondContact O-N 2.8Å; L24-V27 HydrophobicContact CB-CB 4.1Å; L24-V27 HydrophobicContact CB-CG2 4.26Å; L24-V27 PolarHBondContact O-N 2.91Å; L24-F28 HydrophobicContact CB-CD2 3.96Å; L24-F28 HydrophobicContact CB-CE2 4.36Å; L24-F28 HydrophobicContact CD1-CD2 4.39Å; L24-F28 HydrophobicContact CD1-CE2 3.97Å; L24-F28 PolarHBondContact O-N 2.7Å; L24-M319 HydrophobicContact CD2-CE 3.8Å; L24-M319 HydrophobicContact CD2-CG 4.44Å; L24-M319 HydrophobicContact CD2-SD 4.09Å
25	P	88.7	Confident	94.1	Very high	52 Å²	52	25.7 Å²	25.7	34%	0.338	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.4	-174.5	22.8	-33.7	0	0	0	113.7	F21 V27 P29	F21-P25 VanDerWaalsContact O-CA 3.28Å; F21-P25 WeakPolarHBondContact O-CA 3.31Å; F21-P25 WeakPolarHBondContact O-CB 3.5Å; P25-V27 VanDerWaalsContact C-N 3.31Å; P25-P29 WeakPolarHBondContact O-CA 3.26Å; P25-P29 WeakPolarHBondContact O-CB 3.48Å; P25-P29 WeakPolarHBondContact O-CD 3.1Å; P25-P29 VanDerWaalsContact O-N 3.12Å
26	D	87.7	Confident	94	Very high	118 Å²	118	25.7 Å²	25.7	63%	0.631	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.8	178.4	-59.2	-34.1	0	0	0	112.5	L24	L24-D26 PolarHBondContact O-N 2.8Å
27	V	91.1	Very high	94	Very high	71 Å²	71	22 Å²	22	43%	0.43	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-38.9	179.6	-175	0	0	0	0	111.1	L24 P25 P29	L24-V27 HydrophobicContact CB-CB 4.1Å; L24-V27 HydrophobicContact CB-CG2 4.26Å; L24-V27 PolarHBondContact O-N 2.91Å; P25-V27 VanDerWaalsContact C-N 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å
28	F	93.5	Very high	94.1	Very high	63 Å²	63	22.8 Å²	22.8	28%	0.276	13%	0.125	S	C	.	.			trans	-122.1	58.7	-179	-55.7	-76.2	0	0	0	111.9	F21 L24 N30 G31 I252	F21-F28 WeakPolarHBondContact CA-O 3.21Å; L24-F28 HydrophobicContact CB-CD2 3.96Å; L24-F28 HydrophobicContact CB-CE2 4.36Å; L24-F28 HydrophobicContact CD1-CD2 4.39Å; L24-F28 HydrophobicContact CD1-CE2 3.97Å; L24-F28 PolarHBondContact O-N 2.7Å; F28-N30 PolarHBondContact O-N 3.14Å; F28-G31 PolarHBondContact O-N 2.87Å; F28-I252 HydrophobicContact CE1-CB 4.49Å; F28-I252 HydrophobicContact CE1-CG2 4.08Å
29	P	92.5	Very high	94.1	Very high	15 Å²	15	22.8 Å²	22.8	10%	0.097	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.2	-175.8	26.2	-35.3	0	0	0	113.2	P25 V27 Y32 K256	P25-P29 WeakPolarHBondContact O-CA 3.26Å; P25-P29 WeakPolarHBondContact O-CB 3.48Å; P25-P29 WeakPolarHBondContact O-CD 3.1Å; P25-P29 VanDerWaalsContact O-N 3.12Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-Y32 VanDerWaalsContact O-CD1 3.28Å; P29-Y32 WeakPolarHBondContact O-CD1 3.34Å; P29-K256 HydrophobicContact CB-CB 4.06Å
30	N	94.4	Very high	94.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.2	179.2	-60.4	-61.2	0	0	0	113.4	F28 Y32 L33 V250 Y253 I255 L257	F28-N30 PolarHBondContact O-N 3.14Å; N30-Y32 PolarHBondContact O-N 3.19Å; N30-L33 HydrophobicContact CB-CD1 4.23Å; N30-L33 WeakPolarHBondContact O-CB 3.4Å; N30-L33 WeakPolarHBondContact O-CD1 3.33Å; N30-L33 VanDerWaalsContact O-CG 3.27Å; N30-L33 WeakPolarHBondContact O-CG 3.35Å; N30-L33 PolarHBondContact O-N 3.09Å; N30-V250 WeakPolarHBondContact CB-O 3.31Å; N30-V250 PolarHBondContact ND2-O 3.24Å; N30-Y253 PolarHBondContact ND2-O 3.02Å; N30-Y253 VanDerWaalsContact ND2-O 3.09Å; N30-I255 PolarHBondContact ND2-O 3.27Å; N30-L257 WeakPolarHBondContact OD1-CB 3.46Å; N30-L257 PolarHBondContact OD1-N 2.98Å
31	G	94.7	Very high	94.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.01	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.9	-178.5	0	0	0	0	0	114.8	S17 V18 F21 F28 L33 G34	S17-G31 CarbonylContact C-O 3.59Å; S17-G31 VanDerWaalsContact C-O 3.29Å; S17-G31 CarbonylContact O-C 3.53Å; S17-G31 VanDerWaalsContact O-CA 3.22Å; S17-G31 WeakPolarHBondContact O-CA 3.49Å; S17-G31 VanDerWaalsContact OG-CA 3.29Å; S17-G31 WeakPolarHBondContact OG-CA 3.3Å; S17-G31 PolarHBondContact OG-O 2.97Å; V18-G31 PolarHBondContact N-O 3.27Å; F21-G31 VanDerWaalsContact CB-C 3.49Å; F28-G31 PolarHBondContact O-N 2.87Å; G31-L33 PolarHBondContact O-N 3.29Å; G31-L33 VanDerWaalsContact O-N 3.12Å; G31-G34 PolarHBondContact O-N 3.16Å
32	Y	92.6	Very high	94.5	Very high	8 Å²	8	21 Å²	21	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	169.6	71	-94.1	0	0	0	112.8	P29 N30 G34 V35 F127 A259 I262	P29-Y32 VanDerWaalsContact O-CD1 3.28Å; P29-Y32 WeakPolarHBondContact O-CD1 3.34Å; N30-Y32 PolarHBondContact O-N 3.19Å; Y32-G34 PolarHBondContact O-N 3.4Å; Y32-V35 PolarHBondContact O-N 3.27Å; Y32-V35 VanDerWaalsContact O-N 3.17Å; Y32-F127 HydrophobicContact CD1-CE1 4.46Å; Y32-A259 WeakPolarHBondContact OH-CA 3.4Å; Y32-I262 VanDerWaalsContact OH-CG2 3.3Å; Y32-I262 WeakPolarHBondContact OH-CG2 3.23Å
33	L	96.2	Very high	94.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-18.1	177	-65.4	172.3	0	0	0	112.7	N30 G31 V35 D36 Q37 V250 L251 I262 R263 F266	N30-L33 HydrophobicContact CB-CD1 4.23Å; N30-L33 WeakPolarHBondContact O-CB 3.4Å; N30-L33 WeakPolarHBondContact O-CD1 3.33Å; N30-L33 VanDerWaalsContact O-CG 3.27Å; N30-L33 WeakPolarHBondContact O-CG 3.35Å; N30-L33 PolarHBondContact O-N 3.09Å; G31-L33 PolarHBondContact O-N 3.29Å; G31-L33 VanDerWaalsContact O-N 3.12Å; L33-V35 PolarHBondContact O-N 3.25Å; L33-D36 WeakPolarHBondContact CD2-OD2 3.45Å; L33-D36 WeakPolarHBondContact O-CB 3.49Å; L33-D36 PolarHBondContact O-N 3.39Å; L33-Q37 PolarHBondContact O-N 3.3Å; L33-V250 HydrophobicContact CD1-CG1 3.71Å; L33-L251 HydrophobicContact CB-CD2 4.29Å; L33-I262 HydrophobicContact CD1-CG1 4.02Å; L33-I262 HydrophobicContact CD1-CG2 4.39Å; L33-I262 HydrophobicContact CD2-CG2 4.37Å; L33-R263 HydrophobicContact CD2-CB 4.1Å; L33-F266 HydrophobicContact CB-CD1 3.58Å; L33-F266 HydrophobicContact CB-CE1 3.57Å; L33-F266 HydrophobicContact CB-CG 4.12Å; L33-F266 HydrophobicContact CB-CZ 4.17Å; L33-F266 HydrophobicContact CD1-CB 4.19Å; L33-F266 HydrophobicContact CD1-CD1 4.25Å; L33-F266 HydrophobicContact CD1-CD2 3.98Å; L33-F266 HydrophobicContact CD1-CE2 4.37Å; L33-F266 HydrophobicContact CD1-CG 3.91Å; L33-F266 HydrophobicContact CD2-CB 4.28Å; L33-F266 HydrophobicContact CD2-CD1 4.45Å; L33-F266 HydrophobicContact CD2-CG 4.48Å; L33-F266 HydrophobicContact CG-CD1 4.32Å; L33-F266 HydrophobicContact CG-CG 4.41Å
34	G	96.7	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.6	-33.3	171.9	0	0	0	0	0	113.1	S17 G31 Y32 D36 Q37 F38	S17-G34 PolarHBondContact OG-N 2.92Å; G31-G34 PolarHBondContact O-N 3.16Å; Y32-G34 PolarHBondContact O-N 3.4Å; G34-D36 VanDerWaalsContact C-N 3.32Å; G34-D36 PolarHBondContact O-N 3.35Å; G34-Q37 WeakPolarHBondContact O-CB 3.4Å; G34-Q37 PolarHBondContact O-N 3.16Å; G34-F38 VanDerWaalsContact O-CD2 3.23Å; G34-F38 WeakPolarHBondContact O-CD2 3.38Å; G34-F38 PolarHBondContact O-N 3.11Å; G34-F38 VanDerWaalsContact O-N 3.15Å
35	V	96.3	Very high	95	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.055	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-38.2	174.2	-176.4	0	0	0	0	111.5	V18 Y32 L33 Q37 F38 F39 W141	V18-V35 HydrophobicContact CG2-CG2 3.85Å; Y32-V35 PolarHBondContact O-N 3.27Å; Y32-V35 VanDerWaalsContact O-N 3.17Å; L33-V35 PolarHBondContact O-N 3.25Å; V35-Q37 VanDerWaalsContact C-N 3.26Å; V35-Q37 PolarHBondContact O-N 2.82Å; V35-F38 WeakPolarHBondContact O-CB 3.16Å; V35-F38 PolarHBondContact O-N 3.07Å; V35-F38 VanDerWaalsContact O-N 3.13Å; V35-F39 HydrophobicContact CG1-CE1 4.26Å; V35-F39 HydrophobicContact CG1-CE2 4.2Å; V35-F39 HydrophobicContact CG1-CZ 3.94Å; V35-F39 PolarHBondContact O-N 3.33Å; V35-F39 VanDerWaalsContact O-N 3.14Å; V35-W141 HydrophobicContact CG1-CH2 3.7Å; V35-W141 HydrophobicContact CG1-CZ2 3.85Å; V35-W141 HydrophobicContact CG2-CZ2 4.49Å
36	D	96.7	Very high	95.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-34.7	177.2	-59.3	-43.6	0	0	0	110.9	L33 G34 F39 V40 R200 Q203 R263	L33-D36 WeakPolarHBondContact CD2-OD2 3.45Å; L33-D36 WeakPolarHBondContact O-CB 3.49Å; L33-D36 PolarHBondContact O-N 3.39Å; G34-D36 VanDerWaalsContact C-N 3.32Å; G34-D36 PolarHBondContact O-N 3.35Å; D36-F39 PolarHBondContact O-N 2.96Å; D36-V40 WeakPolarHBondContact O-CG2 3.25Å; D36-V40 PolarHBondContact O-N 3.32Å; D36-V40 VanDerWaalsContact O-N 3.17Å; D36-R200 IonicContact OD1-CZ 3.25Å; D36-R200 IonicContact OD1-NH1 2.74Å; D36-R200 PolarHBondContact OD1-NH1 3.5Å; D36-Q203 VanDerWaalsContact CB-NE2 3.3Å; D36-Q203 PolarHBondContact OD1-NE2 3.33Å; D36-R263 IonicContact OD1-CZ 3.08Å; D36-R263 IonicContact OD1-NE 3.81Å; D36-R263 PolarHBondContact OD1-NE 3.33Å; D36-R263 WeakPolarHBondContact OD2-CG 3.43Å; D36-R263 IonicContact OD2-CZ 3.29Å; D36-R263 IonicContact OD2-NE 3.36Å; D36-R263 PolarHBondContact OD2-NE 3.09Å; D36-R263 IonicContact OD2-NH2 3.11Å
37	Q	97.4	Very high	95.6	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-65.1	-40.8	172.9	-55.9	-177.1	-70.4	0	0	112.1	A14 L33 G34 V35 F39 V40 L41 F266 T270	A14-Q37 VanDerWaalsContact CA-OE1 3.28Å; A14-Q37 HydrophobicContact CB-CB 3.84Å; L33-Q37 PolarHBondContact O-N 3.3Å; G34-Q37 WeakPolarHBondContact O-CB 3.4Å; G34-Q37 PolarHBondContact O-N 3.16Å; V35-Q37 VanDerWaalsContact C-N 3.26Å; V35-Q37 PolarHBondContact O-N 2.82Å; Q37-F39 VanDerWaalsContact C-N 3.29Å; Q37-F39 PolarHBondContact O-N 2.69Å; Q37-V40 PolarHBondContact O-N 3.06Å; Q37-L41 WeakPolarHBondContact O-CB 3.38Å; Q37-L41 WeakPolarHBondContact O-CD1 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 3.33Å; Q37-L41 PolarHBondContact O-N 2.97Å; Q37-F266 VanDerWaalsContact CD-CE1 3.45Å; Q37-F266 HydrophobicContact CG-CD1 4.1Å; Q37-F266 HydrophobicContact CG-CE1 3.44Å; Q37-F266 VanDerWaalsContact CG-CE1 3.44Å; Q37-F266 HydrophobicContact CG-CZ 4.35Å; Q37-T270 HydrophobicContact CB-CG2 4.02Å; Q37-T270 HydrophobicContact CG-CG2 4.04Å
38	F	98	Very high	95.6	Very high	27 Å²	27	10.4 Å²	10.4	12%	0.118	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-41.6	175.1	-77.1	-63	0	0	0	111.5	R11 A14 I15 V18 G34 V35 L41 S42	R11-F38 HydrophobicContact CB-CE1 4.26Å; R11-F38 HydrophobicContact CG-CD1 4.45Å; R11-F38 HydrophobicContact CG-CE1 4.1Å; A14-F38 HydrophobicContact CB-CD1 4.35Å; A14-F38 HydrophobicContact CB-CD2 3.95Å; A14-F38 HydrophobicContact CB-CE1 4.05Å; A14-F38 HydrophobicContact CB-CE2 3.62Å; A14-F38 HydrophobicContact CB-CG 4.3Å; A14-F38 HydrophobicContact CB-CZ 3.67Å; I15-F38 HydrophobicContact CB-CZ 4.02Å; V18-F38 HydrophobicContact CG2-CE2 4.4Å; G34-F38 VanDerWaalsContact O-CD2 3.23Å; G34-F38 WeakPolarHBondContact O-CD2 3.38Å; G34-F38 PolarHBondContact O-N 3.11Å; G34-F38 VanDerWaalsContact O-N 3.15Å; V35-F38 WeakPolarHBondContact O-CB 3.16Å; V35-F38 PolarHBondContact O-N 3.07Å; V35-F38 VanDerWaalsContact O-N 3.13Å; F38-L41 PolarHBondContact O-N 2.93Å; F38-S42 VanDerWaalsContact O-CB 3.28Å; F38-S42 WeakPolarHBondContact O-CB 3.04Å; F38-S42 PolarHBondContact O-N 3.12Å; F38-S42 PolarHBondContact O-OG 3.43Å
39	F	98.2	Very high	95.4	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-65	-41.7	177	-65.3	-17.6	0	0	0	113.1	V35 D36 Q37 S42 G43 W141 S142 V145 E146 R200 Q203 F204	V35-F39 HydrophobicContact CG1-CE1 4.26Å; V35-F39 HydrophobicContact CG1-CE2 4.2Å; V35-F39 HydrophobicContact CG1-CZ 3.94Å; V35-F39 PolarHBondContact O-N 3.33Å; V35-F39 VanDerWaalsContact O-N 3.14Å; D36-F39 PolarHBondContact O-N 2.96Å; Q37-F39 VanDerWaalsContact C-N 3.29Å; Q37-F39 PolarHBondContact O-N 2.69Å; F39-S42 PolarHBondContact O-N 3.23Å; F39-G43 PolarHBondContact O-N 3.03Å; F39-W141 HydrophobicContact CE2-CH2 4.31Å; F39-W141 HydrophobicContact CE2-CZ3 4.19Å; F39-W141 HydrophobicContact CZ-CH2 4.2Å; F39-W141 AromaticContact CZ-CZ3 3.95Å; F39-W141 HydrophobicContact CZ-CZ3 3.95Å; F39-S142 WeakPolarHBondContact CE1-O 3.48Å; F39-V145 HydrophobicContact CE1-CB 4.45Å; F39-V145 HydrophobicContact CE1-CG1 4.24Å; F39-V145 HydrophobicContact CE2-CG1 4.16Å; F39-V145 HydrophobicContact CZ-CB 4Å; F39-V145 HydrophobicContact CZ-CG1 3.78Å; F39-E146 HydrophobicContact CE1-CB 4.41Å; F39-R200 HydrophobicContact CE2-CB 4.41Å; F39-R200 HydrophobicContact CE2-CG 4.36Å; F39-Q203 HydrophobicContact CB-CB 3.95Å; F39-Q203 VanDerWaalsContact CD2-OE1 3.31Å; F39-F204 HydrophobicContact CB-CD1 4.3Å; F39-F204 HydrophobicContact CB-CD2 4.22Å; F39-F204 HydrophobicContact CB-CE1 3.97Å; F39-F204 HydrophobicContact CB-CE2 3.89Å; F39-F204 HydrophobicContact CB-CG 4.43Å; F39-F204 HydrophobicContact CB-CZ 3.76Å; F39-F204 AromaticContact CD1-CE1 3.87Å; F39-F204 HydrophobicContact CD1-CE1 3.87Å; F39-F204 HydrophobicContact CD1-CE2 4.03Å; F39-F204 AromaticContact CD1-CZ 3.32Å; F39-F204 HydrophobicContact CD1-CZ 3.32Å; F39-F204 HydrophobicContact CD2-CE2 4.08Å; F39-F204 HydrophobicContact CD2-CZ 4.2Å; F39-F204 AromaticContact CE1-CZ 3.89Å; F39-F204 HydrophobicContact CE1-CZ 3.89Å; F39-F204 HydrophobicContact CG-CE1 4.12Å; F39-F204 AromaticContact CG-CE2 3.75Å; F39-F204 HydrophobicContact CG-CE2 3.75Å; F39-F204 AromaticContact CG-CZ 3.5Å; F39-F204 HydrophobicContact CG-CZ 3.5Å; F39-F204 VanDerWaalsContact CG-CZ 3.5Å; F39-F204 VanDerWaalsContact O-CD1 3.23Å; F39-F204 WeakPolarHBondContact O-CD1 3.46Å
40	V	98.5	Very high	95.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.1	-46.6	173.3	179.6	0	0	0	0	110.7	D36 Q37 S42 G43 F44 I206 G207 T267 T270 I274	D36-V40 WeakPolarHBondContact O-CG2 3.25Å; D36-V40 PolarHBondContact O-N 3.32Å; D36-V40 VanDerWaalsContact O-N 3.17Å; Q37-V40 PolarHBondContact O-N 3.06Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.14Å; V40-G43 PolarHBondContact O-N 2.66Å; V40-F44 PolarHBondContact O-N 2.72Å; V40-I206 HydrophobicContact CG1-CG2 4.26Å; V40-G207 WeakPolarHBondContact O-CA 3.47Å; V40-T267 HydrophobicContact CG2-CG2 3.38Å; V40-T270 HydrophobicContact CB-CG2 4.01Å; V40-T270 HydrophobicContact CG1-CG2 4.03Å; V40-T270 HydrophobicContact CG2-CG2 4.37Å; V40-I274 HydrophobicContact CG1-CD1 3.89Å
41	L	97.2	Very high	95	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61	-40.7	177.2	-77.5	161.8	0	0	0	112.1	P7 V10 R11 Q37 F38 F44 L45 I274	P7-L41 HydrophobicContact CB-CD2 3.87Å; V10-L41 HydrophobicContact CB-CD1 4.18Å; V10-L41 HydrophobicContact CB-CD2 4.09Å; V10-L41 HydrophobicContact CG1-CD1 3.78Å; V10-L41 HydrophobicContact CG1-CD2 4.14Å; V10-L41 HydrophobicContact CG1-CG 4.15Å; R11-L41 HydrophobicContact CB-CD1 4.36Å; R11-L41 HydrophobicContact CG-CD1 3.5Å; R11-L41 HydrophobicContact CG-CG 4.49Å; Q37-L41 WeakPolarHBondContact O-CB 3.38Å; Q37-L41 WeakPolarHBondContact O-CD1 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 3.33Å; Q37-L41 PolarHBondContact O-N 2.97Å; F38-L41 PolarHBondContact O-N 2.93Å; L41-F44 PolarHBondContact O-N 3.39Å; L41-L45 WeakPolarHBondContact O-CB 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.74Å; L41-I274 HydrophobicContact CD2-CD1 3.59Å; L41-I274 HydrophobicContact CD2-CG1 4.23Å; L41-I274 HydrophobicContact CG-CD1 3.92Å
42	S	96.9	Very high	94.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-46.1	177.5	-71.3	0	0	0	0	110.6	F38 F39 V40 F44 L45 M46 E146 Y150	F38-S42 VanDerWaalsContact O-CB 3.28Å; F38-S42 WeakPolarHBondContact O-CB 3.04Å; F38-S42 PolarHBondContact O-N 3.12Å; F38-S42 PolarHBondContact O-OG 3.43Å; F39-S42 PolarHBondContact O-N 3.23Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.14Å; S42-F44 PolarHBondContact O-N 3.15Å; S42-L45 PolarHBondContact O-N 3.37Å; S42-M46 WeakPolarHBondContact O-CB 3.3Å; S42-M46 WeakPolarHBondContact O-CG 3.46Å; S42-M46 PolarHBondContact O-N 3.42Å; S42-E146 PolarHBondContact OG-OE1 3.14Å; S42-E146 PolarHBondContact OG-OE2 2.93Å; S42-Y150 WeakPolarHBondContact CB-OH 3.18Å; S42-Y150 PolarHBondContact OG-OH 3.36Å; S42-Y150 VanDerWaalsContact OG-OH 3.11Å
43	G	97.7	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-48.1	172.1	0	0	0	0	0	113.5	F39 V40 M46 C47 F204 I208	F39-G43 PolarHBondContact O-N 3.03Å; V40-G43 PolarHBondContact O-N 2.66Å; G43-M46 PolarHBondContact O-N 3.35Å; G43-C47 WeakPolarHBondContact O-CB 3.42Å; G43-C47 PolarHBondContact O-N 3.43Å; G43-F204 WeakPolarHBondContact CA-O 3.34Å; G43-I208 WeakPolarHBondContact O-CG1 3.45Å
44	F	96	Very high	93	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-59.2	-49.6	178.3	178.1	-88.5	0	0	0	112.2	P7 V40 L41 S42 C47 M48 G207 A210 N211 I274	P7-F44 HydrophobicContact CG-CE1 4.13Å; V40-F44 PolarHBondContact O-N 2.72Å; L41-F44 PolarHBondContact O-N 3.39Å; S42-F44 PolarHBondContact O-N 3.15Å; F44-C47 PolarHBondContact O-N 2.91Å; F44-M48 PolarHBondContact O-N 3.06Å; F44-G207 WeakPolarHBondContact CA-O 3.49Å; F44-G207 WeakPolarHBondContact CB-O 3.36Å; F44-A210 HydrophobicContact CD2-CB 4.19Å; F44-N211 HydrophobicContact CD2-CB 3.54Å; F44-N211 VanDerWaalsContact CE2-CA 3.44Å; F44-N211 HydrophobicContact CE2-CB 3.76Å; F44-N211 HydrophobicContact CG-CB 4.14Å; F44-N211 WeakPolarHBondContact CZ-ND2 3.38Å; F44-I274 HydrophobicContact CD1-CG2 4.1Å; F44-I274 HydrophobicContact CD2-CG2 3.47Å; F44-I274 VanDerWaalsContact CD2-CG2 3.47Å; F44-I274 HydrophobicContact CE1-CG2 4.18Å; F44-I274 HydrophobicContact CE2-CG2 3.54Å; F44-I274 HydrophobicContact CG-CG2 3.79Å; F44-I274 HydrophobicContact CZ-CG2 3.93Å
45	L	94.3	Very high	91.8	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	14%	0.136	C	C	.	.	H	α-helix	trans	-71.6	-35.5	-176.9	-67.3	171.6	0	0	0	112.3	L41 S42 M48 L49	L41-L45 WeakPolarHBondContact O-CB 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.74Å; S42-L45 PolarHBondContact O-N 3.37Å; L45-M48 HydrophobicContact CD2-CE 3.55Å; L45-M48 PolarHBondContact O-N 3.03Å; L45-L49 WeakPolarHBondContact O-CB 3.48Å; L45-L49 VanDerWaalsContact O-CD1 3.3Å; L45-L49 WeakPolarHBondContact O-CD1 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.92Å
46	M	94.6	Very high	90.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-43.8	174.6	-69.6	-32.8	105.4	0	0	111.3	S42 G43 M48 L49 L50 F69 R73 F149 Y150	S42-M46 WeakPolarHBondContact O-CB 3.3Å; S42-M46 WeakPolarHBondContact O-CG 3.46Å; S42-M46 PolarHBondContact O-N 3.42Å; G43-M46 PolarHBondContact O-N 3.35Å; M46-M48 VanDerWaalsContact C-N 3.35Å; M46-M48 PolarHBondContact O-N 3.44Å; M46-L49 HydrophobicContact CE-CD1 4.33Å; M46-L49 PolarHBondContact O-N 2.9Å; M46-L49 HydrophobicContact SD-CD1 4.27Å; M46-L50 WeakPolarHBondContact O-CB 3.32Å; M46-L50 VanDerWaalsContact O-CG 3.28Å; M46-L50 WeakPolarHBondContact O-CG 3.38Å; M46-L50 PolarHBondContact O-N 2.96Å; M46-F69 HydrophobicContact CG-CZ 4.19Å; M46-F69 HydrophobicContact SD-CE2 3.98Å; M46-F69 HydrophobicContact SD-CZ 3.77Å; M46-R73 VanDerWaalsContact CE-NH1 3.31Å; M46-R73 WeakPolarHBondContact SD-CD 3.49Å; M46-R73 HydrophobicContact SD-CG 4.39Å; M46-F149 HydrophobicContact CG-CE1 4.36Å; M46-Y150 HydrophobicContact CE-CE1 3.67Å; M46-Y150 VanDerWaalsContact CE-OH 3.27Å; M46-Y150 WeakPolarHBondContact CE-OH 3.21Å; M46-Y150 HydrophobicContact CG-CD1 3.58Å; M46-Y150 HydrophobicContact CG-CE1 3.26Å; M46-Y150 HydrophobicContact SD-CD1 3.86Å; M46-Y150 HydrophobicContact SD-CE1 3.51Å; M46-Y150 VanDerWaalsContact SD-CE1 3.51Å
47	C	94.4	Very high	89	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-47.8	175	-172.1	0	0	0	0	111.3	G43 F44 L49 L50 R51 I208 N211	G43-C47 WeakPolarHBondContact O-CB 3.42Å; G43-C47 PolarHBondContact O-N 3.43Å; F44-C47 PolarHBondContact O-N 2.91Å; C47-L49 VanDerWaalsContact C-N 3.28Å; C47-L49 PolarHBondContact O-N 3.47Å; C47-L50 PolarHBondContact O-N 2.87Å; C47-R51 WeakPolarHBondContact O-CB 3.35Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.46Å; C47-R51 PolarHBondContact O-N 2.83Å; C47-I208 HydrophobicContact CB-CB 4.28Å; C47-I208 HydrophobicContact CB-CG1 4.13Å; C47-I208 HydrophobicContact CB-CG2 4.08Å; C47-N211 HydrophobicContact CB-CB 3.82Å; C47-N211 PolarHBondContact SG-OD1 3.31Å
48	M	90.5	Very high	87.9	Confident	68 Å²	68	38.9 Å²	38.9	34%	0.335	22%	0.224	S	C	.	.	H	α-helix	trans	-55.4	-43.8	176.8	-172.2	-179.9	62	0	0	112	F44 L45 M46 K52 N211	F44-M48 PolarHBondContact O-N 3.06Å; L45-M48 HydrophobicContact CD2-CE 3.55Å; L45-M48 PolarHBondContact O-N 3.03Å; M46-M48 VanDerWaalsContact C-N 3.35Å; M46-M48 PolarHBondContact O-N 3.44Å; M48-K52 VanDerWaalsContact O-CB 3.31Å; M48-K52 WeakPolarHBondContact O-CB 3.18Å; M48-K52 PolarHBondContact O-N 3.2Å; M48-N211 WeakPolarHBondContact CB-ND2 3.4Å
49	L	89.9	Confident	87.1	Confident	33 Å²	33	40.7 Å²	40.7	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-70.8	-41.9	-179.5	-73.3	162.9	0	0	0	113.1	L45 M46 C47 S53	L45-L49 WeakPolarHBondContact O-CB 3.48Å; L45-L49 VanDerWaalsContact O-CD1 3.3Å; L45-L49 WeakPolarHBondContact O-CD1 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.92Å; M46-L49 HydrophobicContact CE-CD1 4.33Å; M46-L49 PolarHBondContact O-N 2.9Å; M46-L49 HydrophobicContact SD-CD1 4.27Å; C47-L49 VanDerWaalsContact C-N 3.28Å; C47-L49 PolarHBondContact O-N 3.47Å; L49-S53 VanDerWaalsContact O-CB 3.28Å; L49-S53 WeakPolarHBondContact O-CB 3.3Å; L49-S53 PolarHBondContact O-N 2.95Å; L49-S53 PolarHBondContact O-OG 3.04Å
50	L	91.9	Very high	86.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-44.8	177.4	-72.6	165.5	0	0	0	110.5	M46 C47 S53 S54 F65 F69 I153 P154 Y157	M46-L50 WeakPolarHBondContact O-CB 3.32Å; M46-L50 VanDerWaalsContact O-CG 3.28Å; M46-L50 WeakPolarHBondContact O-CG 3.38Å; M46-L50 PolarHBondContact O-N 2.96Å; C47-L50 PolarHBondContact O-N 2.87Å; L50-S53 PolarHBondContact O-N 3.1Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.13Å; L50-S54 PolarHBondContact O-OG 3.5Å; L50-F65 HydrophobicContact CB-CZ 4.31Å; L50-F65 HydrophobicContact CD2-CE1 3.6Å; L50-F65 HydrophobicContact CD2-CZ 3.53Å; L50-F69 HydrophobicContact CD1-CE2 4.29Å; L50-F69 HydrophobicContact CD2-CD2 3.47Å; L50-F69 VanDerWaalsContact CD2-CD2 3.47Å; L50-F69 HydrophobicContact CD2-CE2 3.83Å; L50-F69 HydrophobicContact CD2-CG 4.06Å; L50-F69 HydrophobicContact CG-CD2 3.9Å; L50-F69 HydrophobicContact CG-CE2 3.81Å; L50-I153 HydrophobicContact CD1-CG1 4.15Å; L50-I153 HydrophobicContact CD1-CG2 4.44Å; L50-P154 HydrophobicContact CD2-CB 4.14Å; L50-P154 HydrophobicContact CD2-CG 4.4Å; L50-Y157 HydrophobicContact CB-CD1 3.84Å; L50-Y157 HydrophobicContact CB-CD2 4.23Å; L50-Y157 HydrophobicContact CB-CE1 3.84Å; L50-Y157 HydrophobicContact CB-CE2 4.24Å; L50-Y157 HydrophobicContact CB-CG 4.04Å; L50-Y157 HydrophobicContact CD1-CD1 4.29Å; L50-Y157 HydrophobicContact CD1-CD2 4.13Å; L50-Y157 HydrophobicContact CD1-CG 3.81Å; L50-Y157 HydrophobicContact CD2-CD1 4.42Å; L50-Y157 HydrophobicContact CG-CD1 4.41Å; L50-Y157 HydrophobicContact CG-CG 4.4Å
51	R	87.4	Confident	85.8	Confident	48 Å²	48	52.4 Å²	52.4	18%	0.181	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-49.5	175.1	-73.7	176.6	71.4	-175.2	2.5	113.1	C47 S53 S54 I55 Y157 N211 E215	C47-R51 WeakPolarHBondContact O-CB 3.35Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.46Å; C47-R51 PolarHBondContact O-N 2.83Å; R51-S53 PolarHBondContact O-N 3.02Å; R51-S54 WeakPolarHBondContact CA-OG 3.49Å; R51-S54 PolarHBondContact O-N 3.02Å; R51-S54 VanDerWaalsContact O-N 3.14Å; R51-S54 PolarHBondContact O-OG 3.11Å; R51-I55 WeakPolarHBondContact O-CG1 3.31Å; R51-I55 PolarHBondContact O-N 3.48Å; R51-I55 VanDerWaalsContact O-N 3.1Å; R51-Y157 HydrophobicContact CG-CE2 4.18Å; R51-Y157 WeakPolarHBondContact CG-OH 3.5Å; R51-N211 PolarHBondContact NH1-O 3.43Å; R51-N211 PolarHBondContact NH1-OD1 3.1Å; R51-N211 VanDerWaalsContact NH1-OD1 3.16Å; R51-E215 VanDerWaalsContact NH1-CG 3.3Å
52	K	83.7	Confident	85.4	Confident	161 Å²	161	55.3 Å²	55.3	70%	0.7	30%	0.303	S	S	*	.	H	α-helix	trans	-57.9	-36.9	176.9	-176.4	176.9	-179.5	178.1	0	111.3	M48 S56	M48-K52 VanDerWaalsContact O-CB 3.31Å; M48-K52 WeakPolarHBondContact O-CB 3.18Å; M48-K52 PolarHBondContact O-N 3.2Å; K52-S56 PolarHBondContact O-N 3.39Å
53	S	81	Confident	85.1	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-74.9	-34	178.9	-56.9	0	0	0	0	112.5	L49 L50 R51 S56 Y59 F65 R72	L49-S53 VanDerWaalsContact O-CB 3.28Å; L49-S53 WeakPolarHBondContact O-CB 3.3Å; L49-S53 PolarHBondContact O-N 2.95Å; L49-S53 PolarHBondContact O-OG 3.04Å; L50-S53 PolarHBondContact O-N 3.1Å; R51-S53 PolarHBondContact O-N 3.02Å; S53-S56 PolarHBondContact O-N 2.88Å; S53-Y59 WeakPolarHBondContact O-CD2 3.38Å; S53-Y59 VanDerWaalsContact O-CE2 3.3Å; S53-Y59 WeakPolarHBondContact O-CE2 3.28Å; S53-F65 VanDerWaalsContact CB-CE2 3.47Å; S53-R72 PolarHBondContact OG-NH2 2.77Å
54	S	75.4	Confident	84.8	Confident	54 Å²	54	66.7 Å²	66.7	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-75.5	-30	-178.9	63.1	0	0	0	0	112.9	L50 R51 S56	L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.13Å; L50-S54 PolarHBondContact O-OG 3.5Å; R51-S54 WeakPolarHBondContact CA-OG 3.49Å; R51-S54 PolarHBondContact O-N 3.02Å; R51-S54 VanDerWaalsContact O-N 3.14Å; R51-S54 PolarHBondContact O-OG 3.11Å; S54-S56 VanDerWaalsContact C-N 3.33Å
55	I	72.5	Confident	84.5	Confident	138 Å²	138	67 Å²	67	71%	0.708	36%	0.356	S	S	*	.	H	α-helix	trans	-73.4	-28.4	173.4	-62.4	166.5	0	0	0	111.1	R51 A57	R51-I55 WeakPolarHBondContact O-CG1 3.31Å; R51-I55 PolarHBondContact O-N 3.48Å; R51-I55 VanDerWaalsContact O-N 3.1Å; I55-A57 PolarHBondContact O-N 2.84Å
56	S	70.2	Confident	84.5	Confident	58 Å²	58	67.2 Å²	67.2	41%	0.406	36%	0.356	S	S	.	.	S	Bend	trans	-71.3	112.8	177.9	-170.6	0	0	0	0	110.1	K52 S53 S54 S58	K52-S56 PolarHBondContact O-N 3.39Å; S53-S56 PolarHBondContact O-N 2.88Å; S54-S56 VanDerWaalsContact C-N 3.33Å; S56-S58 PolarHBondContact O-N 3.23Å; S56-S58 WeakPolarHBondContact OG-CB 3.2Å
57	A	63.7	Low	84.4	Confident	109 Å²	109	70.5 Å²	70.5	90%	0.901	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	11.3	175.1	0	0	0	0	0	114.7	I55	I55-A57 PolarHBondContact O-N 2.84Å
58	S	74.3	Confident	84.3	Confident	86 Å²	86	71.4 Å²	71.4	60%	0.601	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.2	-174.5	-170.5	0	0	0	0	113.4	S56	S56-S58 PolarHBondContact O-N 3.23Å; S56-S58 WeakPolarHBondContact OG-CB 3.2Å
59	Y	80	Confident	84.4	Confident	65 Å²	65	68.1 Å²	68.1	26%	0.255	37%	0.368	S	S	.	.			trans	-93.9	121.7	-176.3	-55.5	-69.7	0	0	0	112	S53 Q64 F65 A68 R72	S53-Y59 WeakPolarHBondContact O-CD2 3.38Å; S53-Y59 VanDerWaalsContact O-CE2 3.3Å; S53-Y59 WeakPolarHBondContact O-CE2 3.28Å; Y59-Q64 HydrophobicContact CD1-CB 4.36Å; Y59-F65 AromaticContact CD2-CD2 3.99Å; Y59-F65 HydrophobicContact CD2-CD2 3.99Å; Y59-F65 HydrophobicContact CE2-CD2 4.28Å; Y59-F65 HydrophobicContact CG-CB 4.23Å; Y59-A68 HydrophobicContact CD1-CB 4.32Å; Y59-A68 HydrophobicContact CE1-CB 3.41Å; Y59-A68 VanDerWaalsContact CE1-CB 3.41Å; Y59-R72 PolarHBondContact OH-NH1 3.29Å
60	K	81.9	Confident	84.7	Confident	196 Å²	196	69.4 Å²	69.4	85%	0.852	37%	0.37	S	S	*	.	S	Bend	trans	-80.8	-19.7	-180	-60.8	-176	179.5	-177.1	0	113.4	Q64	K60-Q64 VanDerWaalsContact N-OE1 3.12Å
61	S	88.5	Confident	84.7	Confident	50 Å²	50	72.9 Å²	72.9	35%	0.35	39%	0.386	S	S	.	.	S	Bend	trans	-148.9	162.3	-177.5	75	0	0	0	0	112.9	F63 Q64 F65	S61-F63 VanDerWaalsContact C-N 3.27Å; S61-F63 PolarHBondContact O-N 2.84Å; S61-Q64 PolarHBondContact O-N 2.92Å; S61-Q64 WeakPolarHBondContact OG-CG 3.04Å; S61-Q64 PolarHBondContact OG-N 2.89Å; S61-F65 PolarHBondContact O-N 3.41Å; S61-F65 VanDerWaalsContact O-N 3.13Å
62	N	88.6	Confident	85	Confident	61 Å²	61	73.9 Å²	73.9	33%	0.326	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-39.2	174.8	-71.7	-4.3	0	0	0	112.4	Q64 F65 I66 L158 R162	N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 3.32Å; N62-F65 WeakPolarHBondContact O-CB 3.39Å; N62-F65 PolarHBondContact O-N 2.96Å; N62-I66 VanDerWaalsContact O-CG1 3.3Å; N62-I66 WeakPolarHBondContact O-CG1 3.28Å; N62-I66 PolarHBondContact O-N 2.96Å; N62-L158 HydrophobicContact CB-CD1 4.23Å; N62-R162 VanDerWaalsContact CG-NH1 3.26Å; N62-R162 PolarHBondContact ND2-NH1 2.82Å; N62-R162 PolarHBondContact OD1-NH1 3.38Å; N62-R162 PolarHBondContact OD1-NH2 3.34Å
63	F	91	Very high	85.5	Confident	153 Å²	153	67.5 Å²	67.5	67%	0.671	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-46.7	178.1	-178	-100.8	0	0	0	111.1	S61 F65 I66 V67	S61-F63 VanDerWaalsContact C-N 3.27Å; S61-F63 PolarHBondContact O-N 2.84Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 PolarHBondContact O-N 3.35Å; F63-I66 PolarHBondContact O-N 3.34Å; F63-V67 HydrophobicContact CD1-CG2 4.18Å; F63-V67 HydrophobicContact CD2-CG2 4.37Å; F63-V67 HydrophobicContact CE1-CG2 3.8Å; F63-V67 HydrophobicContact CE2-CG2 4.01Å; F63-V67 HydrophobicContact CG-CG2 4.45Å; F63-V67 HydrophobicContact CZ-CG2 3.7Å; F63-V67 WeakPolarHBondContact O-CB 3.39Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.42Å; F63-V67 PolarHBondContact O-N 3.5Å
64	Q	91.4	Very high	86.1	Confident	88 Å²	88	70.7 Å²	70.7	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-39.8	176.6	-72.8	178.7	1.8	0	0	112.3	Y59 K60 S61 N62 A68	Y59-Q64 HydrophobicContact CD1-CB 4.36Å; K60-Q64 VanDerWaalsContact N-OE1 3.12Å; S61-Q64 PolarHBondContact O-N 2.92Å; S61-Q64 WeakPolarHBondContact OG-CG 3.04Å; S61-Q64 PolarHBondContact OG-N 2.89Å; N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 3.32Å; Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 2.88Å
65	F	90.6	Very high	87	Confident	9 Å²	9	69.9 Å²	69.9	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-47.7	175.7	172.6	-87.7	0	0	0	112	L50 S53 Y59 S61 N62 F63 A68 F69 L158	L50-F65 HydrophobicContact CB-CZ 4.31Å; L50-F65 HydrophobicContact CD2-CE1 3.6Å; L50-F65 HydrophobicContact CD2-CZ 3.53Å; S53-F65 VanDerWaalsContact CB-CE2 3.47Å; Y59-F65 AromaticContact CD2-CD2 3.99Å; Y59-F65 HydrophobicContact CD2-CD2 3.99Å; Y59-F65 HydrophobicContact CE2-CD2 4.28Å; Y59-F65 HydrophobicContact CG-CB 4.23Å; S61-F65 PolarHBondContact O-N 3.41Å; S61-F65 VanDerWaalsContact O-N 3.13Å; N62-F65 WeakPolarHBondContact O-CB 3.39Å; N62-F65 PolarHBondContact O-N 2.96Å; F63-F65 VanDerWaalsContact C-N 3.32Å; F63-F65 PolarHBondContact O-N 3.35Å; F65-A68 PolarHBondContact O-N 3.28Å; F65-F69 PolarHBondContact O-N 2.93Å; F65-L158 HydrophobicContact CD1-CD1 3.82Å; F65-L158 HydrophobicContact CD1-CD2 4Å; F65-L158 HydrophobicContact CD1-CG 4.08Å; F65-L158 HydrophobicContact CE1-CD1 4.13Å; F65-L158 HydrophobicContact CE1-CD2 3.9Å; F65-L158 HydrophobicContact CE1-CG 3.92Å; F65-L158 HydrophobicContact CZ-CD2 4.43Å
66	I	93.4	Very high	88.1	Confident	24 Å²	24	66.2 Å²	66.2	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-48.8	-179.4	-68	165.4	0	0	0	110.6	N62 F63 A68 F69 Y70 P154 L155 L158	N62-I66 VanDerWaalsContact O-CG1 3.3Å; N62-I66 WeakPolarHBondContact O-CG1 3.28Å; N62-I66 PolarHBondContact O-N 2.96Å; F63-I66 PolarHBondContact O-N 3.34Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 3.49Å; I66-F69 WeakPolarHBondContact O-CB 3.31Å; I66-F69 PolarHBondContact O-N 3.16Å; I66-F69 VanDerWaalsContact O-N 3.11Å; I66-Y70 HydrophobicContact CG2-CD2 3.77Å; I66-Y70 HydrophobicContact CG2-CE1 4.43Å; I66-Y70 HydrophobicContact CG2-CE2 3.18Å; I66-Y70 PolarHBondContact O-N 3.31Å; I66-P154 HydrophobicContact CG1-CB 4.24Å; I66-L155 HydrophobicContact CD1-CD2 3.65Å; I66-L158 HydrophobicContact CD1-CD1 3.85Å; I66-L158 HydrophobicContact CG1-CD1 3.78Å
67	V	93.1	Very high	89.3	Confident	68 Å²	68	64 Å²	64	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-42.2	178.3	171.4	0	0	0	0	110.9	F63 F69 Y70 H71	F63-V67 HydrophobicContact CD1-CG2 4.18Å; F63-V67 HydrophobicContact CD2-CG2 4.37Å; F63-V67 HydrophobicContact CE1-CG2 3.8Å; F63-V67 HydrophobicContact CE2-CG2 4.01Å; F63-V67 HydrophobicContact CG-CG2 4.45Å; F63-V67 HydrophobicContact CZ-CG2 3.7Å; F63-V67 WeakPolarHBondContact O-CB 3.39Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.42Å; F63-V67 PolarHBondContact O-N 3.5Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 3.22Å; V67-Y70 PolarHBondContact O-N 3.36Å; V67-H71 VanDerWaalsContact O-CB 3.28Å; V67-H71 WeakPolarHBondContact O-CB 3.13Å; V67-H71 PolarHBondContact O-N 3.26Å
68	A	91.1	Very high	90.9	Very high	20 Å²	20	60.7 Å²	60.7	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-34.8	177	0	0	0	0	0	112.4	Y59 Q64 F65 I66 R72	Y59-A68 HydrophobicContact CD1-CB 4.32Å; Y59-A68 HydrophobicContact CE1-CB 3.41Å; Y59-A68 VanDerWaalsContact CE1-CB 3.41Å; Q64-A68 WeakPolarHBondContact O-CB 3.42Å; Q64-A68 PolarHBondContact O-N 2.88Å; F65-A68 PolarHBondContact O-N 3.28Å; I66-A68 VanDerWaalsContact C-N 3.31Å; I66-A68 PolarHBondContact O-N 3.49Å; A68-R72 WeakPolarHBondContact O-CG 3.37Å; A68-R72 VanDerWaalsContact O-CZ 3.26Å; A68-R72 PolarHBondContact O-N 2.95Å; A68-R72 VanDerWaalsContact O-N 3.16Å; A68-R72 PolarHBondContact O-NH1 2.69Å
69	F	93.8	Very high	92	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-55.5	171.5	174.6	-87.8	0	0	0	110.8	M46 L50 F65 I66 V67 H71 R72 R73 Y150 I153 P154	M46-F69 HydrophobicContact CG-CZ 4.19Å; M46-F69 HydrophobicContact SD-CE2 3.98Å; M46-F69 HydrophobicContact SD-CZ 3.77Å; L50-F69 HydrophobicContact CD1-CE2 4.29Å; L50-F69 HydrophobicContact CD2-CD2 3.47Å; L50-F69 VanDerWaalsContact CD2-CD2 3.47Å; L50-F69 HydrophobicContact CD2-CE2 3.83Å; L50-F69 HydrophobicContact CD2-CG 4.06Å; L50-F69 HydrophobicContact CG-CD2 3.9Å; L50-F69 HydrophobicContact CG-CE2 3.81Å; F65-F69 PolarHBondContact O-N 2.93Å; I66-F69 WeakPolarHBondContact O-CB 3.31Å; I66-F69 PolarHBondContact O-N 3.16Å; I66-F69 VanDerWaalsContact O-N 3.11Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 3.22Å; F69-H71 VanDerWaalsContact C-N 3.31Å; F69-H71 PolarHBondContact O-N 3.39Å; F69-R72 PolarHBondContact O-N 3.26Å; F69-R73 HydrophobicContact CD1-CG 4.19Å; F69-R73 HydrophobicContact CE1-CG 3.76Å; F69-R73 HydrophobicContact CE2-CG 4.26Å; F69-R73 HydrophobicContact CZ-CG 3.81Å; F69-R73 WeakPolarHBondContact O-CG 3.49Å; F69-R73 PolarHBondContact O-N 2.99Å; F69-R73 VanDerWaalsContact O-N 3.15Å; F69-Y150 WeakPolarHBondContact CE1-O 3.33Å; F69-I153 HydrophobicContact CE1-CG2 4.45Å; F69-I153 HydrophobicContact CZ-CG2 4.07Å; F69-P154 HydrophobicContact CD1-CB 4.34Å; F69-P154 HydrophobicContact CD1-CG 3.26Å; F69-P154 HydrophobicContact CE1-CG 3.41Å; F69-P154 VanDerWaalsContact CE1-CG 3.41Å; F69-P154 HydrophobicContact CG-CG 3.87Å; F69-P154 HydrophobicContact CZ-CG 4.1Å
70	Y	95.1	Very high	92.9	Very high	59 Å²	59	53.6 Å²	53.6	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-44.4	-179.5	-64.8	-33	0	0	0	111.7	I66 V67 R72 R73 L74 Y150 L151 P154	I66-Y70 HydrophobicContact CG2-CD2 3.77Å; I66-Y70 HydrophobicContact CG2-CE1 4.43Å; I66-Y70 HydrophobicContact CG2-CE2 3.18Å; I66-Y70 PolarHBondContact O-N 3.31Å; V67-Y70 PolarHBondContact O-N 3.36Å; Y70-R72 PolarHBondContact O-N 3.13Å; Y70-R73 PolarHBondContact O-N 2.92Å; Y70-R73 VanDerWaalsContact O-N 3.09Å; Y70-L74 WeakPolarHBondContact O-CB 3.43Å; Y70-L74 WeakPolarHBondContact O-CG 3.4Å; Y70-L74 PolarHBondContact O-N 2.85Å; Y70-Y150 WeakPolarHBondContact CE1-O 3.3Å; Y70-L151 HydrophobicContact CE1-CD2 4.46Å; Y70-L151 PolarHBondContact OH-O 2.9Å; Y70-P154 HydrophobicContact CE1-CG 3.82Å
71	H	93	Very high	93.7	Very high	74 Å²	74	44.3 Å²	44.3	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-54.7	-50.8	176.1	174.7	-109.1	0	0	0	112.1	V67 F69 R73 L74 K75 D350	V67-H71 VanDerWaalsContact O-CB 3.28Å; V67-H71 WeakPolarHBondContact O-CB 3.13Å; V67-H71 PolarHBondContact O-N 3.26Å; F69-H71 VanDerWaalsContact C-N 3.31Å; F69-H71 PolarHBondContact O-N 3.39Å; H71-R73 PolarHBondContact O-N 2.56Å; H71-L74 PolarHBondContact O-N 2.93Å; H71-K75 WeakPolarHBondContact O-CB 3.2Å; H71-K75 PolarHBondContact O-N 3.41Å; H71-D350 IonicContact CE1-OD1 3.55Å; H71-D350 PolarHBondContact CE1-OD1 2.81Å; H71-D350 VanDerWaalsContact CE1-OD1 3.25Å; H71-D350 IonicContact CE1-OD2 3.76Å; H71-D350 PolarHBondContact CE1-OD2 2.75Å; H71-D350 IonicContact NE2-OD1 3.02Å; H71-D350 PolarHBondContact NE2-OD1 2.73Å; H71-D350 IonicContact NE2-OD2 3.06Å; H71-D350 PolarHBondContact NE2-OD2 3.08Å
72	R	91.9	Very high	94.1	Very high	69 Å²	69	42 Å²	42	26%	0.26	20%	0.198	S	C	.	.	H	α-helix	trans	-63.4	-26.1	179.2	-75	-172.6	-63.8	-88	-0	113.7	S53 Y59 A68 F69 Y70	S53-R72 PolarHBondContact OG-NH2 2.77Å; Y59-R72 PolarHBondContact OH-NH1 3.29Å; A68-R72 WeakPolarHBondContact O-CG 3.37Å; A68-R72 VanDerWaalsContact O-CZ 3.26Å; A68-R72 PolarHBondContact O-N 2.95Å; A68-R72 VanDerWaalsContact O-N 3.16Å; A68-R72 PolarHBondContact O-NH1 2.69Å; F69-R72 PolarHBondContact O-N 3.26Å; Y70-R72 PolarHBondContact O-N 3.13Å
73	R	94.3	Very high	94.6	Very high	28 Å²	28	40.9 Å²	40.9	11%	0.106	19%	0.192	C	C	.	.	H	α-helix	trans	-82.6	-52.8	177.8	-61.7	-56.6	78.9	-176.5	5.7	110.8	M46 F69 Y70 H71 K75 R76 I77	M46-R73 VanDerWaalsContact CE-NH1 3.31Å; M46-R73 WeakPolarHBondContact SD-CD 3.49Å; M46-R73 HydrophobicContact SD-CG 4.39Å; F69-R73 HydrophobicContact CD1-CG 4.19Å; F69-R73 HydrophobicContact CE1-CG 3.76Å; F69-R73 HydrophobicContact CE2-CG 4.26Å; F69-R73 HydrophobicContact CZ-CG 3.81Å; F69-R73 WeakPolarHBondContact O-CG 3.49Å; F69-R73 PolarHBondContact O-N 2.99Å; F69-R73 VanDerWaalsContact O-N 3.15Å; Y70-R73 PolarHBondContact O-N 2.92Å; Y70-R73 VanDerWaalsContact O-N 3.09Å; H71-R73 PolarHBondContact O-N 2.56Å; R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 2.94Å; R73-R76 WeakPolarHBondContact O-CB 3.34Å; R73-R76 PolarHBondContact O-N 3.4Å; R73-I77 WeakPolarHBondContact O-CG1 3.45Å; R73-I77 PolarHBondContact O-N 2.96Å; R73-I77 VanDerWaalsContact O-N 3.08Å
74	L	94.7	Very high	94.9	Very high	76 Å²	76	34.2 Å²	34.2	40%	0.398	16%	0.164	S	C	.	.	H	α-helix	trans	-61.8	-39.2	-179.8	-66.3	176	0	0	0	111.8	Y70 H71 R76 I77 L78	Y70-L74 WeakPolarHBondContact O-CB 3.43Å; Y70-L74 WeakPolarHBondContact O-CG 3.4Å; Y70-L74 PolarHBondContact O-N 2.85Å; H71-L74 PolarHBondContact O-N 2.93Å; L74-R76 PolarHBondContact O-N 3.24Å; L74-R76 VanDerWaalsContact O-N 3.15Å; L74-I77 PolarHBondContact O-N 3.48Å; L74-L78 VanDerWaalsContact O-CB 3.26Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.29Å
75	K	95.2	Very high	95.2	Very high	37 Å²	37	30.2 Å²	30.2	16%	0.161	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-30.6	173.7	176.4	163.6	179.1	156.4	0	112.9	H71 R73 Y345 L346 L348 D350 I353	H71-K75 WeakPolarHBondContact O-CB 3.2Å; H71-K75 PolarHBondContact O-N 3.41Å; R73-K75 VanDerWaalsContact C-N 3.31Å; R73-K75 PolarHBondContact O-N 2.94Å; K75-Y345 WeakPolarHBondContact O-CE2 3.44Å; K75-L346 WeakPolarHBondContact CE-O 3.47Å; K75-L348 PolarHBondContact NZ-O 3.18Å; K75-D350 IonicContact NZ-OD1 2.74Å; K75-D350 PolarHBondContact NZ-OD1 3.41Å; K75-I353 HydrophobicContact CD-CD1 3.63Å; K75-I353 HydrophobicContact CG-CD1 3.71Å
76	R	94.2	Very high	95.6	Very high	61 Å²	61	31.3 Å²	31.3	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-87.6	-33.8	179.2	-178.9	-179.8	179.2	-172.3	1.2	113.2	R73 L74 Y345 L346	R73-R76 WeakPolarHBondContact O-CB 3.34Å; R73-R76 PolarHBondContact O-N 3.4Å; L74-R76 PolarHBondContact O-N 3.24Å; L74-R76 VanDerWaalsContact O-N 3.15Å; R76-Y345 PolarHBondContact O-OH 3.34Å; R76-L346 HydrophobicContact CB-CD2 4.27Å; R76-L346 HydrophobicContact CG-CD2 4.47Å
77	I	96.3	Very high	95.8	Very high	12 Å²	12	33 Å²	33	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-95.1	-52.2	-170.3	-63.4	169.9	0	0	0	109.9	R73 L74 Y81 F114 L143 V147 Y150 Y296	R73-I77 WeakPolarHBondContact O-CG1 3.45Å; R73-I77 PolarHBondContact O-N 2.96Å; R73-I77 VanDerWaalsContact O-N 3.08Å; L74-I77 PolarHBondContact O-N 3.48Å; I77-Y81 VanDerWaalsContact O-CB 3.3Å; I77-Y81 WeakPolarHBondContact O-CB 3.47Å; I77-Y81 PolarHBondContact O-N 3.11Å; I77-F114 HydrophobicContact CG2-CE1 4.49Å; I77-F114 HydrophobicContact CG2-CZ 4.23Å; I77-L143 HydrophobicContact CG2-CD1 4.36Å; I77-L143 HydrophobicContact CG2-CD2 4.3Å; I77-V147 HydrophobicContact CD1-CG2 4.27Å; I77-V147 HydrophobicContact CG2-CG2 4.35Å; I77-Y150 HydrophobicContact CD1-CD2 3.96Å; I77-Y150 HydrophobicContact CD1-CE2 3.65Å; I77-Y296 WeakPolarHBondContact CA-OH 3.35Å; I77-Y296 WeakPolarHBondContact CG2-OH 3.49Å; I77-Y296 PolarHBondContact O-OH 3.22Å
78	L	97	Very high	95.9	Very high	39 Å²	39	30.1 Å²	30.1	20%	0.204	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-45	-161.2	-167.9	63.2	0	0	0	114.7	L74 L80 Y81 L82 F114 C357	L74-L78 VanDerWaalsContact O-CB 3.26Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 PolarHBondContact O-N 3.29Å; L78-L80 PolarHBondContact O-N 3.44Å; L78-Y81 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CD1-CD1 3.75Å; L78-L82 HydrophobicContact CD1-CD2 4.12Å; L78-L82 HydrophobicContact CD1-CG 3.74Å; L78-L82 HydrophobicContact CD2-CD1 4.33Å; L78-L82 HydrophobicContact CG-CD1 3.65Å; L78-L82 HydrophobicContact CG-CG 4.06Å; L78-L82 WeakPolarHBondContact O-CB 3.35Å; L78-L82 VanDerWaalsContact O-CG 3.29Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.38Å; L78-F114 HydrophobicContact CD1-CE2 4.06Å; L78-F114 HydrophobicContact CD1-CZ 4.38Å; L78-C357 HydrophobicContact CD2-CB 3.89Å; L78-C357 HydrophobicContact CG-CB 4.33Å
79	P	97.7	Very high	96.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-46.4	-175.7	-23.5	33.8	0	0	0	113.3	L83 F341 Y345 I353 L360	P79-L83 WeakPolarHBondContact O-CB 3.08Å; P79-L83 PolarHBondContact O-N 2.94Å; P79-L83 VanDerWaalsContact O-N 3.15Å; P79-F341 HydrophobicContact CB-CE1 4.07Å; P79-F341 HydrophobicContact CB-CZ 4.24Å; P79-Y345 HydrophobicContact CB-CD1 3.89Å; P79-Y345 HydrophobicContact CB-CD2 4.18Å; P79-Y345 HydrophobicContact CB-CE1 3.9Å; P79-Y345 HydrophobicContact CB-CE2 4.29Å; P79-Y345 HydrophobicContact CB-CG 4.05Å; P79-Y345 HydrophobicContact CG-CD1 4.48Å; P79-Y345 HydrophobicContact CG-CD2 3.88Å; P79-Y345 HydrophobicContact CG-CE1 4.47Å; P79-Y345 HydrophobicContact CG-CE2 3.97Å; P79-Y345 HydrophobicContact CG-CG 4.23Å; P79-I353 HydrophobicContact CG-CG2 3.87Å; P79-L360 WeakPolarHBondContact O-CD1 3.35Å
80	L	97.8	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73.4	-38.1	179.9	-179.7	60.4	0	0	0	111.1	L78 L82 L83 V84 Y296 L300 F341 Y345	L78-L80 PolarHBondContact O-N 3.44Å; L80-L82 PolarHBondContact O-N 3.45Å; L80-L83 HydrophobicContact CD1-CD2 4.43Å; L80-L83 PolarHBondContact O-N 2.91Å; L80-V84 HydrophobicContact CD1-CG2 4.07Å; L80-V84 HydrophobicContact CG-CG2 4.42Å; L80-V84 WeakPolarHBondContact O-CG2 3.26Å; L80-V84 PolarHBondContact O-N 3.35Å; L80-Y296 HydrophobicContact CB-CE1 4.02Å; L80-Y296 HydrophobicContact CD2-CD1 3.73Å; L80-Y296 HydrophobicContact CD2-CE1 3.8Å; L80-Y296 HydrophobicContact CG-CE1 4.23Å; L80-L300 HydrophobicContact CD2-CD1 4.49Å; L80-L300 HydrophobicContact CG-CD1 4.16Å; L80-F341 HydrophobicContact CB-CD1 4.37Å; L80-F341 HydrophobicContact CB-CE1 4.26Å; L80-F341 HydrophobicContact CD1-CD1 4.01Å; L80-F341 HydrophobicContact CD1-CE1 4.43Å; L80-Y345 HydrophobicContact CB-CE1 4.09Å
81	Y	98.4	Very high	96.2	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-52.6	175.6	-173.3	-119.8	0	0	0	112.1	I77 L78 L83 V84 I85 A111 F114 T140 L143 L300	I77-Y81 VanDerWaalsContact O-CB 3.3Å; I77-Y81 WeakPolarHBondContact O-CB 3.47Å; I77-Y81 PolarHBondContact O-N 3.11Å; L78-Y81 PolarHBondContact O-N 3.36Å; Y81-L83 VanDerWaalsContact C-N 3.31Å; Y81-L83 PolarHBondContact O-N 2.72Å; Y81-V84 PolarHBondContact O-N 3.09Å; Y81-I85 HydrophobicContact CD1-CD1 3.85Å; Y81-I85 HydrophobicContact CE1-CD1 3.4Å; Y81-I85 VanDerWaalsContact CE1-CD1 3.4Å; Y81-I85 HydrophobicContact CE1-CG1 4.41Å; Y81-I85 HydrophobicContact CE2-CD1 4.14Å; Y81-I85 HydrophobicContact CE2-CG1 4.38Å; Y81-I85 HydrophobicContact CG-CD1 4.43Å; Y81-I85 WeakPolarHBondContact O-CG1 3.49Å; Y81-I85 PolarHBondContact O-N 2.98Å; Y81-A111 WeakPolarHBondContact CE1-O 3.2Å; Y81-A111 PolarHBondContact OH-O 3.16Å; Y81-F114 AromaticContact CD1-CE1 3.58Å; Y81-F114 HydrophobicContact CD1-CE1 3.58Å; Y81-F114 HydrophobicContact CD1-CE2 4.05Å; Y81-F114 AromaticContact CD1-CZ 3.28Å; Y81-F114 HydrophobicContact CD1-CZ 3.28Å; Y81-F114 AromaticContact CE1-CD1 3.88Å; Y81-F114 HydrophobicContact CE1-CD1 3.88Å; Y81-F114 AromaticContact CE1-CE1 3.29Å; Y81-F114 HydrophobicContact CE1-CE1 3.29Å; Y81-F114 HydrophobicContact CE1-CE2 4.01Å; Y81-F114 HydrophobicContact CE1-CG 4.45Å; Y81-F114 AromaticContact CE1-CZ 3.38Å; Y81-F114 HydrophobicContact CE1-CZ 3.38Å; Y81-F114 HydrophobicContact CE2-CE1 4.35Å; Y81-F114 HydrophobicContact CG-CE1 4.18Å; Y81-F114 HydrophobicContact CG-CZ 4.05Å; Y81-F114 AromaticContact CZ-CE1 3.71Å; Y81-T140 HydrophobicContact CE2-CG2 4.09Å; Y81-L143 HydrophobicContact CD2-CD2 3.32Å; Y81-L143 HydrophobicContact CE2-CD2 3.43Å; Y81-L143 VanDerWaalsContact CE2-CD2 3.43Å; Y81-L143 HydrophobicContact CG-CD2 4.01Å; Y81-L300 HydrophobicContact CD2-CD1 4.29Å; Y81-L300 HydrophobicContact CD2-CD2 3.77Å; Y81-L300 HydrophobicContact CE2-CD2 4.1Å
82	L	98.4	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-34.6	-179.8	-65.1	175	0	0	0	112.4	L78 L80 M86 L112 C357 L360 F361 N364	L78-L82 HydrophobicContact CD1-CD1 3.75Å; L78-L82 HydrophobicContact CD1-CD2 4.12Å; L78-L82 HydrophobicContact CD1-CG 3.74Å; L78-L82 HydrophobicContact CD2-CD1 4.33Å; L78-L82 HydrophobicContact CG-CD1 3.65Å; L78-L82 HydrophobicContact CG-CG 4.06Å; L78-L82 WeakPolarHBondContact O-CB 3.35Å; L78-L82 VanDerWaalsContact O-CG 3.29Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.38Å; L80-L82 PolarHBondContact O-N 3.45Å; L82-M86 WeakPolarHBondContact O-CB 3.44Å; L82-M86 PolarHBondContact O-N 2.86Å; L82-L112 HydrophobicContact CD2-CD1 3.59Å; L82-C357 HydrophobicContact CD1-CB 4.16Å; L82-C357 WeakPolarHBondContact CD1-O 3.3Å; L82-L360 HydrophobicContact CB-CB 3.65Å; L82-L360 HydrophobicContact CB-CD1 4.06Å; L82-L360 HydrophobicContact CB-CG 4.48Å; L82-L360 HydrophobicContact CD1-CB 4.13Å; L82-F361 HydrophobicContact CD1-CB 4.22Å; L82-F361 HydrophobicContact CD2-CD2 4.33Å; L82-N364 PolarHBondContact O-ND2 2.88Å
83	L	97.9	Very high	96	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.199	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-42.5	175.3	179.8	67.9	0	0	0	111.5	P79 L80 Y81 M86 S87 F341 L360	P79-L83 WeakPolarHBondContact O-CB 3.08Å; P79-L83 PolarHBondContact O-N 2.94Å; P79-L83 VanDerWaalsContact O-N 3.15Å; L80-L83 HydrophobicContact CD1-CD2 4.43Å; L80-L83 PolarHBondContact O-N 2.91Å; Y81-L83 VanDerWaalsContact C-N 3.31Å; Y81-L83 PolarHBondContact O-N 2.72Å; L83-M86 HydrophobicContact CD1-CE 3.83Å; L83-M86 PolarHBondContact O-N 2.89Å; L83-S87 WeakPolarHBondContact O-CB 3.42Å; L83-S87 PolarHBondContact O-N 3.49Å; L83-S87 PolarHBondContact O-OG 3.23Å; L83-F341 HydrophobicContact CB-CE1 4.24Å; L83-F341 HydrophobicContact CB-CZ 4.27Å; L83-F341 HydrophobicContact CD2-CD1 3.76Å; L83-F341 HydrophobicContact CD2-CD2 3.96Å; L83-F341 HydrophobicContact CD2-CE1 3.72Å; L83-F341 HydrophobicContact CD2-CE2 3.92Å; L83-F341 HydrophobicContact CD2-CG 3.88Å; L83-F341 HydrophobicContact CD2-CZ 3.8Å; L83-L360 HydrophobicContact CB-CD1 4.24Å; L83-L360 HydrophobicContact CD1-CD2 4.22Å
84	V	97.9	Very high	95.7	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.085	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-43.4	177.8	175	0	0	0	0	110.3	L80 Y81 M86 S87 S88 L300 I301	L80-V84 HydrophobicContact CD1-CG2 4.07Å; L80-V84 HydrophobicContact CG-CG2 4.42Å; L80-V84 WeakPolarHBondContact O-CG2 3.26Å; L80-V84 PolarHBondContact O-N 3.35Å; Y81-V84 PolarHBondContact O-N 3.09Å; V84-M86 VanDerWaalsContact C-N 3.28Å; V84-M86 PolarHBondContact O-N 3.22Å; V84-S87 PolarHBondContact O-N 3.15Å; V84-S88 VanDerWaalsContact O-CB 3.32Å; V84-S88 WeakPolarHBondContact O-CB 3.44Å; V84-S88 PolarHBondContact O-N 3.39Å; V84-S88 PolarHBondContact O-OG 3.17Å; V84-S88 VanDerWaalsContact O-OG 3.04Å; V84-L300 HydrophobicContact CB-CB 4.27Å; V84-L300 HydrophobicContact CG1-CB 4.04Å; V84-L300 HydrophobicContact CG2-CB 3.99Å; V84-L300 HydrophobicContact CG2-CD1 4.26Å; V84-I301 HydrophobicContact CG2-CD1 4.42Å; V84-I301 HydrophobicContact CG2-CG1 3.84Å
85	I	98.1	Very high	95.4	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-56.2	-47	173.9	-62.8	176.8	0	0	0	110.1	Y81 S87 S88 S89 A111 L112 F137 N364	Y81-I85 HydrophobicContact CD1-CD1 3.85Å; Y81-I85 HydrophobicContact CE1-CD1 3.4Å; Y81-I85 VanDerWaalsContact CE1-CD1 3.4Å; Y81-I85 HydrophobicContact CE1-CG1 4.41Å; Y81-I85 HydrophobicContact CE2-CD1 4.14Å; Y81-I85 HydrophobicContact CE2-CG1 4.38Å; Y81-I85 HydrophobicContact CG-CD1 4.43Å; Y81-I85 WeakPolarHBondContact O-CG1 3.49Å; Y81-I85 PolarHBondContact O-N 2.98Å; I85-S87 PolarHBondContact O-N 2.84Å; I85-S88 CarbonylContact O-C 3.57Å; I85-S88 PolarHBondContact O-N 3.28Å; I85-S89 WeakPolarHBondContact O-CB 3.47Å; I85-S89 PolarHBondContact O-N 2.89Å; I85-S89 PolarHBondContact O-OG 3.3Å; I85-S89 VanDerWaalsContact O-OG 3.13Å; I85-A111 HydrophobicContact CD1-CB 4.25Å; I85-L112 HydrophobicContact CD1-CD1 4.44Å; I85-F137 HydrophobicContact CB-CE1 4.47Å; I85-F137 HydrophobicContact CG2-CE1 3.98Å; I85-N364 VanDerWaalsContact C-OD1 3.25Å; I85-N364 WeakPolarHBondContact CG2-OD1 3.44Å
86	M	97.7	Very high	94.9	Very high	32 Å²	32	35.3 Å²	35.3	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-46.9	-179.7	-173.8	-168.7	78.4	0	0	111.4	L82 L83 V84 S88 S89 I90 L360 T363 N364 L367	L82-M86 WeakPolarHBondContact O-CB 3.44Å; L82-M86 PolarHBondContact O-N 2.86Å; L83-M86 HydrophobicContact CD1-CE 3.83Å; L83-M86 PolarHBondContact O-N 2.89Å; V84-M86 VanDerWaalsContact C-N 3.28Å; V84-M86 PolarHBondContact O-N 3.22Å; M86-S88 VanDerWaalsContact C-N 3.34Å; M86-S88 PolarHBondContact O-N 3.02Å; M86-S89 PolarHBondContact O-N 3.46Å; M86-I90 HydrophobicContact CE-CD1 4.5Å; M86-I90 HydrophobicContact CG-CD1 4.23Å; M86-I90 WeakPolarHBondContact O-CG1 3.16Å; M86-I90 PolarHBondContact O-N 3.46Å; M86-L360 HydrophobicContact CE-CD2 4.31Å; M86-L360 HydrophobicContact SD-CD2 3.76Å; M86-T363 HydrophobicContact CG-CG2 4.09Å; M86-T363 HydrophobicContact SD-CG2 3.85Å; M86-N364 WeakPolarHBondContact CA-OD1 3.43Å; M86-N364 PolarHBondContact N-OD1 3.28Å; M86-L367 HydrophobicContact CG-CD1 3.77Å
87	S	97.4	Very high	94.2	Very high	58 Å²	58	34.4 Å²	34.4	41%	0.406	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-41.8	178.1	-55.2	0	0	0	0	111.5	L83 V84 I85 I90 F91	L83-S87 WeakPolarHBondContact O-CB 3.42Å; L83-S87 PolarHBondContact O-N 3.49Å; L83-S87 PolarHBondContact O-OG 3.23Å; V84-S87 PolarHBondContact O-N 3.15Å; I85-S87 PolarHBondContact O-N 2.84Å; S87-I90 PolarHBondContact O-N 3.05Å; S87-F91 WeakPolarHBondContact O-CB 3.29Å; S87-F91 PolarHBondContact O-N 3.16Å
88	S	96.8	Very high	93.2	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-37	176.4	-65.7	0	0	0	0	112.4	V84 I85 M86 F91 L92 I136 P304	V84-S88 VanDerWaalsContact O-CB 3.32Å; V84-S88 WeakPolarHBondContact O-CB 3.44Å; V84-S88 PolarHBondContact O-N 3.39Å; V84-S88 PolarHBondContact O-OG 3.17Å; V84-S88 VanDerWaalsContact O-OG 3.04Å; I85-S88 CarbonylContact O-C 3.57Å; I85-S88 PolarHBondContact O-N 3.28Å; M86-S88 VanDerWaalsContact C-N 3.34Å; M86-S88 PolarHBondContact O-N 3.02Å; S88-F91 PolarHBondContact O-N 3.48Å; S88-L92 WeakPolarHBondContact O-CB 3.33Å; S88-L92 PolarHBondContact O-N 3.34Å; S88-I136 WeakPolarHBondContact O-CD1 3.44Å; S88-P304 VanDerWaalsContact OG-CG 3.25Å; S88-P304 WeakPolarHBondContact OG-CG 3.38Å
89	S	95.5	Very high	91.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-40.8	174.2	-66.4	0	0	0	0	112.1	I85 M86 F91 L92 F93 L368	I85-S89 WeakPolarHBondContact O-CB 3.47Å; I85-S89 PolarHBondContact O-N 2.89Å; I85-S89 PolarHBondContact O-OG 3.3Å; I85-S89 VanDerWaalsContact O-OG 3.13Å; M86-S89 PolarHBondContact O-N 3.46Å; S89-F91 VanDerWaalsContact C-N 3.33Å; S89-L92 WeakPolarHBondContact O-CB 3.1Å; S89-L92 PolarHBondContact O-N 2.98Å; S89-F93 WeakPolarHBondContact O-CD2 3.23Å; S89-F93 PolarHBondContact O-N 3.49Å; S89-L368 WeakPolarHBondContact OG-CD2 3.34Å
90	I	95.7	Very high	91	Very high	54 Å²	54	39.2 Å²	39.2	28%	0.277	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-44.8	172.8	-67.1	165.8	0	0	0	110	M86 S87 L92 F93 W94 L367	M86-I90 HydrophobicContact CE-CD1 4.5Å; M86-I90 HydrophobicContact CG-CD1 4.23Å; M86-I90 WeakPolarHBondContact O-CG1 3.16Å; M86-I90 PolarHBondContact O-N 3.46Å; S87-I90 PolarHBondContact O-N 3.05Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.04Å; I90-F93 PolarHBondContact O-N 3.45Å; I90-W94 HydrophobicContact CG2-CD2 4.16Å; I90-W94 HydrophobicContact CG2-CE3 3.65Å; I90-W94 HydrophobicContact CG2-CH2 3.76Å; I90-W94 HydrophobicContact CG2-CZ2 4.24Å; I90-W94 HydrophobicContact CG2-CZ3 3.44Å; I90-W94 VanDerWaalsContact CG2-CZ3 3.44Å; I90-W94 PolarHBondContact O-N 3.42Å; I90-L367 HydrophobicContact CD1-CD1 4.38Å; I90-L367 HydrophobicContact CG1-CD1 3.88Å; I90-L367 HydrophobicContact CG1-CD2 4.36Å
91	F	94	Very high	90.3	Very high	50 Å²	50	39.8 Å²	39.8	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-38.3	177.9	-178.4	-109	0	0	0	112.8	S87 S88 S89 F93 W94 M95 I96 Y308	S87-F91 WeakPolarHBondContact O-CB 3.29Å; S87-F91 PolarHBondContact O-N 3.16Å; S88-F91 PolarHBondContact O-N 3.48Å; S89-F91 VanDerWaalsContact C-N 3.33Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 2.91Å; F91-W94 PolarHBondContact O-N 3.13Å; F91-M95 HydrophobicContact CD2-CB 3.69Å; F91-M95 HydrophobicContact CD2-CG 3.59Å; F91-M95 HydrophobicContact CE1-CB 4.4Å; F91-M95 HydrophobicContact CE2-CB 3.4Å; F91-M95 VanDerWaalsContact CE2-CB 3.4Å; F91-M95 HydrophobicContact CE2-CG 3.47Å; F91-M95 VanDerWaalsContact CE2-CG 3.47Å; F91-M95 HydrophobicContact CG-CB 4.3Å; F91-M95 HydrophobicContact CZ-CB 3.81Å; F91-M95 HydrophobicContact CZ-CG 4.35Å; F91-M95 WeakPolarHBondContact O-CB 3.22Å; F91-M95 PolarHBondContact O-N 2.98Å; F91-I96 HydrophobicContact CD1-CD1 4.31Å; F91-I96 HydrophobicContact CD1-CG1 4.13Å; F91-I96 HydrophobicContact CE1-CD1 3.81Å; F91-I96 HydrophobicContact CE1-CG1 4.12Å; F91-Y308 HydrophobicContact CE1-CD2 4.47Å; F91-Y308 HydrophobicContact CE1-CG 4.16Å; F91-Y308 HydrophobicContact CE2-CG 4.45Å; F91-Y308 VanDerWaalsContact CZ-CB 3.4Å; F91-Y308 AromaticContact CZ-CD1 3.99Å; F91-Y308 HydrophobicContact CZ-CD1 3.99Å; F91-Y308 AromaticContact CZ-CD2 3.86Å; F91-Y308 HydrophobicContact CZ-CD2 3.86Å; F91-Y308 AromaticContact CZ-CG 3.49Å; F91-Y308 HydrophobicContact CZ-CG 3.49Å; F91-Y308 VanDerWaalsContact CZ-CG 3.49Å
92	L	92.4	Very high	89.4	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-55.5	-41.3	174.7	175.9	62.7	0	0	0	112	S88 S89 I90 I96 L101 N104 L105 I136	S88-L92 WeakPolarHBondContact O-CB 3.33Å; S88-L92 PolarHBondContact O-N 3.34Å; S89-L92 WeakPolarHBondContact O-CB 3.1Å; S89-L92 PolarHBondContact O-N 2.98Å; I90-L92 VanDerWaalsContact C-N 3.31Å; I90-L92 PolarHBondContact O-N 3.04Å; L92-I96 HydrophobicContact CD1-CB 3.82Å; L92-I96 HydrophobicContact CD1-CG1 4.22Å; L92-I96 HydrophobicContact CD1-CG2 3.7Å; L92-L101 HydrophobicContact CD1-CD1 4.12Å; L92-L101 HydrophobicContact CD2-CD1 3.83Å; L92-L101 HydrophobicContact CG-CD1 3.67Å; L92-N104 HydrophobicContact CD1-CB 3.51Å; L92-N104 HydrophobicContact CD2-CB 3.58Å; L92-N104 HydrophobicContact CG-CB 4.2Å; L92-L105 HydrophobicContact CD2-CD2 4.03Å; L92-L105 HydrophobicContact CD2-CG 4.4Å; L92-I136 HydrophobicContact CB-CD1 3.94Å; L92-I136 HydrophobicContact CD1-CD1 4.34Å
93	F	89.4	Confident	88.5	Confident	59 Å²	59	47.1 Å²	47.1	26%	0.259	24%	0.243	S	C	.	.	H	α-helix	trans	-75.2	-20.9	-179	-70.6	-60.2	0	0	0	114.9	S89 I90 F91 L101 L105 L367 Y370 P371	S89-F93 WeakPolarHBondContact O-CD2 3.23Å; S89-F93 PolarHBondContact O-N 3.49Å; I90-F93 PolarHBondContact O-N 3.45Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 2.91Å; F93-L101 HydrophobicContact CD1-CD1 4.07Å; F93-L101 HydrophobicContact CE1-CD1 3.78Å; F93-L105 HydrophobicContact CZ-CD2 4.04Å; F93-L367 VanDerWaalsContact CE2-O 3.28Å; F93-L367 WeakPolarHBondContact CE2-O 3.34Å; F93-L367 VanDerWaalsContact CZ-O 3.26Å; F93-L367 WeakPolarHBondContact CZ-O 3.45Å; F93-Y370 HydrophobicContact CE1-CD1 4.26Å; F93-Y370 HydrophobicContact CZ-CD1 4.21Å; F93-P371 HydrophobicContact CE1-CG 3.39Å; F93-P371 HydrophobicContact CZ-CG 3.58Å
94	W	87.6	Confident	88.1	Confident	202 Å²	202	45.3 Å²	45.3	77%	0.765	23%	0.233	S	C	*	.	H	α-helix	trans	-112.3	-25.2	-172.1	-67.1	-17.9	0	0	0	114.6	I90 F91	I90-W94 HydrophobicContact CG2-CD2 4.16Å; I90-W94 HydrophobicContact CG2-CE3 3.65Å; I90-W94 HydrophobicContact CG2-CH2 3.76Å; I90-W94 HydrophobicContact CG2-CZ2 4.24Å; I90-W94 HydrophobicContact CG2-CZ3 3.44Å; I90-W94 VanDerWaalsContact CG2-CZ3 3.44Å; I90-W94 PolarHBondContact O-N 3.42Å; F91-W94 PolarHBondContact O-N 3.13Å
95	M	87.5	Confident	87.8	Confident	93 Å²	93	45.2 Å²	45.2	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-128.1	-20.3	-167.1	-62.4	-72.2	166.1	0	0	113.5	F91 Y308	F91-M95 HydrophobicContact CD2-CB 3.69Å; F91-M95 HydrophobicContact CD2-CG 3.59Å; F91-M95 HydrophobicContact CE1-CB 4.4Å; F91-M95 HydrophobicContact CE2-CB 3.4Å; F91-M95 VanDerWaalsContact CE2-CB 3.4Å; F91-M95 HydrophobicContact CE2-CG 3.47Å; F91-M95 VanDerWaalsContact CE2-CG 3.47Å; F91-M95 HydrophobicContact CG-CB 4.3Å; F91-M95 HydrophobicContact CZ-CB 3.81Å; F91-M95 HydrophobicContact CZ-CG 4.35Å; F91-M95 WeakPolarHBondContact O-CB 3.22Å; F91-M95 PolarHBondContact O-N 2.98Å; M95-Y308 HydrophobicContact CB-CD2 4.05Å; M95-Y308 HydrophobicContact CB-CE2 3.9Å; M95-Y308 WeakPolarHBondContact O-CD2 3.36Å; M95-Y308 VanDerWaalsContact O-CE2 3.23Å; M95-Y308 WeakPolarHBondContact O-CE2 3.4Å
96	I	85.5	Confident	87.3	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.056	26%	0.256	C	S	.	.	S	Bend	trans	-96.5	139.8	-178.1	-60.6	-63.4	0	0	0	109.6	F91 L92 A100 I136 Y308 L311	F91-I96 HydrophobicContact CD1-CD1 4.31Å; F91-I96 HydrophobicContact CD1-CG1 4.13Å; F91-I96 HydrophobicContact CE1-CD1 3.81Å; F91-I96 HydrophobicContact CE1-CG1 4.12Å; L92-I96 HydrophobicContact CD1-CB 3.82Å; L92-I96 HydrophobicContact CD1-CG1 4.22Å; L92-I96 HydrophobicContact CD1-CG2 3.7Å; I96-A100 HydrophobicContact CG2-CB 3.83Å; I96-I136 HydrophobicContact CD1-CG2 3.95Å; I96-I136 HydrophobicContact CG1-CG2 4.19Å; I96-Y308 HydrophobicContact CD1-CD2 4.23Å; I96-L311 HydrophobicContact CD1-CD1 4.38Å; I96-L311 HydrophobicContact CG2-CD1 4.39Å
97	P	79.2	Confident	86.9	Confident	41 Å²	41	50.7 Å²	50.7	27%	0.266	25%	0.253	S	S	.	.			trans	-57.1	141.9	177.6	-26.5	35.2	0	0	0	113.6	T99 A100 V312	P97-T99 PolarHBondContact O-N 3.3Å; P97-A100 PolarHBondContact O-N 2.87Å; P97-V312 HydrophobicContact CG-CG2 4.14Å
98	D	75.6	Confident	86.8	Confident	61 Å²	61	47.9 Å²	47.9	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-54	-29.7	179.1	-91.3	4.9	0	0	0	113.2	A100 L101 S402 R405	D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 PolarHBondContact O-N 3.35Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 3.21Å; D98-L101 VanDerWaalsContact O-N 3.13Å; D98-S402 WeakPolarHBondContact OD2-CB 3.49Å; D98-S402 PolarHBondContact OD2-OG 2.9Å; D98-S402 VanDerWaalsContact OD2-OG 3.1Å; D98-R405 IonicContact OD2-NH1 2.93Å
99	T	69.3	Low	86.7	Confident	84 Å²	84	50.1 Å²	50.1	52%	0.515	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-29.4	177.3	50.7	0	0	0	0	113.3	P97 E401	P97-T99 PolarHBondContact O-N 3.3Å; T99-E401 HydrophobicContact CG2-CB 4.1Å; T99-E401 HydrophobicContact CG2-CG 3.9Å; T99-E401 VanDerWaalsContact CG2-OE1 3.27Å; T99-E401 WeakPolarHBondContact CG2-OE1 3.37Å; T99-E401 WeakPolarHBondContact CG2-OE2 3.43Å
100	A	78.6	Confident	86.6	Confident	8 Å²	8	52 Å²	52	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-89.6	-8.1	177.1	0	0	0	0	0	112.4	I96 P97 D98 L102 N104	I96-A100 HydrophobicContact CG2-CB 3.83Å; P97-A100 PolarHBondContact O-N 2.87Å; D98-A100 VanDerWaalsContact C-N 3.26Å; D98-A100 PolarHBondContact O-N 3.35Å; A100-L102 PolarHBondContact O-N 2.88Å; A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 2.93Å; A100-N104 VanDerWaalsContact O-N 3.08Å; A100-N104 PolarHBondContact O-ND2 3.33Å
101	L	83.7	Confident	86.7	Confident	13 Å²	13	49.4 Å²	49.4	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-56.8	-171.6	-178.3	61.6	0	0	0	112.6	L92 F93 D98 T103 N104 L105	L92-L101 HydrophobicContact CD1-CD1 4.12Å; L92-L101 HydrophobicContact CD2-CD1 3.83Å; L92-L101 HydrophobicContact CG-CD1 3.67Å; F93-L101 HydrophobicContact CD1-CD1 4.07Å; F93-L101 HydrophobicContact CE1-CD1 3.78Å; D98-L101 WeakPolarHBondContact O-CB 3.45Å; D98-L101 PolarHBondContact O-N 3.21Å; D98-L101 VanDerWaalsContact O-N 3.13Å; L101-T103 PolarHBondContact O-N 2.94Å; L101-N104 CarbonylContact O-C 3.51Å; L101-N104 PolarHBondContact O-N 3.43Å; L101-N104 VanDerWaalsContact O-N 3.14Å; L101-L105 HydrophobicContact CD1-CD1 4.18Å; L101-L105 HydrophobicContact CD1-CD2 4.31Å; L101-L105 HydrophobicContact CD1-CG 4.08Å; L101-L105 HydrophobicContact CG-CD1 3.97Å; L101-L105 HydrophobicContact CG-CG 4.29Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 3.15Å
102	L	78.5	Confident	86.8	Confident	86 Å²	86	47.6 Å²	47.6	45%	0.45	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-40.7	-173.7	-177.4	63.3	0	0	0	112.9	A100 N104 L105 R106	A100-L102 PolarHBondContact O-N 2.88Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-L105 PolarHBondContact O-N 2.99Å; L102-R106 WeakPolarHBondContact O-CG 3.17Å; L102-R106 PolarHBondContact O-N 3.48Å
103	T	80.4	Confident	87	Confident	69 Å²	69	52.1 Å²	52.1	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-47.1	175.2	-59.7	0	0	0	0	110.2	L101 R106 S107	L101-T103 PolarHBondContact O-N 2.94Å; T103-R106 PolarHBondContact O-N 2.89Å; T103-S107 WeakPolarHBondContact O-CB 3.34Å; T103-S107 PolarHBondContact O-N 3.41Å; T103-S107 PolarHBondContact O-OG 3.39Å
104	N	89.8	Confident	87.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-34.8	178.9	-78.7	-73.4	0	0	0	113.6	L92 A100 L101 L102 S107 G108 T134 D135 I136 F137	L92-N104 HydrophobicContact CD1-CB 3.51Å; L92-N104 HydrophobicContact CD2-CB 3.58Å; L92-N104 HydrophobicContact CG-CB 4.2Å; A100-N104 WeakPolarHBondContact O-CB 3.45Å; A100-N104 PolarHBondContact O-N 2.93Å; A100-N104 VanDerWaalsContact O-N 3.08Å; A100-N104 PolarHBondContact O-ND2 3.33Å; L101-N104 CarbonylContact O-C 3.51Å; L101-N104 PolarHBondContact O-N 3.43Å; L101-N104 VanDerWaalsContact O-N 3.14Å; L102-N104 VanDerWaalsContact C-N 3.32Å; N104-S107 PolarHBondContact O-N 2.89Å; N104-G108 WeakPolarHBondContact O-CA 3.43Å; N104-G108 PolarHBondContact O-N 3.23Å; N104-T134 PolarHBondContact ND2-O 3.29Å; N104-D135 WeakPolarHBondContact OD1-CA 3.31Å; N104-D135 PolarHBondContact OD1-OD1 3.21Å; N104-I136 VanDerWaalsContact OD1-CG1 3.3Å; N104-I136 WeakPolarHBondContact OD1-CG1 3.44Å; N104-I136 PolarHBondContact OD1-N 3.08Å; N104-F137 HydrophobicContact CB-CD2 4.4Å; N104-F137 HydrophobicContact CB-CE2 4.39Å; N104-F137 WeakPolarHBondContact O-CD2 3.21Å; N104-F137 WeakPolarHBondContact O-CE2 3.38Å
105	L	90.9	Very high	87.6	Confident	13 Å²	13	44.2 Å²	44.2	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-48.8	173.5	-67.7	173.3	0	0	0	110.7	L92 F93 L101 L102 S107 G108 E109 L368 P371	L92-L105 HydrophobicContact CD2-CD2 4.03Å; L92-L105 HydrophobicContact CD2-CG 4.4Å; F93-L105 HydrophobicContact CZ-CD2 4.04Å; L101-L105 HydrophobicContact CD1-CD1 4.18Å; L101-L105 HydrophobicContact CD1-CD2 4.31Å; L101-L105 HydrophobicContact CD1-CG 4.08Å; L101-L105 HydrophobicContact CG-CD1 3.97Å; L101-L105 HydrophobicContact CG-CG 4.29Å; L101-L105 WeakPolarHBondContact O-CG 3.28Å; L101-L105 PolarHBondContact O-N 3.15Å; L102-L105 PolarHBondContact O-N 2.99Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.37Å; L105-G108 PolarHBondContact O-N 2.88Å; L105-E109 WeakPolarHBondContact O-CG 3.42Å; L105-E109 PolarHBondContact O-N 2.91Å; L105-L368 HydrophobicContact CD2-CD2 4.11Å; L105-P371 HydrophobicContact CD1-CB 3.96Å; L105-P371 HydrophobicContact CD1-CG 3.69Å; L105-P371 HydrophobicContact CD2-CG 4.27Å
106	R	87.3	Confident	87.9	Confident	137 Å²	137	40.9 Å²	40.9	52%	0.517	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-38.3	176.9	-70.8	174.9	176.6	173.6	0.1	112.3	L102 T103 K110	L102-R106 WeakPolarHBondContact O-CG 3.17Å; L102-R106 PolarHBondContact O-N 3.48Å; T103-R106 PolarHBondContact O-N 2.89Å; R106-K110 WeakPolarHBondContact O-CD 3.44Å; R106-K110 VanDerWaalsContact O-CG 3.27Å; R106-K110 WeakPolarHBondContact O-CG 3.5Å; R106-K110 PolarHBondContact O-N 2.81Å
107	S	90.3	Very high	88.1	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-36.5	175.9	-71	0	0	0	0	112.2	T103 N104 L105 K110 A111 D135	T103-S107 WeakPolarHBondContact O-CB 3.34Å; T103-S107 PolarHBondContact O-N 3.41Å; T103-S107 PolarHBondContact O-OG 3.39Å; N104-S107 PolarHBondContact O-N 2.89Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.37Å; S107-K110 PolarHBondContact O-N 3.43Å; S107-A111 WeakPolarHBondContact O-CB 3.37Å; S107-A111 PolarHBondContact O-N 3.28Å; S107-D135 VanDerWaalsContact CB-OD1 3.31Å; S107-D135 WeakPolarHBondContact CB-OD1 3.3Å; S107-D135 WeakPolarHBondContact CB-OD2 3.24Å; S107-D135 PolarHBondContact OG-OD2 3.27Å
108	G	95	Very high	87.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-44.3	173.9	0	0	0	0	0	112.6	N104 L105 K110 A111 L112	N104-G108 WeakPolarHBondContact O-CA 3.43Å; N104-G108 PolarHBondContact O-N 3.23Å; L105-G108 PolarHBondContact O-N 2.88Å; G108-K110 VanDerWaalsContact C-N 3.31Å; G108-K110 PolarHBondContact O-N 3.01Å; G108-A111 PolarHBondContact O-N 3.08Å; G108-L112 WeakPolarHBondContact O-CB 3.34Å; G108-L112 PolarHBondContact O-N 3.17Å
109	E	94.5	Very high	86.9	Confident	55 Å²	55	49 Å²	49	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-56.1	-46.1	173.3	-73.8	171.1	-178.5	0	0	110.9	L105 L112 R372	L105-E109 WeakPolarHBondContact O-CG 3.42Å; L105-E109 PolarHBondContact O-N 2.91Å; E109-L112 PolarHBondContact O-N 3.49Å; E109-R372 IonicContact OE1-CZ 2.93Å; E109-R372 IonicContact OE1-NH1 3.27Å; E109-R372 IonicContact OE1-NH2 3.1Å; E109-R372 PolarHBondContact OE1-NH2 3.15Å
110	K	94.1	Very high	86.1	Confident	40 Å²	40	46.1 Å²	46.1	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-40.5	178.2	-66.2	164.7	-169.5	171.7	0	112.3	R106 S107 G108 F114 I115 S116 R118	R106-K110 WeakPolarHBondContact O-CD 3.44Å; R106-K110 VanDerWaalsContact O-CG 3.27Å; R106-K110 WeakPolarHBondContact O-CG 3.5Å; R106-K110 PolarHBondContact O-N 2.81Å; S107-K110 PolarHBondContact O-N 3.43Å; G108-K110 VanDerWaalsContact C-N 3.31Å; G108-K110 PolarHBondContact O-N 3.01Å; K110-F114 PolarHBondContact O-N 3.43Å; K110-I115 HydrophobicContact CB-CG1 3.86Å; K110-I115 HydrophobicContact CG-CD1 4.43Å; K110-I115 HydrophobicContact CG-CG1 4.12Å; K110-I115 WeakPolarHBondContact O-CG1 3.33Å; K110-I115 PolarHBondContact O-N 3.02Å; K110-S116 PolarHBondContact O-N 2.9Å; K110-R118 HydrophobicContact CD-CG 4.47Å; K110-R118 VanDerWaalsContact CE-CD 3.46Å
111	A	96.4	Very high	84.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-44.9	176.5	0	0	0	0	0	110.5	Y81 I85 S107 G108 I113 F114 F137 T140	Y81-A111 WeakPolarHBondContact CE1-O 3.2Å; Y81-A111 PolarHBondContact OH-O 3.16Å; I85-A111 HydrophobicContact CD1-CB 4.25Å; S107-A111 WeakPolarHBondContact O-CB 3.37Å; S107-A111 PolarHBondContact O-N 3.28Å; G108-A111 PolarHBondContact O-N 3.08Å; A111-I113 PolarHBondContact O-N 3.07Å; A111-F114 PolarHBondContact O-N 2.82Å; A111-F137 HydrophobicContact CB-CB 4.38Å; A111-F137 HydrophobicContact CB-CD1 4.39Å; A111-T140 HydrophobicContact CB-CG2 4.14Å
112	L	97.4	Very high	82.9	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-54.1	-33.8	-177.9	-175.9	60.3	0	0	0	113.5	L82 I85 G108 E109 F361 N364 V365 L368	L82-L112 HydrophobicContact CD2-CD1 3.59Å; I85-L112 HydrophobicContact CD1-CD1 4.44Å; G108-L112 WeakPolarHBondContact O-CB 3.34Å; G108-L112 PolarHBondContact O-N 3.17Å; E109-L112 PolarHBondContact O-N 3.49Å; L112-F361 HydrophobicContact CD1-CD2 3.76Å; L112-F361 HydrophobicContact CD1-CE2 4.01Å; L112-F361 HydrophobicContact CD2-CD2 4.41Å; L112-F361 HydrophobicContact CD2-CE2 4.07Å; L112-F361 HydrophobicContact CD2-CZ 4.48Å; L112-F361 HydrophobicContact CG-CD2 4.03Å; L112-F361 HydrophobicContact CG-CE2 3.74Å; L112-N364 HydrophobicContact CD1-CB 3.68Å; L112-N364 HydrophobicContact CD2-CB 4.05Å; L112-V365 HydrophobicContact CD2-CG2 3.75Å; L112-L368 HydrophobicContact CB-CD1 4.42Å; L112-L368 HydrophobicContact CD2-CD1 4.11Å
113	I	95.9	Very high	81.2	Confident	97 Å²	97	63.1 Å²	63.1	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	17.9	-179.9	67	-179.9	0	0	0	113.8	A111 I115 F361	A111-I113 PolarHBondContact O-N 3.07Å; I113-I115 HydrophobicContact CD1-CD1 3.55Å; I113-I115 HydrophobicContact CD1-CG1 4.03Å; I113-I115 HydrophobicContact CG1-CD1 3.85Å; I113-I115 HydrophobicContact CG1-CG1 3.71Å; I113-I115 HydrophobicContact CG1-CG2 4.29Å; I113-I115 PolarHBondContact O-N 3.15Å; I113-F361 HydrophobicContact CG2-CE2 4.39Å
114	F	95.9	Very high	79.8	Confident	23 Å²	23	62.3 Å²	62.3	10%	0.101	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	42.3	178.6	-64	-79	0	0	0	114.7	I77 L78 Y81 K110 A111 L143 S144 V147 Q148	I77-F114 HydrophobicContact CG2-CE1 4.49Å; I77-F114 HydrophobicContact CG2-CZ 4.23Å; L78-F114 HydrophobicContact CD1-CE2 4.06Å; L78-F114 HydrophobicContact CD1-CZ 4.38Å; Y81-F114 AromaticContact CD1-CE1 3.58Å; Y81-F114 HydrophobicContact CD1-CE1 3.58Å; Y81-F114 HydrophobicContact CD1-CE2 4.05Å; Y81-F114 AromaticContact CD1-CZ 3.28Å; Y81-F114 HydrophobicContact CD1-CZ 3.28Å; Y81-F114 AromaticContact CE1-CD1 3.88Å; Y81-F114 HydrophobicContact CE1-CD1 3.88Å; Y81-F114 AromaticContact CE1-CE1 3.29Å; Y81-F114 HydrophobicContact CE1-CE1 3.29Å; Y81-F114 HydrophobicContact CE1-CE2 4.01Å; Y81-F114 HydrophobicContact CE1-CG 4.45Å; Y81-F114 AromaticContact CE1-CZ 3.38Å; Y81-F114 HydrophobicContact CE1-CZ 3.38Å; Y81-F114 HydrophobicContact CE2-CE1 4.35Å; Y81-F114 HydrophobicContact CG-CE1 4.18Å; Y81-F114 HydrophobicContact CG-CZ 4.05Å; Y81-F114 AromaticContact CZ-CE1 3.71Å; K110-F114 PolarHBondContact O-N 3.43Å; A111-F114 PolarHBondContact O-N 2.82Å; F114-L143 HydrophobicContact CE1-CD2 3.95Å; F114-L143 HydrophobicContact CE1-CG 4.05Å; F114-S144 VanDerWaalsContact C-OG 3.27Å; F114-S144 WeakPolarHBondContact CA-OG 3.35Å; F114-S144 WeakPolarHBondContact O-CB 3.44Å; F114-V147 HydrophobicContact CB-CG1 4.41Å; F114-V147 HydrophobicContact CD1-CB 3.96Å; F114-V147 HydrophobicContact CD1-CG1 4.21Å; F114-V147 HydrophobicContact CD1-CG2 3.84Å; F114-V147 HydrophobicContact CD2-CG1 4.13Å; F114-V147 HydrophobicContact CE1-CB 4.27Å; F114-V147 HydrophobicContact CE1-CG2 3.65Å; F114-V147 HydrophobicContact CE2-CG1 4.43Å; F114-V147 HydrophobicContact CG-CB 4.21Å; F114-V147 HydrophobicContact CG-CG1 4Å; F114-V147 HydrophobicContact CG-CG2 4.46Å; F114-V147 HydrophobicContact CZ-CG2 4.12Å; F114-Q148 PolarHBondContact O-NE2 3.09Å
115	I	94.7	Very high	78.2	Confident	73 Å²	73	66.1 Å²	66.1	37%	0.374	32%	0.324	S	S	.	.			trans	-122.7	20.2	174.4	69.9	174.6	0	0	0	113	K110 I113 N117	K110-I115 HydrophobicContact CB-CG1 3.86Å; K110-I115 HydrophobicContact CG-CD1 4.43Å; K110-I115 HydrophobicContact CG-CG1 4.12Å; K110-I115 WeakPolarHBondContact O-CG1 3.33Å; K110-I115 PolarHBondContact O-N 3.02Å; I113-I115 HydrophobicContact CD1-CD1 3.55Å; I113-I115 HydrophobicContact CD1-CG1 4.03Å; I113-I115 HydrophobicContact CG1-CD1 3.85Å; I113-I115 HydrophobicContact CG1-CG1 3.71Å; I113-I115 HydrophobicContact CG1-CG2 4.29Å; I113-I115 PolarHBondContact O-N 3.15Å; I115-N117 PolarHBondContact O-N 3.03Å
116	S	92.1	Very high	76.6	Confident	23 Å²	23	65.8 Å²	65.8	16%	0.161	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14	178.9	54.3	0	0	0	0	113.7	K110 R118 T140 W141 S144	K110-S116 PolarHBondContact O-N 2.9Å; S116-R118 PolarHBondContact O-N 3.42Å; S116-T140 VanDerWaalsContact CB-OG1 3.25Å; S116-T140 WeakPolarHBondContact CB-OG1 3.32Å; S116-T140 PolarHBondContact OG-O 2.58Å; S116-T140 PolarHBondContact OG-OG1 3.19Å; S116-W141 WeakPolarHBondContact OG-CA 3.46Å; S116-W141 PolarHBondContact OG-N 3.48Å; S116-S144 PolarHBondContact N-OG 3.33Å; S116-S144 PolarHBondContact OG-OG 3.32Å
117	N	91	Very high	75.4	Confident	16 Å²	16	61.5 Å²	61.5	9%	0.086	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	27.3	176.9	68.9	-57.9	0	0	0	114.5	I115 W141 S144 V145 Q148 N195 V197	I115-N117 PolarHBondContact O-N 3.03Å; N117-W141 HydrophobicContact CB-CB 4.23Å; N117-S144 VanDerWaalsContact OD1-CB 3.27Å; N117-S144 WeakPolarHBondContact OD1-CB 3.29Å; N117-V145 HydrophobicContact CB-CG2 3.75Å; N117-Q148 PolarHBondContact ND2-OE1 2.87Å; N117-Q148 PolarHBondContact OD1-NE2 2.95Å; N117-Q148 PolarHBondContact OD1-OE1 2.52Å; N117-N195 WeakPolarHBondContact CB-O 3.32Å; N117-N195 PolarHBondContact ND2-O 3.07Å; N117-N195 WeakPolarHBondContact O-CB 3.35Å; N117-V197 WeakPolarHBondContact ND2-CG2 3.35Å
118	R	71.7	Confident	73.9	Confident	139 Å²	139	62.1 Å²	62.1	53%	0.525	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-72.4	158.1	178.4	65.8	-175.2	-81.8	171.1	-7.8	111.9	K110 S116 A120	K110-R118 HydrophobicContact CD-CG 4.47Å; K110-R118 VanDerWaalsContact CE-CD 3.46Å; S116-R118 PolarHBondContact O-N 3.42Å; R118-A120 PolarHBondContact O-N 3Å
119	M	58.1	Low	72.2	Confident	128 Å²	128	64.4 Å²	64.4	63%	0.631	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-57	125.9	174.6	-68.5	179	-119.9	0	0	109.8	E192	M119-E192 HydrophobicContact CG-CG 4.27Å; M119-E192 HydrophobicContact SD-CG 4.22Å
120	A	52.3	Low	70.7	Confident	23 Å²	23	62.3 Å²	62.3	19%	0.19	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-58.7	132.7	165.6	0	0	0	0	0	109	R118 E124 T191	R118-A120 PolarHBondContact O-N 3Å; A120-E124 VanDerWaalsContact CA-OE2 3.3Å; A120-E124 WeakPolarHBondContact CA-OE2 3.36Å; A120-E124 HydrophobicContact CB-CB 3.31Å; A120-E124 HydrophobicContact CB-CG 4.36Å; A120-E124 WeakPolarHBondContact CB-O 3.47Å; A120-T191 HydrophobicContact CB-CG2 3.75Å
121	T	49.4	Very low	69.3	Low	87 Å²	87	63.4 Å²	63.4	53%	0.534	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-63.9	162.6	162.1	49.9	0	0	0	0	108.8	E123 E124	T121-E123 PolarHBondContact O-N 2.98Å; T121-E124 WeakPolarHBondContact O-CB 3.25Å; T121-E124 PolarHBondContact O-N 2.92Å; T121-E124 PolarHBondContact OG1-OE1 3Å
122	L	46	Very low	67.9	Low	191 Å²	191	70.8 Å²	70.8	100%	1	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-15.4	-173.5	-74.3	158.8	0	0	0	115.3
123	E	42.2	Very low	67	Low	186 Å²	186	70.2 Å²	70.2	87%	0.869	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.5	178.2	-64.5	176.9	167.2	0	0	114.5	T121	T121-E123 PolarHBondContact O-N 2.98Å
124	E	50.2	Low	66.2	Low	53 Å²	53	68.3 Å²	68.3	25%	0.248	34%	0.344	C	S	.	.			trans	-111.7	58.7	-169.1	-67.2	-177.5	-159.6	0	0	113.5	A120 T121 Y126 R129	A120-E124 VanDerWaalsContact CA-OE2 3.3Å; A120-E124 WeakPolarHBondContact CA-OE2 3.36Å; A120-E124 HydrophobicContact CB-CB 3.31Å; A120-E124 HydrophobicContact CB-CG 4.36Å; A120-E124 WeakPolarHBondContact CB-O 3.47Å; T121-E124 WeakPolarHBondContact O-CB 3.25Å; T121-E124 PolarHBondContact O-N 2.92Å; T121-E124 PolarHBondContact OG1-OE1 3Å; E124-Y126 PolarHBondContact O-N 3.33Å; E124-R129 IonicContact OE2-CZ 2.82Å; E124-R129 VanDerWaalsContact OE2-CZ 3.24Å; E124-R129 IonicContact OE2-NH1 3.43Å; E124-R129 PolarHBondContact OE2-NH1 2.71Å; E124-R129 IonicContact OE2-NH2 3.62Å; E124-R129 PolarHBondContact OE2-NH2 2.92Å
125	D	56.3	Low	65.8	Low	79 Å²	79	67.5 Å²	67.5	42%	0.422	34%	0.34	S	S	.	.			trans	-58.7	123.3	168.3	-179.9	5	0	0	0	109.7	F127 A128 R129	D125-F127 VanDerWaalsContact C-N 3.31Å; D125-F127 PolarHBondContact O-N 3.38Å; D125-F127 PolarHBondContact OD1-N 3.41Å; D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.39Å; D125-A128 PolarHBondContact O-N 2.86Å; D125-A128 VanDerWaalsContact O-N 3.14Å; D125-R129 PolarHBondContact O-N 3.49Å
126	Y	57.2	Low	65.7	Low	7 Å²	7	64 Å²	64	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-42.8	179.8	172.1	-96.4	0	0	0	111.8	E124 A128 R129 L130 W141 F194	E124-Y126 PolarHBondContact O-N 3.33Å; Y126-A128 VanDerWaalsContact C-N 3.26Å; Y126-A128 PolarHBondContact O-N 2.98Å; Y126-R129 PolarHBondContact O-N 3.19Å; Y126-L130 HydrophobicContact CE1-CD1 4.29Å; Y126-L130 HydrophobicContact CE1-CD2 4.08Å; Y126-L130 HydrophobicContact CE2-CD1 4.16Å; Y126-L130 WeakPolarHBondContact O-CB 3.23Å; Y126-L130 PolarHBondContact O-N 2.9Å; Y126-W141 AromaticContact CE2-CD1 3.5Å; Y126-W141 VanDerWaalsContact CE2-CD1 3.5Å; Y126-W141 HydrophobicContact CE2-CG 4.49Å; Y126-W141 AromaticContact CE2-NE1 3.23Å; Y126-W141 AromaticContact CZ-NE1 3.41Å; Y126-W141 PolarHBondContact OH-NE1 2.97Å; Y126-F194 HydrophobicContact CD1-CD1 4.28Å; Y126-F194 AromaticContact CD1-CE1 3.59Å; Y126-F194 HydrophobicContact CD1-CE1 3.59Å; Y126-F194 HydrophobicContact CD1-CE2 4.1Å; Y126-F194 AromaticContact CD1-CZ 3.5Å; Y126-F194 HydrophobicContact CD1-CZ 3.5Å; Y126-F194 VanDerWaalsContact CD1-CZ 3.5Å; Y126-F194 HydrophobicContact CD2-CD1 4.27Å; Y126-F194 AromaticContact CD2-CE1 3.61Å; Y126-F194 HydrophobicContact CD2-CE1 3.61Å; Y126-F194 HydrophobicContact CD2-CZ 4.27Å; Y126-F194 AromaticContact CE1-CE1 3.63Å; Y126-F194 HydrophobicContact CE1-CE1 3.63Å; Y126-F194 HydrophobicContact CE1-CE2 4.06Å; Y126-F194 AromaticContact CE1-CZ 3.24Å; Y126-F194 HydrophobicContact CE1-CZ 3.24Å; Y126-F194 AromaticContact CE2-CE1 3.64Å; Y126-F194 HydrophobicContact CE2-CE1 3.64Å; Y126-F194 HydrophobicContact CE2-CZ 4.05Å; Y126-F194 HydrophobicContact CG-CD1 4.04Å; Y126-F194 AromaticContact CG-CE1 3.57Å; Y126-F194 HydrophobicContact CG-CE1 3.57Å; Y126-F194 HydrophobicContact CG-CZ 4.01Å; Y126-F194 AromaticContact CZ-CE1 3.64Å; Y126-F194 AromaticContact CZ-CZ 3.53Å
127	F	61.8	Low	65.8	Low	47 Å²	47	63 Å²	63	21%	0.206	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-34.7	179.2	-72.2	-77.7	0	0	0	111.1	F21 Y32 D125 L130 S131	F21-F127 HydrophobicContact CZ-CD1 4.02Å; F21-F127 AromaticContact CZ-CE1 3.88Å; F21-F127 HydrophobicContact CZ-CE1 3.88Å; Y32-F127 HydrophobicContact CD1-CE1 4.46Å; D125-F127 VanDerWaalsContact C-N 3.31Å; D125-F127 PolarHBondContact O-N 3.38Å; D125-F127 PolarHBondContact OD1-N 3.41Å; F127-L130 PolarHBondContact O-N 3.37Å; F127-S131 PolarHBondContact O-N 3.02Å; F127-S131 PolarHBondContact O-OG 3.27Å
128	A	59.3	Low	65.7	Low	25 Å²	25	62.8 Å²	62.8	21%	0.207	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-45	172.5	0	0	0	0	0	111.7	D125 Y126 L130 S131 Y132	D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.39Å; D125-A128 PolarHBondContact O-N 2.86Å; D125-A128 VanDerWaalsContact O-N 3.14Å; Y126-A128 VanDerWaalsContact C-N 3.26Å; Y126-A128 PolarHBondContact O-N 2.98Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3Å; A128-S131 VanDerWaalsContact CA-OG 3.31Å; A128-S131 WeakPolarHBondContact CA-OG 3.19Å; A128-S131 PolarHBondContact O-N 3.13Å; A128-S131 VanDerWaalsContact O-N 3.17Å; A128-S131 PolarHBondContact O-OG 2.78Å; A128-Y132 HydrophobicContact CB-CD2 4.25Å; A128-Y132 HydrophobicContact CB-CE2 3.88Å; A128-Y132 WeakPolarHBondContact O-CD2 3.22Å; A128-Y132 PolarHBondContact O-N 2.83Å
129	R	60	Low	66.7	Low	48 Å²	48	56.3 Å²	56.3	18%	0.181	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-37.7	174	-77.5	-166.3	-72.5	-157.8	-14	112.6	E124 D125 Y126 A133	E124-R129 IonicContact OE2-CZ 2.82Å; E124-R129 VanDerWaalsContact OE2-CZ 3.24Å; E124-R129 IonicContact OE2-NH1 3.43Å; E124-R129 PolarHBondContact OE2-NH1 2.71Å; E124-R129 IonicContact OE2-NH2 3.62Å; E124-R129 PolarHBondContact OE2-NH2 2.92Å; D125-R129 PolarHBondContact O-N 3.49Å; Y126-R129 PolarHBondContact O-N 3.19Å; R129-A133 WeakPolarHBondContact O-CA 3.3Å; R129-A133 PolarHBondContact O-N 3.34Å
130	L	61.9	Low	68.5	Low	12 Å²	12	50.3 Å²	50.3	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-35.2	177.2	-141.3	75.3	0	0	0	112	F21 Y126 F127 A128 T138 W303	F21-L130 HydrophobicContact CD1-CD2 3.93Å; F21-L130 HydrophobicContact CE1-CD2 3.03Å; F21-L130 HydrophobicContact CZ-CD2 3.45Å; F21-L130 VanDerWaalsContact CZ-CD2 3.45Å; Y126-L130 HydrophobicContact CE1-CD1 4.29Å; Y126-L130 HydrophobicContact CE1-CD2 4.08Å; Y126-L130 HydrophobicContact CE2-CD1 4.16Å; Y126-L130 WeakPolarHBondContact O-CB 3.23Å; Y126-L130 PolarHBondContact O-N 2.9Å; F127-L130 PolarHBondContact O-N 3.37Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3Å; L130-T138 HydrophobicContact CD1-CG2 4.05Å; L130-W303 HydrophobicContact CB-CH2 4.31Å; L130-W303 HydrophobicContact CD1-CE3 4.42Å; L130-W303 HydrophobicContact CD1-CH2 3.19Å; L130-W303 HydrophobicContact CD1-CZ2 3.7Å; L130-W303 HydrophobicContact CD1-CZ3 3.58Å; L130-W303 HydrophobicContact CG-CH2 3.41Å; L130-W303 VanDerWaalsContact CG-CH2 3.41Å; L130-W303 HydrophobicContact CG-CZ2 4.3Å; L130-W303 HydrophobicContact CG-CZ3 3.81Å
131	S	65.4	Low	70.5	Confident	62 Å²	62	49.4 Å²	49.4	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-73.3	-36.8	176	60.1	0	0	0	0	113	F127 A128 K310	F127-S131 PolarHBondContact O-N 3.02Å; F127-S131 PolarHBondContact O-OG 3.27Å; A128-S131 VanDerWaalsContact CA-OG 3.31Å; A128-S131 WeakPolarHBondContact CA-OG 3.19Å; A128-S131 PolarHBondContact O-N 3.13Å; A128-S131 VanDerWaalsContact O-N 3.17Å; A128-S131 PolarHBondContact O-OG 2.78Å; S131-K310 VanDerWaalsContact O-CE 3.25Å; S131-K310 WeakPolarHBondContact O-CE 3.41Å
132	Y	67.3	Low	72.6	Confident	155 Å²	155	45.7 Å²	45.7	61%	0.608	23%	0.23	S	C	*	.	H	α-helix	trans	-80.1	-29.9	176.8	-62	-53.5	0	0	0	112.6	A128 T134	A128-Y132 HydrophobicContact CB-CD2 4.25Å; A128-Y132 HydrophobicContact CB-CE2 3.88Å; A128-Y132 WeakPolarHBondContact O-CD2 3.22Å; A128-Y132 PolarHBondContact O-N 2.83Å; Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.12Å
133	A	78.3	Confident	75	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.			trans	50.5	32.4	-179	0	0	0	0	0	114.3	R129 D135 W303 Y306 A307 K310 L311	R129-A133 WeakPolarHBondContact O-CA 3.3Å; R129-A133 PolarHBondContact O-N 3.34Å; A133-D135 VanDerWaalsContact C-N 3.28Å; A133-D135 PolarHBondContact O-N 2.88Å; A133-W303 HydrophobicContact CB-CH2 4.43Å; A133-W303 HydrophobicContact CB-CZ2 4.19Å; A133-Y306 HydrophobicContact CB-CD1 4.5Å; A133-Y306 HydrophobicContact CB-CE1 4.11Å; A133-A307 HydrophobicContact CB-CB 4.27Å; A133-A307 WeakPolarHBondContact O-CB 3.39Å; A133-K310 HydrophobicContact CB-CB 3.85Å; A133-K310 HydrophobicContact CB-CG 3.88Å; A133-L311 WeakPolarHBondContact O-CD1 3.46Å
134	T	79.3	Confident	77.6	Confident	57 Å²	57	28.2 Å²	28.2	35%	0.35	14%	0.143	S	C	.	.			trans	-72.2	-20.8	178.2	49.8	0	0	0	0	113.2	N104 Y132 L311	N104-T134 PolarHBondContact ND2-O 3.29Å; Y132-T134 PolarHBondContact O-N 3.07Å; Y132-T134 VanDerWaalsContact O-N 3.12Å; T134-L311 HydrophobicContact CG2-CD2 3.9Å
135	D	87.3	Confident	79.8	Confident	6 Å²	6	25.7 Å²	25.7	3%	0.032	13%	0.132	C	C	.	.			trans	-109.7	108.2	179.3	-176.6	-6.4	0	0	0	111.4	N104 S107 A133 F137 T138 W303	N104-D135 WeakPolarHBondContact OD1-CA 3.31Å; N104-D135 PolarHBondContact OD1-OD1 3.21Å; S107-D135 VanDerWaalsContact CB-OD1 3.31Å; S107-D135 WeakPolarHBondContact CB-OD1 3.3Å; S107-D135 WeakPolarHBondContact CB-OD2 3.24Å; S107-D135 PolarHBondContact OG-OD2 3.27Å; A133-D135 VanDerWaalsContact C-N 3.28Å; A133-D135 PolarHBondContact O-N 2.88Å; D135-F137 PolarHBondContact O-N 3.33Å; D135-F137 WeakPolarHBondContact OD1-CA 3.35Å; D135-F137 PolarHBondContact OD1-N 2.91Å; D135-T138 PolarHBondContact O-N 3.45Å; D135-T138 PolarHBondContact OD1-N 3.2Å; D135-W303 PolarHBondContact O-NE1 3.19Å
136	I	92.9	Very high	81.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-12	179.4	81.9	-176	0	0	0	112.9	S88 L92 I96 N104 H139 W303 P304 A307	S88-I136 WeakPolarHBondContact O-CD1 3.44Å; L92-I136 HydrophobicContact CB-CD1 3.94Å; L92-I136 HydrophobicContact CD1-CD1 4.34Å; I96-I136 HydrophobicContact CD1-CG2 3.95Å; I96-I136 HydrophobicContact CG1-CG2 4.19Å; N104-I136 VanDerWaalsContact OD1-CG1 3.3Å; N104-I136 WeakPolarHBondContact OD1-CG1 3.44Å; N104-I136 PolarHBondContact OD1-N 3.08Å; I136-H139 PolarHBondContact O-CE1 3Å; I136-W303 VanDerWaalsContact O-CD1 3.3Å; I136-P304 HydrophobicContact CB-CB 4.27Å; I136-A307 HydrophobicContact CB-CB 4.42Å; I136-A307 HydrophobicContact CG2-CB 3.92Å
137	F	93.8	Very high	83.6	Confident	3 Å²	3	23.4 Å²	23.4	1%	0.013	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	1.2	178.1	-61.8	-74.4	0	0	0	112.9	I85 N104 A111 D135 H139 T140	I85-F137 HydrophobicContact CB-CE1 4.47Å; I85-F137 HydrophobicContact CG2-CE1 3.98Å; N104-F137 HydrophobicContact CB-CD2 4.4Å; N104-F137 HydrophobicContact CB-CE2 4.39Å; N104-F137 WeakPolarHBondContact O-CD2 3.21Å; N104-F137 WeakPolarHBondContact O-CE2 3.38Å; A111-F137 HydrophobicContact CB-CB 4.38Å; A111-F137 HydrophobicContact CB-CD1 4.39Å; D135-F137 PolarHBondContact O-N 3.33Å; D135-F137 WeakPolarHBondContact OD1-CA 3.35Å; D135-F137 PolarHBondContact OD1-N 2.91Å; F137-H139 VanDerWaalsContact C-N 3.32Å; F137-H139 PolarHBondContact O-N 3.42Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 WeakPolarHBondContact O-CG2 3.41Å; F137-T140 PolarHBondContact O-N 2.96Å; F137-T140 PolarHBondContact O-OG1 3.48Å
138	T	89.7	Confident	85.3	Confident	10 Å²	10	23.3 Å²	23.3	6%	0.061	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-44.8	-172.8	-163	0	0	0	0	112.1	L130 D135 T140 W141 W303	L130-T138 HydrophobicContact CD1-CG2 4.05Å; D135-T138 PolarHBondContact O-N 3.45Å; D135-T138 PolarHBondContact OD1-N 3.2Å; T138-T140 PolarHBondContact O-N 3.12Å; T138-W141 PolarHBondContact O-N 3.31Å; T138-W303 HydrophobicContact CG2-CD2 4.31Å; T138-W303 HydrophobicContact CG2-CH2 4.38Å; T138-W303 HydrophobicContact CG2-CZ2 3.39Å; T138-W303 VanDerWaalsContact CG2-NE1 3.33Å
139	H	92.5	Very high	87.1	Confident	3 Å²	3	22.4 Å²	22.4	1%	0.014	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.1	-178.1	67.8	-53.3	0	0	0	114.3	I136 F137 W141 S142 Y299 L300 W303	I136-H139 PolarHBondContact O-CE1 3Å; F137-H139 VanDerWaalsContact C-N 3.32Å; F137-H139 PolarHBondContact O-N 3.42Å; H139-W141 PolarHBondContact O-N 3.08Å; H139-W141 VanDerWaalsContact O-N 3.17Å; H139-S142 PolarHBondContact O-OG 3.38Å; H139-Y299 PolarHBondContact CD2-O 2.83Å; H139-Y299 PolarHBondContact O-OH 3.36Å; H139-L300 PolarHBondContact NE2-O 2.84Å; H139-W303 HydrophobicContact CB-CB 4.03Å; H139-W303 HydrophobicContact CB-CD2 4.23Å; H139-W303 HydrophobicContact CB-CG 3.82Å; H139-W303 AromaticContact CE1-CD1 3.71Å; H139-W303 AromaticContact CE1-CG 3.99Å; H139-W303 VanDerWaalsContact CG-CB 3.5Å; H139-W303 AromaticContact CG-CD1 3.77Å; H139-W303 AromaticContact CG-CG 3.59Å; H139-W303 AromaticContact ND1-CD1 3.19Å; H139-W303 AromaticContact ND1-CG 3.5Å
140	T	95.3	Very high	88.9	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	-13.3	178.2	67.8	0	0	0	0	113.4	Y81 A111 S116 F137 T138 S142 L143 S144	Y81-T140 HydrophobicContact CE2-CG2 4.09Å; A111-T140 HydrophobicContact CB-CG2 4.14Å; S116-T140 VanDerWaalsContact CB-OG1 3.25Å; S116-T140 WeakPolarHBondContact CB-OG1 3.32Å; S116-T140 PolarHBondContact OG-O 2.58Å; S116-T140 PolarHBondContact OG-OG1 3.19Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 WeakPolarHBondContact O-CG2 3.41Å; F137-T140 PolarHBondContact O-N 2.96Å; F137-T140 PolarHBondContact O-OG1 3.48Å; T138-T140 PolarHBondContact O-N 3.12Å; T140-S142 VanDerWaalsContact C-N 3.25Å; T140-S142 PolarHBondContact O-N 3.48Å; T140-L143 PolarHBondContact O-N 2.92Å; T140-S144 PolarHBondContact O-N 3.39Å; T140-S144 PolarHBondContact O-OG 3.29Å
141	W	93.9	Very high	90.5	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-53.2	-43.1	176.9	74.9	-98.5	0	0	0	111.9	V35 F39 S116 N117 Y126 T138 H139 L143 S144 V145 F194	V35-W141 HydrophobicContact CG1-CH2 3.7Å; V35-W141 HydrophobicContact CG1-CZ2 3.85Å; V35-W141 HydrophobicContact CG2-CZ2 4.49Å; F39-W141 HydrophobicContact CE2-CH2 4.31Å; F39-W141 HydrophobicContact CE2-CZ3 4.19Å; F39-W141 HydrophobicContact CZ-CH2 4.2Å; F39-W141 AromaticContact CZ-CZ3 3.95Å; F39-W141 HydrophobicContact CZ-CZ3 3.95Å; S116-W141 WeakPolarHBondContact OG-CA 3.46Å; S116-W141 PolarHBondContact OG-N 3.48Å; N117-W141 HydrophobicContact CB-CB 4.23Å; Y126-W141 AromaticContact CE2-CD1 3.5Å; Y126-W141 VanDerWaalsContact CE2-CD1 3.5Å; Y126-W141 HydrophobicContact CE2-CG 4.49Å; Y126-W141 AromaticContact CE2-NE1 3.23Å; Y126-W141 AromaticContact CZ-NE1 3.41Å; Y126-W141 PolarHBondContact OH-NE1 2.97Å; T138-W141 PolarHBondContact O-N 3.31Å; H139-W141 PolarHBondContact O-N 3.08Å; H139-W141 VanDerWaalsContact O-N 3.17Å; W141-L143 VanDerWaalsContact C-N 3.33Å; W141-L143 PolarHBondContact O-N 3.34Å; W141-S144 WeakPolarHBondContact O-CB 3.37Å; W141-S144 PolarHBondContact O-N 2.97Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CZ3-CG2 4.36Å; W141-V145 WeakPolarHBondContact O-CG2 3.42Å; W141-V145 PolarHBondContact O-N 3.3Å; W141-F194 AromaticContact CD2-CE1 3.84Å; W141-F194 HydrophobicContact CD2-CE1 3.84Å; W141-F194 AromaticContact CE2-CE1 3.38Å; W141-F194 AromaticContact CE2-CZ 3.71Å; W141-F194 HydrophobicContact CE3-CD1 4.47Å; W141-F194 HydrophobicContact CE3-CE1 4.1Å; W141-F194 HydrophobicContact CH2-CD1 4.31Å; W141-F194 AromaticContact CH2-CE1 3.63Å; W141-F194 HydrophobicContact CH2-CE1 3.63Å; W141-F194 HydrophobicContact CH2-CE2 4.26Å; W141-F194 AromaticContact CH2-CZ 3.58Å; W141-F194 HydrophobicContact CH2-CZ 3.58Å; W141-F194 HydrophobicContact CZ2-CD1 4.36Å; W141-F194 AromaticContact CZ2-CE1 3.3Å; W141-F194 HydrophobicContact CZ2-CE1 3.3Å; W141-F194 HydrophobicContact CZ2-CE2 4.18Å; W141-F194 AromaticContact CZ2-CZ 3.17Å; W141-F194 HydrophobicContact CZ2-CZ 3.17Å; W141-F194 HydrophobicContact CZ3-CD1 4.35Å; W141-F194 HydrophobicContact CZ3-CE1 4Å; W141-F194 HydrophobicContact CZ3-CZ 4.39Å; W141-F194 WeakPolarHBondContact CZ3-O 3.48Å; W141-F194 AromaticContact NE1-CE1 3.85Å
142	S	94.6	Very high	92	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-68.7	-37.3	-174.9	69.7	0	0	0	0	110.9	F39 H139 T140 V145 E146 Y299	F39-S142 WeakPolarHBondContact CE1-O 3.48Å; H139-S142 PolarHBondContact O-OG 3.38Å; T140-S142 VanDerWaalsContact C-N 3.25Å; T140-S142 PolarHBondContact O-N 3.48Å; S142-V145 PolarHBondContact O-N 2.88Å; S142-E146 WeakPolarHBondContact O-CB 3.32Å; S142-E146 PolarHBondContact O-N 3.01Å; S142-Y299 WeakPolarHBondContact OG-CE1 3.32Å; S142-Y299 VanDerWaalsContact OG-CZ 3.23Å; S142-Y299 PolarHBondContact OG-OH 3.16Å
143	L	96	Very high	93.4	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-70.7	-36.5	176.5	-169.7	67.1	0	0	0	111.2	I77 Y81 F114 T140 W141 E146 V147 Y296 L300	I77-L143 HydrophobicContact CG2-CD1 4.36Å; I77-L143 HydrophobicContact CG2-CD2 4.3Å; Y81-L143 HydrophobicContact CD2-CD2 3.32Å; Y81-L143 HydrophobicContact CE2-CD2 3.43Å; Y81-L143 VanDerWaalsContact CE2-CD2 3.43Å; Y81-L143 HydrophobicContact CG-CD2 4.01Å; F114-L143 HydrophobicContact CE1-CD2 3.95Å; F114-L143 HydrophobicContact CE1-CG 4.05Å; T140-L143 PolarHBondContact O-N 2.92Å; W141-L143 VanDerWaalsContact C-N 3.33Å; W141-L143 PolarHBondContact O-N 3.34Å; L143-E146 PolarHBondContact O-N 2.86Å; L143-V147 HydrophobicContact CG-CG2 4.4Å; L143-V147 WeakPolarHBondContact O-CB 3.48Å; L143-V147 WeakPolarHBondContact O-CG2 3.39Å; L143-V147 PolarHBondContact O-N 3.27Å; L143-Y296 HydrophobicContact CD1-CE2 4.14Å; L143-Y296 HydrophobicContact CD2-CE2 4.21Å; L143-L300 HydrophobicContact CD2-CD2 4.13Å
144	S	96.9	Very high	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-45.8	171.5	-64.6	0	0	0	0	111.1	F114 S116 N117 T140 W141 E146 V147 Q148	F114-S144 VanDerWaalsContact C-OG 3.27Å; F114-S144 WeakPolarHBondContact CA-OG 3.35Å; F114-S144 WeakPolarHBondContact O-CB 3.44Å; S116-S144 PolarHBondContact N-OG 3.33Å; S116-S144 PolarHBondContact OG-OG 3.32Å; N117-S144 VanDerWaalsContact OD1-CB 3.27Å; N117-S144 WeakPolarHBondContact OD1-CB 3.29Å; T140-S144 PolarHBondContact O-N 3.39Å; T140-S144 PolarHBondContact O-OG 3.29Å; W141-S144 WeakPolarHBondContact O-CB 3.37Å; W141-S144 PolarHBondContact O-N 2.97Å; S144-E146 VanDerWaalsContact C-N 3.33Å; S144-E146 PolarHBondContact O-N 3.49Å; S144-V147 PolarHBondContact O-N 3.36Å; S144-Q148 VanDerWaalsContact O-CB 3.29Å; S144-Q148 WeakPolarHBondContact O-CB 3.48Å; S144-Q148 WeakPolarHBondContact O-CG 3.27Å; S144-Q148 PolarHBondContact O-N 3.38Å
145	V	96.4	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-46.4	174.5	170.3	0	0	0	0	111.4	F39 N117 W141 S142 F149 V197 R200 F204	F39-V145 HydrophobicContact CE1-CB 4.45Å; F39-V145 HydrophobicContact CE1-CG1 4.24Å; F39-V145 HydrophobicContact CE2-CG1 4.16Å; F39-V145 HydrophobicContact CZ-CB 4Å; F39-V145 HydrophobicContact CZ-CG1 3.78Å; N117-V145 HydrophobicContact CB-CG2 3.75Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CZ3-CG2 4.36Å; W141-V145 WeakPolarHBondContact O-CG2 3.42Å; W141-V145 PolarHBondContact O-N 3.3Å; S142-V145 PolarHBondContact O-N 2.88Å; V145-F149 WeakPolarHBondContact O-CB 3.31Å; V145-F149 PolarHBondContact O-N 3.11Å; V145-V197 HydrophobicContact CB-CG2 4.26Å; V145-V197 HydrophobicContact CG1-CG2 4.18Å; V145-V197 HydrophobicContact CG2-CG2 4.13Å; V145-R200 HydrophobicContact CG1-CB 4.19Å; V145-F204 HydrophobicContact CG1-CE2 4.02Å; V145-F204 HydrophobicContact CG1-CZ 4.13Å
146	E	96.9	Very high	95.3	Very high	27 Å²	27	21.3 Å²	21.3	13%	0.126	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-46.3	179.7	176.8	170	141.3	0	0	112.4	F39 S42 S142 L143 S144 F149 Y150 F204	F39-E146 HydrophobicContact CE1-CB 4.41Å; S42-E146 PolarHBondContact OG-OE1 3.14Å; S42-E146 PolarHBondContact OG-OE2 2.93Å; S142-E146 WeakPolarHBondContact O-CB 3.32Å; S142-E146 PolarHBondContact O-N 3.01Å; L143-E146 PolarHBondContact O-N 2.86Å; S144-E146 VanDerWaalsContact C-N 3.33Å; S144-E146 PolarHBondContact O-N 3.49Å; E146-F149 WeakPolarHBondContact O-CB 3.36Å; E146-F149 PolarHBondContact O-N 2.96Å; E146-Y150 HydrophobicContact CG-CD2 4.15Å; E146-Y150 HydrophobicContact CG-CE1 3.81Å; E146-Y150 HydrophobicContact CG-CE2 3.38Å; E146-Y150 VanDerWaalsContact CG-OH 3.31Å; E146-Y150 WeakPolarHBondContact CG-OH 3.46Å; E146-Y150 WeakPolarHBondContact O-CD1 3.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.28Å; E146-Y150 PolarHBondContact O-N 3.3Å; E146-Y150 WeakPolarHBondContact OE1-CE2 3.43Å; E146-Y150 PolarHBondContact OE1-OH 2.97Å; E146-F204 HydrophobicContact CB-CZ 4.48Å; E146-F204 HydrophobicContact CG-CE1 4.48Å
147	V	97.1	Very high	95.3	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.067	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-40.8	179.1	171.2	0	0	0	0	111.3	I77 F114 L143 S144 F149 Y150 L151	I77-V147 HydrophobicContact CD1-CG2 4.27Å; I77-V147 HydrophobicContact CG2-CG2 4.35Å; F114-V147 HydrophobicContact CB-CG1 4.41Å; F114-V147 HydrophobicContact CD1-CB 3.96Å; F114-V147 HydrophobicContact CD1-CG1 4.21Å; F114-V147 HydrophobicContact CD1-CG2 3.84Å; F114-V147 HydrophobicContact CD2-CG1 4.13Å; F114-V147 HydrophobicContact CE1-CB 4.27Å; F114-V147 HydrophobicContact CE1-CG2 3.65Å; F114-V147 HydrophobicContact CE2-CG1 4.43Å; F114-V147 HydrophobicContact CG-CB 4.21Å; F114-V147 HydrophobicContact CG-CG1 4Å; F114-V147 HydrophobicContact CG-CG2 4.46Å; F114-V147 HydrophobicContact CZ-CG2 4.12Å; L143-V147 HydrophobicContact CG-CG2 4.4Å; L143-V147 WeakPolarHBondContact O-CB 3.48Å; L143-V147 WeakPolarHBondContact O-CG2 3.39Å; L143-V147 PolarHBondContact O-N 3.27Å; S144-V147 PolarHBondContact O-N 3.36Å; V147-F149 VanDerWaalsContact C-N 3.33Å; V147-F149 PolarHBondContact O-N 2.91Å; V147-Y150 WeakPolarHBondContact O-CA 3.18Å; V147-Y150 WeakPolarHBondContact O-CB 3.32Å; V147-Y150 PolarHBondContact O-N 3.4Å; V147-Y150 VanDerWaalsContact O-N 3.07Å; V147-L151 WeakPolarHBondContact O-CG 3.49Å; V147-L151 PolarHBondContact O-N 3.37Å
148	Q	97	Very high	95.3	Very high	46 Å²	46	22.5 Å²	22.5	22%	0.215	12%	0.115	C	C	.	.	H	α-helix	trans	-61.9	-40.9	174.3	-72.3	171.2	11.3	0	0	111.4	F114 N117 S144 Y150 L151 I152 V197	F114-Q148 PolarHBondContact O-NE2 3.09Å; N117-Q148 PolarHBondContact ND2-OE1 2.87Å; N117-Q148 PolarHBondContact OD1-NE2 2.95Å; N117-Q148 PolarHBondContact OD1-OE1 2.52Å; S144-Q148 VanDerWaalsContact O-CB 3.29Å; S144-Q148 WeakPolarHBondContact O-CB 3.48Å; S144-Q148 WeakPolarHBondContact O-CG 3.27Å; S144-Q148 PolarHBondContact O-N 3.38Å; Q148-Y150 VanDerWaalsContact C-N 3.33Å; Q148-Y150 PolarHBondContact O-N 3.47Å; Q148-L151 WeakPolarHBondContact O-CB 3.4Å; Q148-L151 PolarHBondContact O-N 2.96Å; Q148-I152 PolarHBondContact O-N 3.03Å; Q148-V197 HydrophobicContact CB-CG1 4.48Å; Q148-V197 HydrophobicContact CB-CG2 3.84Å; Q148-V197 HydrophobicContact CG-CG2 4.49Å
149	F	97.4	Very high	95.4	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-41.2	170.6	170.9	-101.6	0	0	0	112	M46 V145 E146 V147 L151 I152 I153 F204 I208	M46-F149 HydrophobicContact CG-CE1 4.36Å; V145-F149 WeakPolarHBondContact O-CB 3.31Å; V145-F149 PolarHBondContact O-N 3.11Å; E146-F149 WeakPolarHBondContact O-CB 3.36Å; E146-F149 PolarHBondContact O-N 2.96Å; V147-F149 VanDerWaalsContact C-N 3.33Å; V147-F149 PolarHBondContact O-N 2.91Å; F149-L151 VanDerWaalsContact C-N 3.26Å; F149-L151 PolarHBondContact O-N 3.42Å; F149-I152 PolarHBondContact O-N 2.93Å; F149-I152 VanDerWaalsContact O-N 3.12Å; F149-I153 HydrophobicContact CD1-CG2 4.46Å; F149-I153 HydrophobicContact CE1-CB 4.04Å; F149-I153 HydrophobicContact CE1-CG1 4.18Å; F149-I153 HydrophobicContact CE1-CG2 4.04Å; F149-I153 HydrophobicContact CE2-CB 4Å; F149-I153 HydrophobicContact CE2-CD1 3.97Å; F149-I153 HydrophobicContact CE2-CG1 4.13Å; F149-I153 HydrophobicContact CZ-CB 3.72Å; F149-I153 HydrophobicContact CZ-CD1 3.79Å; F149-I153 HydrophobicContact CZ-CG1 3.59Å; F149-I153 HydrophobicContact CZ-CG2 4.24Å; F149-I153 PolarHBondContact O-N 3.34Å; F149-F204 HydrophobicContact CB-CE1 4.27Å; F149-F204 HydrophobicContact CB-CE2 4.4Å; F149-F204 HydrophobicContact CB-CZ 4.21Å; F149-F204 HydrophobicContact CD1-CB 4.3Å; F149-F204 AromaticContact CD1-CD1 3.35Å; F149-F204 HydrophobicContact CD1-CD1 3.35Å; F149-F204 AromaticContact CD1-CE1 3.7Å; F149-F204 HydrophobicContact CD1-CE1 3.7Å; F149-F204 AromaticContact CD1-CG 3.84Å; F149-F204 HydrophobicContact CD1-CG 3.84Å; F149-F204 HydrophobicContact CD1-CZ 4.43Å; F149-F204 HydrophobicContact CD2-CB 4.1Å; F149-F204 HydrophobicContact CD2-CD1 4.35Å; F149-F204 HydrophobicContact CD2-CD2 4.24Å; F149-F204 AromaticContact CD2-CG 3.99Å; F149-F204 HydrophobicContact CD2-CG 3.99Å; F149-F204 HydrophobicContact CE1-CB 3.86Å; F149-F204 AromaticContact CE1-CD1 3.51Å; F149-F204 HydrophobicContact CE1-CD1 3.51Å; F149-F204 HydrophobicContact CE1-CE1 4.29Å; F149-F204 AromaticContact CE1-CG 3.89Å; F149-F204 HydrophobicContact CE1-CG 3.89Å; F149-F204 HydrophobicContact CE2-CB 3.63Å; F149-F204 HydrophobicContact CE2-CD1 4.46Å; F149-F204 HydrophobicContact CE2-CG 4.02Å; F149-F204 HydrophobicContact CG-CB 4.41Å; F149-F204 AromaticContact CG-CD1 3.81Å; F149-F204 HydrophobicContact CG-CD1 3.81Å; F149-F204 HydrophobicContact CG-CD2 4.22Å; F149-F204 HydrophobicContact CG-CE1 4.05Å; F149-F204 HydrophobicContact CG-CE2 4.44Å; F149-F204 AromaticContact CG-CG 3.9Å; F149-F204 HydrophobicContact CG-CG 3.9Å; F149-F204 HydrophobicContact CG-CZ 4.35Å; F149-F204 HydrophobicContact CZ-CB 3.5Å; F149-F204 VanDerWaalsContact CZ-CB 3.5Å; F149-F204 HydrophobicContact CZ-CD1 4.08Å; F149-F204 AromaticContact CZ-CG 3.97Å; F149-F204 HydrophobicContact CZ-CG 3.97Å; F149-I208 HydrophobicContact CZ-CD1 4.12Å
150	Y	96.9	Very high	95.5	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.043	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-31.8	176.1	-63.4	-18.8	0	0	0	113.4	S42 M46 F69 Y70 I77 E146 V147 Q148 I152 P154	S42-Y150 WeakPolarHBondContact CB-OH 3.18Å; S42-Y150 PolarHBondContact OG-OH 3.36Å; S42-Y150 VanDerWaalsContact OG-OH 3.11Å; M46-Y150 HydrophobicContact CE-CE1 3.67Å; M46-Y150 VanDerWaalsContact CE-OH 3.27Å; M46-Y150 WeakPolarHBondContact CE-OH 3.21Å; M46-Y150 HydrophobicContact CG-CD1 3.58Å; M46-Y150 HydrophobicContact CG-CE1 3.26Å; M46-Y150 HydrophobicContact SD-CD1 3.86Å; M46-Y150 HydrophobicContact SD-CE1 3.51Å; M46-Y150 VanDerWaalsContact SD-CE1 3.51Å; F69-Y150 WeakPolarHBondContact CE1-O 3.33Å; Y70-Y150 WeakPolarHBondContact CE1-O 3.3Å; I77-Y150 HydrophobicContact CD1-CD2 3.96Å; I77-Y150 HydrophobicContact CD1-CE2 3.65Å; E146-Y150 HydrophobicContact CG-CD2 4.15Å; E146-Y150 HydrophobicContact CG-CE1 3.81Å; E146-Y150 HydrophobicContact CG-CE2 3.38Å; E146-Y150 VanDerWaalsContact CG-OH 3.31Å; E146-Y150 WeakPolarHBondContact CG-OH 3.46Å; E146-Y150 WeakPolarHBondContact O-CD1 3.38Å; E146-Y150 WeakPolarHBondContact O-CD2 3.28Å; E146-Y150 PolarHBondContact O-N 3.3Å; E146-Y150 WeakPolarHBondContact OE1-CE2 3.43Å; E146-Y150 PolarHBondContact OE1-OH 2.97Å; V147-Y150 WeakPolarHBondContact O-CA 3.18Å; V147-Y150 WeakPolarHBondContact O-CB 3.32Å; V147-Y150 PolarHBondContact O-N 3.4Å; V147-Y150 VanDerWaalsContact O-N 3.07Å; Q148-Y150 VanDerWaalsContact C-N 3.33Å; Q148-Y150 PolarHBondContact O-N 3.47Å; Y150-I152 VanDerWaalsContact C-N 3.33Å; Y150-P154 VanDerWaalsContact O-CD 3.23Å; Y150-P154 WeakPolarHBondContact O-CD 3.29Å
151	L	96.2	Very high	95.2	Very high	93 Å²	93	30.7 Å²	30.7	49%	0.487	16%	0.157	S	C	.	.	H	α-helix	trans	-64.3	-39.5	174.6	-66.6	174.1	0	0	0	111.3	Y70 V147 Q148 F149	Y70-L151 HydrophobicContact CE1-CD2 4.46Å; Y70-L151 PolarHBondContact OH-O 2.9Å; V147-L151 WeakPolarHBondContact O-CG 3.49Å; V147-L151 PolarHBondContact O-N 3.37Å; Q148-L151 WeakPolarHBondContact O-CB 3.4Å; Q148-L151 PolarHBondContact O-N 2.96Å; F149-L151 VanDerWaalsContact C-N 3.26Å; F149-L151 PolarHBondContact O-N 3.42Å
152	I	95.9	Very high	94.8	Very high	70 Å²	70	38.3 Å²	38.3	36%	0.359	19%	0.186	S	C	.	.	H	α-helix	trans	-89.4	-36.2	-170.8	-54.7	168.9	0	0	0	112.3	Q148 F149 Y150 P154 L155 I156	Q148-I152 PolarHBondContact O-N 3.03Å; F149-I152 PolarHBondContact O-N 2.93Å; F149-I152 VanDerWaalsContact O-N 3.12Å; Y150-I152 VanDerWaalsContact C-N 3.33Å; I152-P154 VanDerWaalsContact C-CD 3.43Å; I152-L155 PolarHBondContact O-N 2.97Å; I152-I156 HydrophobicContact CG2-CD1 3.58Å; I152-I156 HydrophobicContact CG2-CG1 4Å; I152-I156 PolarHBondContact O-N 3.37Å
153	I	96.5	Very high	94.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-34.1	-168.2	-168.5	58.1	0	0	0	116.1	L50 F69 F149 L155 I156 Y157 F173 I208	L50-I153 HydrophobicContact CD1-CG1 4.15Å; L50-I153 HydrophobicContact CD1-CG2 4.44Å; F69-I153 HydrophobicContact CE1-CG2 4.45Å; F69-I153 HydrophobicContact CZ-CG2 4.07Å; F149-I153 HydrophobicContact CD1-CG2 4.46Å; F149-I153 HydrophobicContact CE1-CB 4.04Å; F149-I153 HydrophobicContact CE1-CG1 4.18Å; F149-I153 HydrophobicContact CE1-CG2 4.04Å; F149-I153 HydrophobicContact CE2-CB 4Å; F149-I153 HydrophobicContact CE2-CD1 3.97Å; F149-I153 HydrophobicContact CE2-CG1 4.13Å; F149-I153 HydrophobicContact CZ-CB 3.72Å; F149-I153 HydrophobicContact CZ-CD1 3.79Å; F149-I153 HydrophobicContact CZ-CG1 3.59Å; F149-I153 HydrophobicContact CZ-CG2 4.24Å; F149-I153 PolarHBondContact O-N 3.34Å; I153-L155 VanDerWaalsContact C-N 3.26Å; I153-L155 PolarHBondContact O-N 2.95Å; I153-I156 HydrophobicContact CD1-CB 4.32Å; I153-I156 HydrophobicContact CD1-CG2 4.41Å; I153-I156 PolarHBondContact O-N 2.86Å; I153-Y157 WeakPolarHBondContact O-CB 3.33Å; I153-Y157 PolarHBondContact O-N 3.35Å; I153-F173 HydrophobicContact CD1-CE1 4.19Å; I153-I208 HydrophobicContact CD1-CD1 3.64Å; I153-I208 HydrophobicContact CG1-CD1 4.26Å
154	P	95.1	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-34	178.5	-23.1	36.8	0	0	0	112.6	L50 I66 F69 Y70 Y150 I152 L158	L50-P154 HydrophobicContact CD2-CB 4.14Å; L50-P154 HydrophobicContact CD2-CG 4.4Å; I66-P154 HydrophobicContact CG1-CB 4.24Å; F69-P154 HydrophobicContact CD1-CB 4.34Å; F69-P154 HydrophobicContact CD1-CG 3.26Å; F69-P154 HydrophobicContact CE1-CG 3.41Å; F69-P154 VanDerWaalsContact CE1-CG 3.41Å; F69-P154 HydrophobicContact CG-CG 3.87Å; F69-P154 HydrophobicContact CZ-CG 4.1Å; Y70-P154 HydrophobicContact CE1-CG 3.82Å; Y150-P154 VanDerWaalsContact O-CD 3.23Å; Y150-P154 WeakPolarHBondContact O-CD 3.29Å; I152-P154 VanDerWaalsContact C-CD 3.43Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 VanDerWaalsContact O-CG 3.29Å; P154-L158 WeakPolarHBondContact O-CG 3.3Å; P154-L158 PolarHBondContact O-N 2.75Å
155	L	94.8	Very high	94.3	Very high	99 Å²	99	48.8 Å²	48.8	52%	0.518	25%	0.249	S	C	.	.	H	α-helix	trans	-70	-50	178.4	-61.6	174.5	0	0	0	110.7	I66 I152 I153 Y157 L158 L159	I66-L155 HydrophobicContact CD1-CD2 3.65Å; I152-L155 PolarHBondContact O-N 2.97Å; I153-L155 VanDerWaalsContact C-N 3.26Å; I153-L155 PolarHBondContact O-N 2.95Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 2.79Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 PolarHBondContact O-N 2.89Å
156	I	95.3	Very high	93.9	Very high	43 Å²	43	55.3 Å²	55.3	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-45.8	175.8	-66	175.8	0	0	0	110.2	I152 I153 L159 I160 F173 L176	I152-I156 HydrophobicContact CG2-CD1 3.58Å; I152-I156 HydrophobicContact CG2-CG1 4Å; I152-I156 PolarHBondContact O-N 3.37Å; I153-I156 HydrophobicContact CD1-CB 4.32Å; I153-I156 HydrophobicContact CD1-CG2 4.41Å; I153-I156 PolarHBondContact O-N 2.86Å; I156-L159 PolarHBondContact O-N 3.29Å; I156-I160 HydrophobicContact CG2-CD1 3.75Å; I156-I160 WeakPolarHBondContact O-CG1 3.47Å; I156-I160 PolarHBondContact O-N 3.07Å; I156-F173 HydrophobicContact CG2-CE1 4.16Å; I156-L176 HydrophobicContact CD1-CD2 4.36Å; I156-L176 HydrophobicContact CG2-CD2 4.12Å
157	Y	93.9	Very high	93.5	Very high	11 Å²	11	63.7 Å²	63.7	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-47.6	-179.3	-178.9	-91	0	0	0	112.2	L50 R51 I153 L155 L159 I160 I161 F173	L50-Y157 HydrophobicContact CB-CD1 3.84Å; L50-Y157 HydrophobicContact CB-CD2 4.23Å; L50-Y157 HydrophobicContact CB-CE1 3.84Å; L50-Y157 HydrophobicContact CB-CE2 4.24Å; L50-Y157 HydrophobicContact CB-CG 4.04Å; L50-Y157 HydrophobicContact CD1-CD1 4.29Å; L50-Y157 HydrophobicContact CD1-CD2 4.13Å; L50-Y157 HydrophobicContact CD1-CG 3.81Å; L50-Y157 HydrophobicContact CD2-CD1 4.42Å; L50-Y157 HydrophobicContact CG-CD1 4.41Å; L50-Y157 HydrophobicContact CG-CG 4.4Å; R51-Y157 HydrophobicContact CG-CE2 4.18Å; R51-Y157 WeakPolarHBondContact CG-OH 3.5Å; I153-Y157 WeakPolarHBondContact O-CB 3.33Å; I153-Y157 PolarHBondContact O-N 3.35Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.5Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 3.42Å; Y157-I160 PolarHBondContact O-N 2.78Å; Y157-I161 HydrophobicContact CD1-CG2 4.35Å; Y157-I161 HydrophobicContact CE1-CB 4.47Å; Y157-I161 HydrophobicContact CE1-CD1 4.07Å; Y157-I161 HydrophobicContact CE1-CG2 4.11Å; Y157-I161 VanDerWaalsContact O-CG2 3.25Å; Y157-I161 WeakPolarHBondContact O-CG2 3.39Å; Y157-I161 PolarHBondContact O-N 3Å; Y157-I161 WeakPolarHBondContact OH-CD1 3.46Å; Y157-F173 HydrophobicContact CD2-CZ 4.26Å
158	L	92.1	Very high	93.4	Very high	17 Å²	17	65.2 Å²	65.2	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-39.6	177.4	-78	176.3	0	0	0	112.3	N62 F65 I66 P154 L155 R162	N62-L158 HydrophobicContact CB-CD1 4.23Å; F65-L158 HydrophobicContact CD1-CD1 3.82Å; F65-L158 HydrophobicContact CD1-CD2 4Å; F65-L158 HydrophobicContact CD1-CG 4.08Å; F65-L158 HydrophobicContact CE1-CD1 4.13Å; F65-L158 HydrophobicContact CE1-CD2 3.9Å; F65-L158 HydrophobicContact CE1-CG 3.92Å; F65-L158 HydrophobicContact CZ-CD2 4.43Å; I66-L158 HydrophobicContact CD1-CD1 3.85Å; I66-L158 HydrophobicContact CG1-CD1 3.78Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 VanDerWaalsContact O-CG 3.29Å; P154-L158 WeakPolarHBondContact O-CG 3.3Å; P154-L158 PolarHBondContact O-N 2.75Å; L155-L158 PolarHBondContact O-N 2.79Å; L158-R162 WeakPolarHBondContact O-CB 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.45Å; L158-R162 PolarHBondContact O-N 3.29Å
159	L	93.8	Very high	93.2	Very high	114 Å²	114	64 Å²	64	60%	0.597	32%	0.32	S	S	*	.	H	α-helix	trans	-58.8	-53.7	175.6	179.6	64.2	0	0	0	110.2	L155 I156 Y157 T163	L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 PolarHBondContact O-N 2.89Å; I156-L159 PolarHBondContact O-N 3.29Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 3.42Å; L159-T163 HydrophobicContact CD1-CG2 4.02Å; L159-T163 WeakPolarHBondContact O-CB 3.36Å; L159-T163 VanDerWaalsContact O-CG2 3.32Å; L159-T163 WeakPolarHBondContact O-CG2 3.42Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 VanDerWaalsContact O-N 3.12Å; L159-T163 PolarHBondContact O-OG1 3.12Å
160	I	93.9	Very high	93.1	Very high	18 Å²	18	66.6 Å²	66.6	9%	0.092	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-50.3	-177.8	-67.6	168.8	0	0	0	111.4	I156 Y157 R162 T163 L164 C172 F173	I156-I160 HydrophobicContact CG2-CD1 3.75Å; I156-I160 WeakPolarHBondContact O-CG1 3.47Å; I156-I160 PolarHBondContact O-N 3.07Å; Y157-I160 PolarHBondContact O-N 2.78Å; I160-R162 VanDerWaalsContact C-N 3.29Å; I160-R162 PolarHBondContact O-N 3.36Å; I160-T163 PolarHBondContact O-N 3.39Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 PolarHBondContact O-N 3.07Å; I160-C172 HydrophobicContact CD1-CB 4.07Å; I160-C172 HydrophobicContact CG1-CB 4.36Å; I160-C172 HydrophobicContact CG2-CB 4.22Å; I160-F173 HydrophobicContact CD1-CD1 4.26Å; I160-F173 HydrophobicContact CD1-CD2 4.43Å; I160-F173 HydrophobicContact CD1-CE1 3.79Å; I160-F173 HydrophobicContact CD1-CE2 3.98Å; I160-F173 HydrophobicContact CD1-CZ 3.63Å; I160-F173 HydrophobicContact CG2-CE2 4.44Å
161	I	88.5	Confident	93.1	Very high	55 Å²	55	70.9 Å²	70.9	28%	0.282	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-26.9	-172.5	-165.6	157.1	0	0	0	113.5	Y157	Y157-I161 HydrophobicContact CD1-CG2 4.35Å; Y157-I161 HydrophobicContact CE1-CB 4.47Å; Y157-I161 HydrophobicContact CE1-CD1 4.07Å; Y157-I161 HydrophobicContact CE1-CG2 4.11Å; Y157-I161 VanDerWaalsContact O-CG2 3.25Å; Y157-I161 WeakPolarHBondContact O-CG2 3.39Å; Y157-I161 PolarHBondContact O-N 3Å; Y157-I161 WeakPolarHBondContact OH-CD1 3.46Å
162	R	85.8	Confident	93.1	Very high	165 Å²	165	67.8 Å²	67.8	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-91.1	-26.9	179.8	-70.7	-157.6	170.3	169.1	8.3	114.4	N62 L158 I160	N62-R162 VanDerWaalsContact CG-NH1 3.26Å; N62-R162 PolarHBondContact ND2-NH1 2.82Å; N62-R162 PolarHBondContact OD1-NH1 3.38Å; N62-R162 PolarHBondContact OD1-NH2 3.34Å; L158-R162 WeakPolarHBondContact O-CB 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.45Å; L158-R162 PolarHBondContact O-N 3.29Å; I160-R162 VanDerWaalsContact C-N 3.29Å; I160-R162 PolarHBondContact O-N 3.36Å
163	T	91.2	Very high	93.2	Very high	90 Å²	90	64.6 Å²	64.6	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-94.3	-26.4	-177.8	58.2	0	0	0	0	112.5	L159 I160	L159-T163 HydrophobicContact CD1-CG2 4.02Å; L159-T163 WeakPolarHBondContact O-CB 3.36Å; L159-T163 VanDerWaalsContact O-CG2 3.32Å; L159-T163 WeakPolarHBondContact O-CG2 3.42Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 VanDerWaalsContact O-N 3.12Å; L159-T163 PolarHBondContact O-OG1 3.12Å; I160-T163 PolarHBondContact O-N 3.39Å
164	L	93.8	Very high	93.2	Very high	64 Å²	64	67 Å²	67	34%	0.335	34%	0.341	S	S	.	.	S	Bend	trans	-122.1	144.4	-170.4	-58.8	176.7	0	0	0	112.6	I160 C168 H169 C172	I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 PolarHBondContact O-N 3.07Å; L164-C168 HydrophobicContact CB-CB 4.19Å; L164-H169 PolarHBondContact O-NE2 3.23Å; L164-H169 VanDerWaalsContact O-NE2 3.08Å; L164-C172 WeakPolarHBondContact CD1-SG 3.37Å
165	P	91.4	Very high	93.3	Very high	83 Å²	83	71.8 Å²	71.8	54%	0.539	37%	0.366	S	S	.	.			trans	-64.9	153.4	176.5	29	-34.9	0	0	0	110.7	K167 C168 H169	P165-K167 PolarHBondContact O-N 2.95Å; P165-C168 HydrophobicContact CG-CB 4.35Å; P165-C168 WeakPolarHBondContact O-CB 3.39Å; P165-C168 PolarHBondContact O-N 3.4Å; P165-H169 PolarHBondContact O-CD2 2.95Å
166	Q	88.2	Confident	93.5	Very high	138 Å²	138	69.4 Å²	69.4	65%	0.645	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.5	-176.1	-171.7	178.7	-10.7	0	0	114.1	C168 H169	Q166-C168 PolarHBondContact O-N 2.79Å; Q166-H169 PolarHBondContact O-N 2.96Å
167	K	89.6	Confident	93.6	Very high	202 Å²	202	67.8 Å²	67.8	88%	0.878	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.7	178.3	-60.2	-179.1	-177.9	179.2	0	113.1	P165	P165-K167 PolarHBondContact O-N 2.95Å
168	C	94	Very high	93.8	Very high	43 Å²	43	72 Å²	72	29%	0.291	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-88.2	-13.5	-179.1	-65.7	0	0	0	0	113.3	L164 P165 Q166 I170 L171 C172	L164-C168 HydrophobicContact CB-CB 4.19Å; P165-C168 HydrophobicContact CG-CB 4.35Å; P165-C168 WeakPolarHBondContact O-CB 3.39Å; P165-C168 PolarHBondContact O-N 3.4Å; Q166-C168 PolarHBondContact O-N 2.79Å; C168-I170 PolarHBondContact O-N 2.92Å; C168-L171 WeakPolarHBondContact O-CB 3.48Å; C168-L171 PolarHBondContact O-N 3.4Å; C168-L171 VanDerWaalsContact O-N 3.12Å; C168-C172 PolarHBondContact O-N 3.32Å; C168-C172 PolarHBondContact O-SG 3.25Å
169	H	93.6	Very high	94.1	Very high	20 Å²	20	78.3 Å²	78.3	9%	0.093	40%	0.397	C	S	.	.	H	α-helix	trans	-59.4	-44.9	-172.2	-64.3	175.4	0	0	0	112.4	L164 P165 Q166 C172 F173 I212	L164-H169 PolarHBondContact O-NE2 3.23Å; L164-H169 VanDerWaalsContact O-NE2 3.08Å; P165-H169 PolarHBondContact O-CD2 2.95Å; Q166-H169 PolarHBondContact O-N 2.96Å; H169-C172 PolarHBondContact O-N 3.4Å; H169-F173 VanDerWaalsContact O-CD2 3.22Å; H169-F173 WeakPolarHBondContact O-CD2 3.34Å; H169-F173 PolarHBondContact O-N 3.44Å; H169-F173 VanDerWaalsContact O-N 3.13Å; H169-I212 HydrophobicContact CB-CD1 4.27Å
170	I	94.8	Very high	94.2	Very high	61 Å²	61	73.1 Å²	73.1	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-48.8	176.5	-64.2	174.7	0	0	0	110.1	C168 C172 F173 T174 I209 I212 V213	C168-I170 PolarHBondContact O-N 2.92Å; I170-C172 VanDerWaalsContact C-N 3.3Å; I170-C172 PolarHBondContact O-N 2.88Å; I170-F173 PolarHBondContact O-N 3.3Å; I170-T174 WeakPolarHBondContact O-CB 3.23Å; I170-T174 PolarHBondContact O-N 2.88Å; I170-T174 PolarHBondContact O-OG1 3.14Å; I170-I209 HydrophobicContact CG2-CG2 4.17Å; I170-I212 HydrophobicContact CD1-CG2 4.06Å; I170-I212 HydrophobicContact CG1-CB 4.32Å; I170-I212 HydrophobicContact CG1-CG2 3.68Å; I170-V213 HydrophobicContact CD1-CG2 3.83Å
171	L	96.2	Very high	94.4	Very high	101 Å²	101	75 Å²	75	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-43.7	179.6	179.1	61.9	0	0	0	111.7	C168 T174 I175	C168-L171 WeakPolarHBondContact O-CB 3.48Å; C168-L171 PolarHBondContact O-N 3.4Å; C168-L171 VanDerWaalsContact O-N 3.12Å; L171-T174 WeakPolarHBondContact O-CB 3.39Å; L171-T174 PolarHBondContact O-N 3.47Å; L171-I175 HydrophobicContact CD1-CD1 4.11Å; L171-I175 HydrophobicContact CD1-CG1 4.34Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 3.37Å
172	C	96.9	Very high	94.8	Very high	29 Å²	29	77.4 Å²	77.4	20%	0.196	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-44	179.9	-65	0	0	0	0	113.1	I160 L164 C168 H169 I170 T174 I175 L176	I160-C172 HydrophobicContact CD1-CB 4.07Å; I160-C172 HydrophobicContact CG1-CB 4.36Å; I160-C172 HydrophobicContact CG2-CB 4.22Å; L164-C172 WeakPolarHBondContact CD1-SG 3.37Å; C168-C172 PolarHBondContact O-N 3.32Å; C168-C172 PolarHBondContact O-SG 3.25Å; H169-C172 PolarHBondContact O-N 3.4Å; I170-C172 VanDerWaalsContact C-N 3.3Å; I170-C172 PolarHBondContact O-N 2.88Å; C172-T174 VanDerWaalsContact C-N 3.3Å; C172-T174 PolarHBondContact O-N 3.48Å; C172-I175 PolarHBondContact O-N 2.95Å; C172-L176 WeakPolarHBondContact O-CB 3.42Å; C172-L176 PolarHBondContact O-N 3.27Å
173	F	96.8	Very high	95.3	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.009	37%	0.374	C	S	.	.	H	α-helix	trans	-69.1	-30.8	175.7	-75.3	-66	0	0	0	112.1	I153 I156 Y157 I160 H169 I170 L176 G177 I208 I209 I212	I153-F173 HydrophobicContact CD1-CE1 4.19Å; I156-F173 HydrophobicContact CG2-CE1 4.16Å; Y157-F173 HydrophobicContact CD2-CZ 4.26Å; I160-F173 HydrophobicContact CD1-CD1 4.26Å; I160-F173 HydrophobicContact CD1-CD2 4.43Å; I160-F173 HydrophobicContact CD1-CE1 3.79Å; I160-F173 HydrophobicContact CD1-CE2 3.98Å; I160-F173 HydrophobicContact CD1-CZ 3.63Å; I160-F173 HydrophobicContact CG2-CE2 4.44Å; H169-F173 VanDerWaalsContact O-CD2 3.22Å; H169-F173 WeakPolarHBondContact O-CD2 3.34Å; H169-F173 PolarHBondContact O-N 3.44Å; H169-F173 VanDerWaalsContact O-N 3.13Å; I170-F173 PolarHBondContact O-N 3.3Å; F173-L176 HydrophobicContact CD1-CD2 4.18Å; F173-L176 HydrophobicContact CE1-CD2 4.5Å; F173-G177 PolarHBondContact O-N 3.27Å; F173-I208 HydrophobicContact CB-CG2 4.41Å; F173-I208 HydrophobicContact CD1-CB 4.46Å; F173-I208 HydrophobicContact CD1-CD1 3.9Å; F173-I208 HydrophobicContact CD1-CG2 3.87Å; F173-I208 HydrophobicContact CD2-CG2 3.58Å; F173-I208 HydrophobicContact CE1-CD1 3.74Å; F173-I208 HydrophobicContact CE1-CG2 3.99Å; F173-I208 HydrophobicContact CE2-CG2 3.71Å; F173-I208 HydrophobicContact CG-CB 4.49Å; F173-I208 HydrophobicContact CG-CG2 3.68Å; F173-I208 HydrophobicContact CZ-CD1 4.44Å; F173-I208 HydrophobicContact CZ-CG2 3.91Å; F173-I209 HydrophobicContact CB-CD1 4.29Å; F173-I209 HydrophobicContact CB-CG1 3.89Å; F173-I212 HydrophobicContact CD2-CD1 3.8Å; F173-I212 HydrophobicContact CE2-CD1 4.05Å
174	T	97.7	Very high	95.4	Very high	53 Å²	53	69.9 Å²	69.9	33%	0.325	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-46.4	170.7	-60.9	0	0	0	0	111.1	I170 L171 C172 L176 G177 L178 I209	I170-T174 WeakPolarHBondContact O-CB 3.23Å; I170-T174 PolarHBondContact O-N 2.88Å; I170-T174 PolarHBondContact O-OG1 3.14Å; L171-T174 WeakPolarHBondContact O-CB 3.39Å; L171-T174 PolarHBondContact O-N 3.47Å; C172-T174 VanDerWaalsContact C-N 3.3Å; C172-T174 PolarHBondContact O-N 3.48Å; T174-L176 PolarHBondContact O-N 2.83Å; T174-G177 PolarHBondContact O-N 2.9Å; T174-L178 HydrophobicContact CG2-CD1 3.99Å; T174-L178 HydrophobicContact CG2-CG 4.33Å; T174-L178 WeakPolarHBondContact O-CB 3.34Å; T174-L178 VanDerWaalsContact O-CG 3.31Å; T174-L178 WeakPolarHBondContact O-CG 3.24Å; T174-L178 PolarHBondContact O-N 3.15Å; T174-I209 WeakPolarHBondContact OG1-CD1 3.33Å
175	I	97.9	Very high	95.3	Very high	99 Å²	99	71.6 Å²	71.6	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-45.8	176.7	-69.4	166.5	0	0	0	110.8	L171 C172 G177 L178 F179	L171-I175 HydrophobicContact CD1-CD1 4.11Å; L171-I175 HydrophobicContact CD1-CG1 4.34Å; L171-I175 HydrophobicContact CG-CD1 3.98Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.37Å; L171-I175 PolarHBondContact O-N 3.37Å; C172-I175 PolarHBondContact O-N 2.95Å; I175-G177 VanDerWaalsContact C-N 3.31Å; I175-G177 PolarHBondContact O-N 2.61Å; I175-L178 PolarHBondContact O-N 3.06Å; I175-F179 WeakPolarHBondContact O-CB 3.24Å; I175-F179 PolarHBondContact O-N 3.43Å
176	L	97.5	Very high	95.5	Very high	50 Å²	50	73.2 Å²	73.2	26%	0.262	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-43.8	176	179.1	65.8	0	0	0	111.7	I156 C172 F173 T174 S180 V201	I156-L176 HydrophobicContact CD1-CD2 4.36Å; I156-L176 HydrophobicContact CG2-CD2 4.12Å; C172-L176 WeakPolarHBondContact O-CB 3.42Å; C172-L176 PolarHBondContact O-N 3.27Å; F173-L176 HydrophobicContact CD1-CD2 4.18Å; F173-L176 HydrophobicContact CE1-CD2 4.5Å; T174-L176 PolarHBondContact O-N 2.83Å; L176-S180 WeakPolarHBondContact O-CB 3.48Å; L176-S180 PolarHBondContact O-N 2.75Å; L176-V201 HydrophobicContact CD1-CG1 4.48Å; L176-V201 HydrophobicContact CD2-CG1 4.21Å; L176-V201 HydrophobicContact CG-CG1 4.07Å
177	G	97.8	Very high	95.7	Very high	9 Å²	9	74 Å²	74	9%	0.093	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-44.9	177.1	0	0	0	0	0	112.6	F173 T174 I175 F179 S180 F181 W202	F173-G177 PolarHBondContact O-N 3.27Å; T174-G177 PolarHBondContact O-N 2.9Å; I175-G177 VanDerWaalsContact C-N 3.31Å; I175-G177 PolarHBondContact O-N 2.61Å; G177-F179 VanDerWaalsContact C-N 3.34Å; G177-F179 PolarHBondContact O-N 3.25Å; G177-S180 PolarHBondContact O-N 3.39Å; G177-F181 WeakPolarHBondContact O-CB 3.37Å; G177-F181 PolarHBondContact O-N 3.37Å; G177-W202 WeakPolarHBondContact O-CB 3.27Å
178	L	97.8	Very high	95.6	Very high	98 Å²	98	65.5 Å²	65.5	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-42	176.6	-72.8	173.7	0	0	0	111.7	T174 I175 F181 M182	T174-L178 HydrophobicContact CG2-CD1 3.99Å; T174-L178 HydrophobicContact CG2-CG 4.33Å; T174-L178 WeakPolarHBondContact O-CB 3.34Å; T174-L178 VanDerWaalsContact O-CG 3.31Å; T174-L178 WeakPolarHBondContact O-CG 3.24Å; T174-L178 PolarHBondContact O-N 3.15Å; I175-L178 PolarHBondContact O-N 3.06Å; L178-F181 PolarHBondContact O-N 3.33Å; L178-M182 WeakPolarHBondContact O-CB 3.28Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.28Å; L178-M182 PolarHBondContact O-N 2.85Å
179	F	97.8	Very high	95.3	Very high	151 Å²	151	67.2 Å²	67.2	66%	0.662	34%	0.339	S	S	*	.	H	α-helix	trans	-61.7	-45.5	176.3	-173.2	-98.6	0	0	0	111.8	I175 G177 F181 M182 Y183	I175-F179 WeakPolarHBondContact O-CB 3.24Å; I175-F179 PolarHBondContact O-N 3.43Å; G177-F179 VanDerWaalsContact C-N 3.34Å; G177-F179 PolarHBondContact O-N 3.25Å; F179-F181 PolarHBondContact O-N 3.43Å; F179-M182 PolarHBondContact O-N 2.98Å; F179-Y183 WeakPolarHBondContact O-CB 3.32Å; F179-Y183 PolarHBondContact O-N 3.32Å
180	S	97.7	Very high	94.8	Very high	5 Å²	5	73.3 Å²	73.3	4%	0.035	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-41.4	174.7	170.9	0	0	0	0	112.6	L176 G177 Y183 S184 F198 V201 W202	L176-S180 WeakPolarHBondContact O-CB 3.48Å; L176-S180 PolarHBondContact O-N 2.75Å; G177-S180 PolarHBondContact O-N 3.39Å; S180-Y183 PolarHBondContact O-N 3.3Å; S180-S184 PolarHBondContact O-N 2.9Å; S180-F198 WeakPolarHBondContact CB-O 3.36Å; S180-F198 PolarHBondContact OG-O 2.64Å; S180-V201 WeakPolarHBondContact OG-CB 3.47Å; S180-V201 PolarHBondContact OG-N 2.98Å; S180-W202 PolarHBondContact OG-N 3.2Å
181	F	97	Very high	94.1	Very high	57 Å²	57	72.5 Å²	72.5	25%	0.25	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-44.5	177.5	-177.5	-100.2	0	0	0	112	G177 L178 F179 S184 K185 W202 T264	G177-F181 WeakPolarHBondContact O-CB 3.37Å; G177-F181 PolarHBondContact O-N 3.37Å; L178-F181 PolarHBondContact O-N 3.33Å; F179-F181 PolarHBondContact O-N 3.43Å; F181-S184 WeakPolarHBondContact O-CB 3.26Å; F181-S184 PolarHBondContact O-N 2.75Å; F181-K185 HydrophobicContact CE1-CG 4.14Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CG 4.12Å; F181-K185 WeakPolarHBondContact O-CG 3.45Å; F181-K185 PolarHBondContact O-N 3.26Å; F181-K185 VanDerWaalsContact O-N 3.12Å; F181-W202 HydrophobicContact CB-CB 4.1Å; F181-W202 HydrophobicContact CB-CG 4.07Å; F181-W202 AromaticContact CD2-CD2 3.92Å; F181-W202 HydrophobicContact CD2-CD2 3.92Å; F181-W202 AromaticContact CD2-CE2 3.98Å; F181-W202 HydrophobicContact CD2-CE3 4.2Å; F181-W202 HydrophobicContact CD2-CG 4.28Å; F181-W202 HydrophobicContact CD2-CZ2 4.38Å; F181-T264 HydrophobicContact CE2-CG2 3.79Å; F181-T264 WeakPolarHBondContact CE2-OG1 3.16Å; F181-T264 HydrophobicContact CZ-CG2 3.98Å
182	M	97	Very high	93.7	Very high	106 Å²	106	70.9 Å²	70.9	52%	0.522	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175	-73.4	-178.9	69.6	0	0	111.3	L178 F179 S184 K185 L186	L178-M182 WeakPolarHBondContact O-CB 3.28Å; L178-M182 VanDerWaalsContact O-CG 3.29Å; L178-M182 WeakPolarHBondContact O-CG 3.28Å; L178-M182 PolarHBondContact O-N 2.85Å; F179-M182 PolarHBondContact O-N 2.98Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.01Å; M182-K185 PolarHBondContact O-N 2.83Å; M182-K185 VanDerWaalsContact O-N 3.14Å; M182-L186 HydrophobicContact CB-CD1 4.32Å; M182-L186 HydrophobicContact CE-CD1 3.96Å; M182-L186 VanDerWaalsContact O-CB 3.32Å; M182-L186 WeakPolarHBondContact O-CB 3.44Å; M182-L186 WeakPolarHBondContact O-CG 3.38Å; M182-L186 PolarHBondContact O-N 2.84Å
183	Y	96.3	Very high	93.4	Very high	80 Å²	80	70 Å²	70	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-55.4	-48.5	174.1	175.9	-104.4	0	0	0	111.4	F179 S180 K185 F187 C188 F198 A199	F179-Y183 WeakPolarHBondContact O-CB 3.32Å; F179-Y183 PolarHBondContact O-N 3.32Å; S180-Y183 PolarHBondContact O-N 3.3Å; Y183-K185 VanDerWaalsContact C-N 3.27Å; Y183-K185 PolarHBondContact O-N 2.91Å; Y183-F187 HydrophobicContact CD2-CB 3.87Å; Y183-F187 HydrophobicContact CD2-CD2 4.08Å; Y183-F187 HydrophobicContact CD2-CG 4.22Å; Y183-F187 HydrophobicContact CE2-CB 3.88Å; Y183-F187 HydrophobicContact CE2-CG 4.49Å; Y183-F187 PolarHBondContact O-N 2.98Å; Y183-C188 VanDerWaalsContact CE1-SG 3.55Å; Y183-F198 HydrophobicContact CD1-CB 4.07Å; Y183-F198 HydrophobicContact CE1-CB 3.83Å; Y183-A199 HydrophobicContact CD1-CB 4.21Å; Y183-A199 HydrophobicContact CE1-CB 4.34Å
184	S	93.4	Very high	92.9	Very high	16 Å²	16	70.4 Å²	70.4	11%	0.112	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-31.5	177.3	178.1	0	0	0	0	114.3	S180 F181 M182 A193	S180-S184 PolarHBondContact O-N 2.9Å; F181-S184 WeakPolarHBondContact O-CB 3.26Å; F181-S184 PolarHBondContact O-N 2.75Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.01Å; S184-A193 WeakPolarHBondContact OG-CB 3.39Å
185	K	93.1	Very high	92.5	Very high	100 Å²	100	68 Å²	68	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-95.7	-28.7	-174.7	-67.9	-61.1	-174.6	-179.5	0	113.8	F181 M182 Y183 G260	F181-K185 HydrophobicContact CE1-CG 4.14Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CG 4.12Å; F181-K185 WeakPolarHBondContact O-CG 3.45Å; F181-K185 PolarHBondContact O-N 3.26Å; F181-K185 VanDerWaalsContact O-N 3.12Å; M182-K185 PolarHBondContact O-N 2.83Å; M182-K185 VanDerWaalsContact O-N 3.14Å; Y183-K185 VanDerWaalsContact C-N 3.27Å; Y183-K185 PolarHBondContact O-N 2.91Å; K185-G260 VanDerWaalsContact NZ-CA 3.35Å; K185-G260 PolarHBondContact NZ-O 3.22Å; K185-G260 VanDerWaalsContact NZ-O 3.1Å
186	L	94.1	Very high	92.2	Very high	118 Å²	118	64.5 Å²	64.5	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-101.7	-27.6	-173.1	-60.9	177.1	0	0	0	113.2	M182	M182-L186 HydrophobicContact CB-CD1 4.32Å; M182-L186 HydrophobicContact CE-CD1 3.96Å; M182-L186 VanDerWaalsContact O-CB 3.32Å; M182-L186 WeakPolarHBondContact O-CB 3.44Å; M182-L186 WeakPolarHBondContact O-CG 3.38Å; M182-L186 PolarHBondContact O-N 2.84Å
187	F	92.5	Very high	92	Very high	153 Å²	153	62.4 Å²	62.4	67%	0.671	31%	0.31	S	S	*	.	S	Bend	trans	-122.5	0.8	-170.4	-63.3	-85.8	0	0	0	114.4	Y183	Y183-F187 HydrophobicContact CD2-CB 3.87Å; Y183-F187 HydrophobicContact CD2-CD2 4.08Å; Y183-F187 HydrophobicContact CD2-CG 4.22Å; Y183-F187 HydrophobicContact CE2-CB 3.88Å; Y183-F187 HydrophobicContact CE2-CG 4.49Å; Y183-F187 PolarHBondContact O-N 2.98Å
188	C	88.8	Confident	91.9	Very high	24 Å²	24	68.2 Å²	68.2	16%	0.162	33%	0.333	C	S	.	.			trans	-130	141	-177.8	-61.1	0	0	0	0	110.8	Y183 E192 A193	Y183-C188 VanDerWaalsContact CE1-SG 3.55Å; C188-E192 HydrophobicContact CB-CB 4.05Å; C188-A193 HydrophobicContact CB-CB 3.82Å
189	T	86.2	Confident	91.8	Very high	80 Å²	80	63.6 Å²	63.6	49%	0.491	31%	0.308	S	S	.	.			trans	-65.2	165	159.9	61.5	0	0	0	0	110.6	T191 E192 A193	T189-T191 VanDerWaalsContact C-N 3.26Å; T189-T191 PolarHBondContact O-N 3.5Å; T189-E192 WeakPolarHBondContact CB-OE2 3.25Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 2.92Å; T189-E192 PolarHBondContact O-N 3.49Å; T189-E192 WeakPolarHBondContact OG1-CB 3.26Å; T189-E192 WeakPolarHBondContact OG1-CG 3.44Å; T189-E192 PolarHBondContact OG1-N 2.99Å; T189-E192 PolarHBondContact OG1-OE2 3.36Å; T189-A193 VanDerWaalsContact O-CB 3.28Å; T189-A193 WeakPolarHBondContact O-CB 3.49Å; T189-A193 PolarHBondContact O-N 2.9Å
190	E	83.1	Confident	91.7	Very high	148 Å²	148	56.5 Å²	56.5	69%	0.692	28%	0.277	S	S	*	.	H	α-helix	trans	-56.6	-41	178.6	-64.6	-161.8	158.8	0	0	112.3	F194	E190-F194 VanDerWaalsContact O-CB 3.26Å; E190-F194 WeakPolarHBondContact O-CB 3.37Å; E190-F194 PolarHBondContact O-N 3.37Å
191	T	81.5	Confident	91.7	Very high	43 Å²	43	57.1 Å²	57.1	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-71.2	-40	180	-53.8	0	0	0	0	112.5	A120 T189 F194 N195	A120-T191 HydrophobicContact CB-CG2 3.75Å; T189-T191 VanDerWaalsContact C-N 3.26Å; T189-T191 PolarHBondContact O-N 3.5Å; T191-F194 PolarHBondContact O-N 2.87Å; T191-N195 PolarHBondContact O-N 3.28Å; T191-N195 PolarHBondContact O-ND2 3.32Å
192	E	86.7	Confident	91.7	Very high	68 Å²	68	55.1 Å²	55.1	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-46.2	175.3	-71.8	165.6	147.1	0	0	111	M119 C188 T189 F194 N195 S196	M119-E192 HydrophobicContact CG-CG 4.27Å; M119-E192 HydrophobicContact SD-CG 4.22Å; C188-E192 HydrophobicContact CB-CB 4.05Å; T189-E192 WeakPolarHBondContact CB-OE2 3.25Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 2.92Å; T189-E192 PolarHBondContact O-N 3.49Å; T189-E192 WeakPolarHBondContact OG1-CB 3.26Å; T189-E192 WeakPolarHBondContact OG1-CG 3.44Å; T189-E192 PolarHBondContact OG1-N 2.99Å; T189-E192 PolarHBondContact OG1-OE2 3.36Å; E192-F194 PolarHBondContact O-N 3.25Å; E192-N195 PolarHBondContact O-N 2.59Å; E192-S196 WeakPolarHBondContact O-CB 3.35Å; E192-S196 PolarHBondContact O-N 3Å
193	A	89.9	Confident	91.8	Very high	9 Å²	9	50.1 Å²	50.1	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-34.7	176.5	0	0	0	0	0	111.9	S184 C188 T189 N195 A199 R200	S184-A193 WeakPolarHBondContact OG-CB 3.39Å; C188-A193 HydrophobicContact CB-CB 3.82Å; T189-A193 VanDerWaalsContact O-CB 3.28Å; T189-A193 WeakPolarHBondContact O-CB 3.49Å; T189-A193 PolarHBondContact O-N 2.9Å; A193-N195 VanDerWaalsContact C-N 3.35Å; A193-N195 PolarHBondContact O-N 3.17Å; A193-A199 HydrophobicContact CB-CB 4.11Å; A193-R200 WeakPolarHBondContact O-CD 3.31Å; A193-R200 PolarHBondContact O-NE 2.89Å
194	F	87.1	Confident	91.9	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.7	-174.2	-87.1	0	0	0	112.2	Y126 W141 E190 T191 E192 R200	Y126-F194 HydrophobicContact CD1-CD1 4.28Å; Y126-F194 AromaticContact CD1-CE1 3.59Å; Y126-F194 HydrophobicContact CD1-CE1 3.59Å; Y126-F194 HydrophobicContact CD1-CE2 4.1Å; Y126-F194 AromaticContact CD1-CZ 3.5Å; Y126-F194 HydrophobicContact CD1-CZ 3.5Å; Y126-F194 VanDerWaalsContact CD1-CZ 3.5Å; Y126-F194 HydrophobicContact CD2-CD1 4.27Å; Y126-F194 AromaticContact CD2-CE1 3.61Å; Y126-F194 HydrophobicContact CD2-CE1 3.61Å; Y126-F194 HydrophobicContact CD2-CZ 4.27Å; Y126-F194 AromaticContact CE1-CE1 3.63Å; Y126-F194 HydrophobicContact CE1-CE1 3.63Å; Y126-F194 HydrophobicContact CE1-CE2 4.06Å; Y126-F194 AromaticContact CE1-CZ 3.24Å; Y126-F194 HydrophobicContact CE1-CZ 3.24Å; Y126-F194 AromaticContact CE2-CE1 3.64Å; Y126-F194 HydrophobicContact CE2-CE1 3.64Å; Y126-F194 HydrophobicContact CE2-CZ 4.05Å; Y126-F194 HydrophobicContact CG-CD1 4.04Å; Y126-F194 AromaticContact CG-CE1 3.57Å; Y126-F194 HydrophobicContact CG-CE1 3.57Å; Y126-F194 HydrophobicContact CG-CZ 4.01Å; Y126-F194 AromaticContact CZ-CE1 3.64Å; Y126-F194 AromaticContact CZ-CZ 3.53Å; W141-F194 AromaticContact CD2-CE1 3.84Å; W141-F194 HydrophobicContact CD2-CE1 3.84Å; W141-F194 AromaticContact CE2-CE1 3.38Å; W141-F194 AromaticContact CE2-CZ 3.71Å; W141-F194 HydrophobicContact CE3-CD1 4.47Å; W141-F194 HydrophobicContact CE3-CE1 4.1Å; W141-F194 HydrophobicContact CH2-CD1 4.31Å; W141-F194 AromaticContact CH2-CE1 3.63Å; W141-F194 HydrophobicContact CH2-CE1 3.63Å; W141-F194 HydrophobicContact CH2-CE2 4.26Å; W141-F194 AromaticContact CH2-CZ 3.58Å; W141-F194 HydrophobicContact CH2-CZ 3.58Å; W141-F194 HydrophobicContact CZ2-CD1 4.36Å; W141-F194 AromaticContact CZ2-CE1 3.3Å; W141-F194 HydrophobicContact CZ2-CE1 3.3Å; W141-F194 HydrophobicContact CZ2-CE2 4.18Å; W141-F194 AromaticContact CZ2-CZ 3.17Å; W141-F194 HydrophobicContact CZ2-CZ 3.17Å; W141-F194 HydrophobicContact CZ3-CD1 4.35Å; W141-F194 HydrophobicContact CZ3-CE1 4Å; W141-F194 HydrophobicContact CZ3-CZ 4.39Å; W141-F194 WeakPolarHBondContact CZ3-O 3.48Å; W141-F194 AromaticContact NE1-CE1 3.85Å; E190-F194 VanDerWaalsContact O-CB 3.26Å; E190-F194 WeakPolarHBondContact O-CB 3.37Å; E190-F194 PolarHBondContact O-N 3.37Å; T191-F194 PolarHBondContact O-N 2.87Å; E192-F194 PolarHBondContact O-N 3.25Å; F194-R200 PolarHBondContact O-NE 3.47Å; F194-R200 PolarHBondContact O-NH2 3.21Å
195	N	88.4	Confident	92.1	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-96.2	-23.6	-174	-68.7	-60.6	0	0	0	114.2	N117 T191 E192 A193	N117-N195 WeakPolarHBondContact CB-O 3.32Å; N117-N195 PolarHBondContact ND2-O 3.07Å; N117-N195 WeakPolarHBondContact O-CB 3.35Å; T191-N195 PolarHBondContact O-N 3.28Å; T191-N195 PolarHBondContact O-ND2 3.32Å; E192-N195 PolarHBondContact O-N 2.59Å; A193-N195 VanDerWaalsContact C-N 3.35Å; A193-N195 PolarHBondContact O-N 3.17Å
196	S	92.2	Very high	92.4	Very high	24 Å²	24	42.5 Å²	42.5	17%	0.168	22%	0.215	C	C	.	.			trans	-73.9	126.8	-175.4	172.7	0	0	0	0	113	E192 F198 A199 R200	E192-S196 WeakPolarHBondContact O-CB 3.35Å; E192-S196 PolarHBondContact O-N 3Å; S196-F198 VanDerWaalsContact C-N 3.32Å; S196-F198 PolarHBondContact O-N 3.33Å; S196-F198 PolarHBondContact OG-N 3.12Å; S196-A199 PolarHBondContact O-N 3.41Å; S196-A199 PolarHBondContact OG-N 3.39Å; S196-R200 VanDerWaalsContact O-CG 3.28Å; S196-R200 WeakPolarHBondContact O-CG 3.41Å; S196-R200 PolarHBondContact O-N 3.36Å
197	V	94.8	Very high	92.5	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-46.4	174	-177.5	0	0	0	0	111.5	N117 V145 Q148 A199 R200 V201	N117-V197 WeakPolarHBondContact ND2-CG2 3.35Å; V145-V197 HydrophobicContact CB-CG2 4.26Å; V145-V197 HydrophobicContact CG1-CG2 4.18Å; V145-V197 HydrophobicContact CG2-CG2 4.13Å; Q148-V197 HydrophobicContact CB-CG1 4.48Å; Q148-V197 HydrophobicContact CB-CG2 3.84Å; Q148-V197 HydrophobicContact CG-CG2 4.49Å; V197-A199 PolarHBondContact O-N 3.26Å; V197-R200 CarbonylContact O-C 3.56Å; V197-R200 WeakPolarHBondContact O-CA 3.17Å; V197-R200 PolarHBondContact O-N 2.94Å; V197-V201 HydrophobicContact CG1-CG2 4.36Å; V197-V201 WeakPolarHBondContact O-CG2 3.45Å; V197-V201 PolarHBondContact O-N 3.29Å
198	F	95.1	Very high	92.7	Very high	131 Å²	131	29.8 Å²	29.8	58%	0.575	16%	0.155	S	C	*	.	H	α-helix	trans	-62.7	-32.6	-176.9	-58.6	-66.2	0	0	0	112.2	S180 Y183 S196 R200	S180-F198 WeakPolarHBondContact CB-O 3.36Å; S180-F198 PolarHBondContact OG-O 2.64Å; Y183-F198 HydrophobicContact CD1-CB 4.07Å; Y183-F198 HydrophobicContact CE1-CB 3.83Å; S196-F198 VanDerWaalsContact C-N 3.32Å; S196-F198 PolarHBondContact O-N 3.33Å; S196-F198 PolarHBondContact OG-N 3.12Å; F198-R200 VanDerWaalsContact C-N 3.29Å; F198-R200 PolarHBondContact O-N 2.95Å
199	A	94.7	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-76.8	-11.5	174.2	0	0	0	0	0	113.8	Y183 A193 S196 V197 W202	Y183-A199 HydrophobicContact CD1-CB 4.21Å; Y183-A199 HydrophobicContact CE1-CB 4.34Å; A193-A199 HydrophobicContact CB-CB 4.11Å; S196-A199 PolarHBondContact O-N 3.41Å; S196-A199 PolarHBondContact OG-N 3.39Å; V197-A199 PolarHBondContact O-N 3.26Å; A199-W202 PolarHBondContact O-NE1 3.12Å
200	R	95.7	Very high	93.5	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-109.6	-13	-178.8	-60.9	-55.1	-153.9	117.5	7.2	114.5	D36 F39 V145 A193 F194 S196 V197 F198 W202 Q203 F204	D36-R200 IonicContact OD1-CZ 3.25Å; D36-R200 IonicContact OD1-NH1 2.74Å; D36-R200 PolarHBondContact OD1-NH1 3.5Å; F39-R200 HydrophobicContact CE2-CB 4.41Å; F39-R200 HydrophobicContact CE2-CG 4.36Å; V145-R200 HydrophobicContact CG1-CB 4.19Å; A193-R200 WeakPolarHBondContact O-CD 3.31Å; A193-R200 PolarHBondContact O-NE 2.89Å; F194-R200 PolarHBondContact O-NE 3.47Å; F194-R200 PolarHBondContact O-NH2 3.21Å; S196-R200 VanDerWaalsContact O-CG 3.28Å; S196-R200 WeakPolarHBondContact O-CG 3.41Å; S196-R200 PolarHBondContact O-N 3.36Å; V197-R200 CarbonylContact O-C 3.56Å; V197-R200 WeakPolarHBondContact O-CA 3.17Å; V197-R200 PolarHBondContact O-N 2.94Å; F198-R200 VanDerWaalsContact C-N 3.29Å; F198-R200 PolarHBondContact O-N 2.95Å; R200-W202 PolarHBondContact O-N 3.43Å; R200-Q203 VanDerWaalsContact CD-OE1 3.32Å; R200-Q203 WeakPolarHBondContact O-CB 3.46Å; R200-Q203 PolarHBondContact O-N 3.29Å; R200-F204 HydrophobicContact CB-CE2 4.46Å; R200-F204 WeakPolarHBondContact O-CD2 3.44Å
201	V	97.6	Very high	94	Very high	18 Å²	18	19.8 Å²	19.8	11%	0.109	10%	0.101	C	C	.	.	H	α-helix	trans	-50.6	-35	-179.7	169	0	0	0	0	112.7	L176 S180 V197 Q203 F204 A205	L176-V201 HydrophobicContact CD1-CG1 4.48Å; L176-V201 HydrophobicContact CD2-CG1 4.21Å; L176-V201 HydrophobicContact CG-CG1 4.07Å; S180-V201 WeakPolarHBondContact OG-CB 3.47Å; S180-V201 PolarHBondContact OG-N 2.98Å; V197-V201 HydrophobicContact CG1-CG2 4.36Å; V197-V201 WeakPolarHBondContact O-CG2 3.45Å; V197-V201 PolarHBondContact O-N 3.29Å; V201-Q203 PolarHBondContact O-N 3.13Å; V201-F204 PolarHBondContact O-N 3.36Å; V201-F204 VanDerWaalsContact O-N 3.13Å; V201-A205 PolarHBondContact O-N 2.88Å
202	W	98.1	Very high	94.5	Very high	15 Å²	15	18.4 Å²	18.4	6%	0.057	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-31.7	178.3	70.2	-88.2	0	0	0	114.1	G177 S180 F181 A199 R200 A205 I206 R263 T267	G177-W202 WeakPolarHBondContact O-CB 3.27Å; S180-W202 PolarHBondContact OG-N 3.2Å; F181-W202 HydrophobicContact CB-CB 4.1Å; F181-W202 HydrophobicContact CB-CG 4.07Å; F181-W202 AromaticContact CD2-CD2 3.92Å; F181-W202 HydrophobicContact CD2-CD2 3.92Å; F181-W202 AromaticContact CD2-CE2 3.98Å; F181-W202 HydrophobicContact CD2-CE3 4.2Å; F181-W202 HydrophobicContact CD2-CG 4.28Å; F181-W202 HydrophobicContact CD2-CZ2 4.38Å; A199-W202 PolarHBondContact O-NE1 3.12Å; R200-W202 PolarHBondContact O-N 3.43Å; W202-A205 PolarHBondContact O-N 2.97Å; W202-I206 HydrophobicContact CE3-CD1 3.74Å; W202-I206 HydrophobicContact CZ3-CD1 3.84Å; W202-I206 WeakPolarHBondContact O-CG1 3.43Å; W202-I206 PolarHBondContact O-N 3.07Å; W202-I206 VanDerWaalsContact O-N 3.07Å; W202-R263 HydrophobicContact CH2-CG 4.13Å; W202-R263 HydrophobicContact CZ2-CG 4.1Å; W202-T267 HydrophobicContact CE3-CG2 4.22Å; W202-T267 HydrophobicContact CH2-CG2 3.96Å; W202-T267 WeakPolarHBondContact CH2-OG1 3.44Å; W202-T267 HydrophobicContact CZ3-CG2 3.57Å
203	Q	98.2	Very high	94.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-70.5	-43.6	178	-53.7	-177.6	-76.9	0	0	110.8	D36 F39 R200 V201 A205 I206 G207 T267	D36-Q203 VanDerWaalsContact CB-NE2 3.3Å; D36-Q203 PolarHBondContact OD1-NE2 3.33Å; F39-Q203 HydrophobicContact CB-CB 3.95Å; F39-Q203 VanDerWaalsContact CD2-OE1 3.31Å; R200-Q203 VanDerWaalsContact CD-OE1 3.32Å; R200-Q203 WeakPolarHBondContact O-CB 3.46Å; R200-Q203 PolarHBondContact O-N 3.29Å; V201-Q203 PolarHBondContact O-N 3.13Å; Q203-A205 VanDerWaalsContact C-N 3.33Å; Q203-A205 PolarHBondContact O-N 2.99Å; Q203-I206 PolarHBondContact O-N 3.46Å; Q203-G207 PolarHBondContact O-N 2.92Å; Q203-T267 HydrophobicContact CB-CG2 3.83Å; Q203-T267 HydrophobicContact CG-CG2 3.84Å; Q203-T267 PolarHBondContact NE2-OG1 3.4Å
204	F	98.4	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-38.8	172.6	-60	-91.6	0	0	0	111.4	F39 G43 V145 E146 F149 R200 V201 I206 G207 I208	F39-F204 HydrophobicContact CB-CD1 4.3Å; F39-F204 HydrophobicContact CB-CD2 4.22Å; F39-F204 HydrophobicContact CB-CE1 3.97Å; F39-F204 HydrophobicContact CB-CE2 3.89Å; F39-F204 HydrophobicContact CB-CG 4.43Å; F39-F204 HydrophobicContact CB-CZ 3.76Å; F39-F204 AromaticContact CD1-CE1 3.87Å; F39-F204 HydrophobicContact CD1-CE1 3.87Å; F39-F204 HydrophobicContact CD1-CE2 4.03Å; F39-F204 AromaticContact CD1-CZ 3.32Å; F39-F204 HydrophobicContact CD1-CZ 3.32Å; F39-F204 HydrophobicContact CD2-CE2 4.08Å; F39-F204 HydrophobicContact CD2-CZ 4.2Å; F39-F204 AromaticContact CE1-CZ 3.89Å; F39-F204 HydrophobicContact CE1-CZ 3.89Å; F39-F204 HydrophobicContact CG-CE1 4.12Å; F39-F204 AromaticContact CG-CE2 3.75Å; F39-F204 HydrophobicContact CG-CE2 3.75Å; F39-F204 AromaticContact CG-CZ 3.5Å; F39-F204 HydrophobicContact CG-CZ 3.5Å; F39-F204 VanDerWaalsContact CG-CZ 3.5Å; F39-F204 VanDerWaalsContact O-CD1 3.23Å; F39-F204 WeakPolarHBondContact O-CD1 3.46Å; G43-F204 WeakPolarHBondContact CA-O 3.34Å; V145-F204 HydrophobicContact CG1-CE2 4.02Å; V145-F204 HydrophobicContact CG1-CZ 4.13Å; E146-F204 HydrophobicContact CB-CZ 4.48Å; E146-F204 HydrophobicContact CG-CE1 4.48Å; F149-F204 HydrophobicContact CB-CE1 4.27Å; F149-F204 HydrophobicContact CB-CE2 4.4Å; F149-F204 HydrophobicContact CB-CZ 4.21Å; F149-F204 HydrophobicContact CD1-CB 4.3Å; F149-F204 AromaticContact CD1-CD1 3.35Å; F149-F204 HydrophobicContact CD1-CD1 3.35Å; F149-F204 AromaticContact CD1-CE1 3.7Å; F149-F204 HydrophobicContact CD1-CE1 3.7Å; F149-F204 AromaticContact CD1-CG 3.84Å; F149-F204 HydrophobicContact CD1-CG 3.84Å; F149-F204 HydrophobicContact CD1-CZ 4.43Å; F149-F204 HydrophobicContact CD2-CB 4.1Å; F149-F204 HydrophobicContact CD2-CD1 4.35Å; F149-F204 HydrophobicContact CD2-CD2 4.24Å; F149-F204 AromaticContact CD2-CG 3.99Å; F149-F204 HydrophobicContact CD2-CG 3.99Å; F149-F204 HydrophobicContact CE1-CB 3.86Å; F149-F204 AromaticContact CE1-CD1 3.51Å; F149-F204 HydrophobicContact CE1-CD1 3.51Å; F149-F204 HydrophobicContact CE1-CE1 4.29Å; F149-F204 AromaticContact CE1-CG 3.89Å; F149-F204 HydrophobicContact CE1-CG 3.89Å; F149-F204 HydrophobicContact CE2-CB 3.63Å; F149-F204 HydrophobicContact CE2-CD1 4.46Å; F149-F204 HydrophobicContact CE2-CG 4.02Å; F149-F204 HydrophobicContact CG-CB 4.41Å; F149-F204 AromaticContact CG-CD1 3.81Å; F149-F204 HydrophobicContact CG-CD1 3.81Å; F149-F204 HydrophobicContact CG-CD2 4.22Å; F149-F204 HydrophobicContact CG-CE1 4.05Å; F149-F204 HydrophobicContact CG-CE2 4.44Å; F149-F204 AromaticContact CG-CG 3.9Å; F149-F204 HydrophobicContact CG-CG 3.9Å; F149-F204 HydrophobicContact CG-CZ 4.35Å; F149-F204 HydrophobicContact CZ-CB 3.5Å; F149-F204 VanDerWaalsContact CZ-CB 3.5Å; F149-F204 HydrophobicContact CZ-CD1 4.08Å; F149-F204 AromaticContact CZ-CG 3.97Å; F149-F204 HydrophobicContact CZ-CG 3.97Å; R200-F204 HydrophobicContact CB-CE2 4.46Å; R200-F204 WeakPolarHBondContact O-CD2 3.44Å; V201-F204 PolarHBondContact O-N 3.36Å; V201-F204 VanDerWaalsContact O-N 3.13Å; F204-I206 PolarHBondContact O-N 3.46Å; F204-G207 WeakPolarHBondContact O-CA 3.31Å; F204-G207 PolarHBondContact O-N 2.95Å; F204-G207 VanDerWaalsContact O-N 3.1Å; F204-I208 WeakPolarHBondContact O-CG1 3.23Å; F204-I208 PolarHBondContact O-N 3.38Å
205	A	98.1	Very high	94.2	Very high	2 Å²	2	19 Å²	19	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-41.7	178.1	0	0	0	0	0	112.2	V201 W202 Q203 G207 I208 I209	V201-A205 PolarHBondContact O-N 2.88Å; W202-A205 PolarHBondContact O-N 2.97Å; Q203-A205 VanDerWaalsContact C-N 3.33Å; Q203-A205 PolarHBondContact O-N 2.99Å; A205-G207 VanDerWaalsContact C-N 3.28Å; A205-G207 PolarHBondContact O-N 3.33Å; A205-I208 WeakPolarHBondContact O-CB 3.46Å; A205-I208 PolarHBondContact O-N 3.23Å; A205-I208 VanDerWaalsContact O-N 3.15Å; A205-I209 VanDerWaalsContact O-CG1 3.31Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 3.29Å
206	I	98.2	Very high	93.4	Very high	35 Å²	35	20.9 Å²	20.9	18%	0.179	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-43.6	172.6	-72.4	166.9	0	0	0	110.8	V40 W202 Q203 F204 I209 A210 T267 I268	V40-I206 HydrophobicContact CG1-CG2 4.26Å; W202-I206 HydrophobicContact CE3-CD1 3.74Å; W202-I206 HydrophobicContact CZ3-CD1 3.84Å; W202-I206 WeakPolarHBondContact O-CG1 3.43Å; W202-I206 PolarHBondContact O-N 3.07Å; W202-I206 VanDerWaalsContact O-N 3.07Å; Q203-I206 PolarHBondContact O-N 3.46Å; F204-I206 PolarHBondContact O-N 3.46Å; I206-I209 PolarHBondContact O-N 2.9Å; I206-A210 WeakPolarHBondContact O-CB 3.33Å; I206-A210 PolarHBondContact O-N 2.85Å; I206-T267 HydrophobicContact CD1-CG2 3.62Å; I206-I268 HydrophobicContact CD1-CG1 4.01Å
207	G	97.8	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-44.9	174.7	0	0	0	0	0	113.5	V40 F44 Q203 F204 A205 A210 N211	V40-G207 WeakPolarHBondContact O-CA 3.47Å; F44-G207 WeakPolarHBondContact CA-O 3.49Å; F44-G207 WeakPolarHBondContact CB-O 3.36Å; Q203-G207 PolarHBondContact O-N 2.92Å; F204-G207 WeakPolarHBondContact O-CA 3.31Å; F204-G207 PolarHBondContact O-N 2.95Å; F204-G207 VanDerWaalsContact O-N 3.1Å; A205-G207 VanDerWaalsContact C-N 3.28Å; A205-G207 PolarHBondContact O-N 3.33Å; G207-A210 PolarHBondContact O-N 3.33Å; G207-N211 PolarHBondContact O-N 2.97Å
208	I	96.7	Very high	89.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-47.5	176.7	-66.7	170.3	0	0	0	110.6	G43 C47 F149 I153 F173 F204 A205 A210 N211 I212	G43-I208 WeakPolarHBondContact O-CG1 3.45Å; C47-I208 HydrophobicContact CB-CB 4.28Å; C47-I208 HydrophobicContact CB-CG1 4.13Å; C47-I208 HydrophobicContact CB-CG2 4.08Å; F149-I208 HydrophobicContact CZ-CD1 4.12Å; I153-I208 HydrophobicContact CD1-CD1 3.64Å; I153-I208 HydrophobicContact CG1-CD1 4.26Å; F173-I208 HydrophobicContact CB-CG2 4.41Å; F173-I208 HydrophobicContact CD1-CB 4.46Å; F173-I208 HydrophobicContact CD1-CD1 3.9Å; F173-I208 HydrophobicContact CD1-CG2 3.87Å; F173-I208 HydrophobicContact CD2-CG2 3.58Å; F173-I208 HydrophobicContact CE1-CD1 3.74Å; F173-I208 HydrophobicContact CE1-CG2 3.99Å; F173-I208 HydrophobicContact CE2-CG2 3.71Å; F173-I208 HydrophobicContact CG-CB 4.49Å; F173-I208 HydrophobicContact CG-CG2 3.68Å; F173-I208 HydrophobicContact CZ-CD1 4.44Å; F173-I208 HydrophobicContact CZ-CG2 3.91Å; F204-I208 WeakPolarHBondContact O-CG1 3.23Å; F204-I208 PolarHBondContact O-N 3.38Å; A205-I208 WeakPolarHBondContact O-CB 3.46Å; A205-I208 PolarHBondContact O-N 3.23Å; A205-I208 VanDerWaalsContact O-N 3.15Å; I208-A210 VanDerWaalsContact C-N 3.35Å; I208-A210 PolarHBondContact O-N 3.15Å; I208-N211 WeakPolarHBondContact O-CB 3.47Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.14Å; I208-I212 HydrophobicContact CG2-CD1 3.9Å; I208-I212 HydrophobicContact CG2-CG1 4.48Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.36Å
209	I	96.1	Very high	87.6	Confident	36 Å²	36	29.9 Å²	29.9	19%	0.185	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-46.6	178.8	-67.1	161.5	0	0	0	110.1	I170 F173 T174 A205 I206 N211 I212 V213	I170-I209 HydrophobicContact CG2-CG2 4.17Å; F173-I209 HydrophobicContact CB-CD1 4.29Å; F173-I209 HydrophobicContact CB-CG1 3.89Å; T174-I209 WeakPolarHBondContact OG1-CD1 3.33Å; A205-I209 VanDerWaalsContact O-CG1 3.31Å; A205-I209 WeakPolarHBondContact O-CG1 3.46Å; A205-I209 PolarHBondContact O-N 3.29Å; I206-I209 PolarHBondContact O-N 2.9Å; I209-N211 PolarHBondContact O-N 3.39Å; I209-I212 PolarHBondContact O-N 3.46Å; I209-I212 VanDerWaalsContact O-N 3.13Å; I209-V213 HydrophobicContact CG2-CG2 4.2Å; I209-V213 WeakPolarHBondContact O-CG2 3.45Å; I209-V213 PolarHBondContact O-N 3.43Å
210	A	94.9	Very high	85.5	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-39.1	176	0	0	0	0	0	111.7	F44 I206 G207 I208 S214 M275	F44-A210 HydrophobicContact CD2-CB 4.19Å; I206-A210 WeakPolarHBondContact O-CB 3.33Å; I206-A210 PolarHBondContact O-N 2.85Å; G207-A210 PolarHBondContact O-N 3.33Å; I208-A210 VanDerWaalsContact C-N 3.35Å; I208-A210 PolarHBondContact O-N 3.15Å; A210-S214 WeakPolarHBondContact O-CB 3.45Å; A210-S214 PolarHBondContact O-N 3.5Å; A210-S214 PolarHBondContact O-OG 3.13Å; A210-M275 HydrophobicContact CB-CB 4.39Å
211	N	93.6	Very high	83.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-47.8	175.1	-174.2	-95.5	0	0	0	112.8	F44 C47 M48 R51 G207 I208 I209 V213 S214 E215	F44-N211 HydrophobicContact CD2-CB 3.54Å; F44-N211 VanDerWaalsContact CE2-CA 3.44Å; F44-N211 HydrophobicContact CE2-CB 3.76Å; F44-N211 HydrophobicContact CG-CB 4.14Å; F44-N211 WeakPolarHBondContact CZ-ND2 3.38Å; C47-N211 HydrophobicContact CB-CB 3.82Å; C47-N211 PolarHBondContact SG-OD1 3.31Å; M48-N211 WeakPolarHBondContact CB-ND2 3.4Å; R51-N211 PolarHBondContact NH1-O 3.43Å; R51-N211 PolarHBondContact NH1-OD1 3.1Å; R51-N211 VanDerWaalsContact NH1-OD1 3.16Å; G207-N211 PolarHBondContact O-N 2.97Å; I208-N211 WeakPolarHBondContact O-CB 3.47Å; I208-N211 PolarHBondContact O-N 2.91Å; I208-N211 VanDerWaalsContact O-N 3.14Å; I209-N211 PolarHBondContact O-N 3.39Å; N211-V213 PolarHBondContact O-N 3.07Å; N211-S214 PolarHBondContact O-N 3.38Å; N211-S214 PolarHBondContact O-OG 3.3Å; N211-E215 PolarHBondContact O-N 3.33Å
212	I	92.1	Very high	81.2	Confident	15 Å²	15	39.7 Å²	39.7	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-49.7	180	-64.6	169.7	0	0	0	110	H169 I170 F173 I208 I209 S214 E215 T216	H169-I212 HydrophobicContact CB-CD1 4.27Å; I170-I212 HydrophobicContact CD1-CG2 4.06Å; I170-I212 HydrophobicContact CG1-CB 4.32Å; I170-I212 HydrophobicContact CG1-CG2 3.68Å; F173-I212 HydrophobicContact CD2-CD1 3.8Å; F173-I212 HydrophobicContact CE2-CD1 4.05Å; I208-I212 HydrophobicContact CG2-CD1 3.9Å; I208-I212 HydrophobicContact CG2-CG1 4.48Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.36Å; I209-I212 PolarHBondContact O-N 3.46Å; I209-I212 VanDerWaalsContact O-N 3.13Å; I212-S214 PolarHBondContact O-N 2.88Å; I212-E215 PolarHBondContact O-N 2.93Å; I212-T216 PolarHBondContact O-N 3.28Å; I212-T216 VanDerWaalsContact O-N 3.11Å; I212-T216 PolarHBondContact O-OG1 3.21Å
213	V	90.7	Very high	78.7	Confident	24 Å²	24	46.3 Å²	46.3	15%	0.145	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-44.9	179.2	178	0	0	0	0	111.3	I170 I209 N211 E215 T216 M275	I170-V213 HydrophobicContact CD1-CG2 3.83Å; I209-V213 HydrophobicContact CG2-CG2 4.2Å; I209-V213 WeakPolarHBondContact O-CG2 3.45Å; I209-V213 PolarHBondContact O-N 3.43Å; N211-V213 PolarHBondContact O-N 3.07Å; V213-E215 PolarHBondContact O-N 3.46Å; V213-E215 VanDerWaalsContact O-N 3.09Å; V213-T216 PolarHBondContact O-N 3.46Å; V213-M275 HydrophobicContact CB-CG 4.48Å; V213-M275 HydrophobicContact CB-SD 3.92Å; V213-M275 HydrophobicContact CG1-CG 4.14Å; V213-M275 HydrophobicContact CG1-SD 3.44Å; V213-M275 WeakPolarHBondContact CG1-SD 3.41Å
214	S	86.3	Confident	76.3	Confident	4 Å²	4	48 Å²	48	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-22.1	-177.2	74.4	0	0	0	0	114.8	A210 N211 I212 Q278	A210-S214 WeakPolarHBondContact O-CB 3.45Å; A210-S214 PolarHBondContact O-N 3.5Å; A210-S214 PolarHBondContact O-OG 3.13Å; N211-S214 PolarHBondContact O-N 3.38Å; N211-S214 PolarHBondContact O-OG 3.3Å; I212-S214 PolarHBondContact O-N 2.88Å; S214-Q278 PolarHBondContact O-NE2 2.99Å
215	E	79.6	Confident	73.9	Confident	71 Å²	71	55.7 Å²	55.7	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-101.1	-17.3	178.5	-70.5	-76.7	165.9	0	0	112.7	R51 N211 I212 V213 K217	R51-E215 VanDerWaalsContact NH1-CG 3.3Å; N211-E215 PolarHBondContact O-N 3.33Å; I212-E215 PolarHBondContact O-N 2.93Å; V213-E215 PolarHBondContact O-N 3.46Å; V213-E215 VanDerWaalsContact O-N 3.09Å; E215-K217 PolarHBondContact O-N 3.02Å
216	T	73.1	Confident	71.6	Confident	44 Å²	44	61.8 Å²	61.8	27%	0.27	30%	0.303	S	S	.	.	S	Bend	trans	-73	125.2	172.5	-38	0	0	0	0	105.8	I212 V213 L218 W219	I212-T216 PolarHBondContact O-N 3.28Å; I212-T216 VanDerWaalsContact O-N 3.11Å; I212-T216 PolarHBondContact O-OG1 3.21Å; V213-T216 PolarHBondContact O-N 3.46Å; T216-L218 HydrophobicContact CG2-CD1 4.02Å; T216-L218 PolarHBondContact O-N 2.98Å; T216-W219 PolarHBondContact O-N 2.95Å
217	K	58.3	Low	68.9	Low	153 Å²	153	69.8 Å²	69.8	67%	0.665	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-7.7	-173.1	-73.1	-174.2	174.9	-173.4	0	116.5	E215 W219 S220	E215-K217 PolarHBondContact O-N 3.02Å; K217-W219 PolarHBondContact O-N 3.44Å; K217-W219 VanDerWaalsContact O-N 3.07Å; K217-S220 WeakPolarHBondContact CA-OG 3.06Å; K217-S220 PolarHBondContact O-N 2.83Å; K217-S220 PolarHBondContact O-OG 3.21Å; K217-S220 VanDerWaalsContact O-OG 3.04Å
218	L	51.6	Low	66.9	Low	133 Å²	133	72.3 Å²	72.3	70%	0.696	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-28.4	168.2	-80.5	148.6	0	0	0	113.9	T216	T216-L218 HydrophobicContact CG2-CD1 4.02Å; T216-L218 PolarHBondContact O-N 2.98Å
219	W	49.2	Very low	65.4	Low	65 Å²	65	74 Å²	74	25%	0.246	38%	0.378	C	S	.	.	S	Bend	trans	-124	0.5	-178.6	-73.4	70.5	0	0	0	114.8	T216 K217 K236 M239 M275 I276	T216-W219 PolarHBondContact O-N 2.95Å; K217-W219 PolarHBondContact O-N 3.44Å; K217-W219 VanDerWaalsContact O-N 3.07Å; W219-K236 HydrophobicContact CZ3-CG 4.28Å; W219-M239 HydrophobicContact CH2-CE 3.63Å; W219-M239 HydrophobicContact CZ3-CE 4.26Å; W219-M275 HydrophobicContact CH2-CE 3.93Å; W219-M275 HydrophobicContact CZ2-CE 3.75Å; W219-I276 HydrophobicContact CH2-CG1 3.85Å; W219-I276 HydrophobicContact CZ3-CB 4.24Å; W219-I276 HydrophobicContact CZ3-CG1 3.61Å; W219-I276 HydrophobicContact CZ3-CG2 4.14Å
220	S	50.8	Low	64.3	Low	29 Å²	29	80.1 Å²	80.1	20%	0.203	40%	0.403	C	S	.	.	S	Bend	trans	-71.1	134.7	177.3	58.6	0	0	0	0	110	K217 D222 Y223	K217-S220 WeakPolarHBondContact CA-OG 3.06Å; K217-S220 PolarHBondContact O-N 2.83Å; K217-S220 PolarHBondContact O-OG 3.21Å; K217-S220 VanDerWaalsContact O-OG 3.04Å; S220-D222 PolarHBondContact O-N 3.33Å; S220-Y223 PolarHBondContact O-N 2.9Å
221	D	52.3	Low	63.5	Low	76 Å²	76	85.2 Å²	85.2	41%	0.406	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.2	-179.7	-61.3	-35.5	0	0	0	112.9	Y223 N224 Q225 K236	D221-Y223 VanDerWaalsContact C-N 3.33Å; D221-Y223 PolarHBondContact O-N 3.5Å; D221-N224 PolarHBondContact O-N 3.24Å; D221-N224 VanDerWaalsContact O-N 3.13Å; D221-Q225 PolarHBondContact O-N 3.17Å; D221-K236 IonicContact OD1-NZ 3.61Å; D221-K236 PolarHBondContact OD1-NZ 3.14Å
222	D	51.5	Low	62.8	Low	122 Å²	122	87.1 Å²	87.1	65%	0.652	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.9	172	-74.7	-12.2	0	0	0	114.1	S220	S220-D222 PolarHBondContact O-N 3.33Å
223	Y	45.8	Very low	62.2	Low	154 Å²	154	91.9 Å²	91.9	60%	0.604	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-77.7	-29.6	175.3	-171.3	-98.5	0	0	0	111.4	S220 D221 Q225 I226	S220-Y223 PolarHBondContact O-N 2.9Å; D221-Y223 VanDerWaalsContact C-N 3.33Å; D221-Y223 PolarHBondContact O-N 3.5Å; Y223-Q225 PolarHBondContact O-N 3.35Å; Y223-I226 PolarHBondContact O-N 3.13Å
224	N	47.7	Very low	61.9	Low	35 Å²	35	95.2 Å²	95.2	19%	0.187	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-73.5	-1.6	175.3	-72.4	-34.1	0	0	0	112.6	D221 I226 S229	D221-N224 PolarHBondContact O-N 3.24Å; D221-N224 VanDerWaalsContact O-N 3.13Å; N224-I226 PolarHBondContact O-N 3.35Å; N224-S229 WeakPolarHBondContact O-CB 3.14Å; N224-S229 PolarHBondContact O-OG 3.33Å
225	Q	47.9	Very low	61.9	Low	163 Å²	163	103.7 Å²	103.7	76%	0.762	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-73.6	-12.2	173	-108.5	178.3	1.2	0	0	113.8	D221 Y223 E227	D221-Q225 PolarHBondContact O-N 3.17Å; Y223-Q225 PolarHBondContact O-N 3.35Å; Q225-E227 PolarHBondContact O-N 2.93Å
226	I	48.6	Very low	62.1	Low	129 Å²	129	101.5 Å²	101.5	66%	0.662	51%	0.506	S	S	*	.	S	Bend	trans	-87.5	95.1	179	-53.1	176	0	0	0	109.3	Y223 N224 G228	Y223-I226 PolarHBondContact O-N 3.13Å; N224-I226 PolarHBondContact O-N 3.35Å; I226-G228 VanDerWaalsContact C-N 3.26Å; I226-G228 PolarHBondContact O-N 3.2Å
227	E	42.6	Very low	62.8	Low	204 Å²	204	105 Å²	105	95%	0.953	52%	0.517	S	S	*	.	S	Bend	trans	34.6	-5.3	160.6	-87.3	-178.9	155.4	0	0	123.8	Q225	Q225-E227 PolarHBondContact O-N 2.93Å
228	G	54.8	Low	64.2	Low	53 Å²	53	100.7 Å²	100.7	55%	0.546	50%	0.504	S	S	.	.	S	Bend	trans	-106.7	8.6	168.9	0	0	0	0	0	114.1	I226 K230	I226-G228 VanDerWaalsContact C-N 3.26Å; I226-G228 PolarHBondContact O-N 3.2Å; G228-K230 PolarHBondContact O-N 3.04Å
229	S	65.3	Low	66.1	Low	39 Å²	39	98.1 Å²	98.1	27%	0.273	49%	0.489	S	S	.	.	H	α-helix	trans	-54.9	-47.1	-160.8	-166.6	0	0	0	0	117.3	N224 N231 A232 M233	N224-S229 WeakPolarHBondContact O-CB 3.14Å; N224-S229 PolarHBondContact O-OG 3.33Å; S229-N231 PolarHBondContact O-N 3.13Å; S229-A232 PolarHBondContact O-N 2.79Å; S229-M233 PolarHBondContact O-N 3.4Å
230	K	73.2	Confident	68.1	Low	164 Å²	164	95.4 Å²	95.4	71%	0.713	48%	0.479	S	S	*	.	H	α-helix	trans	-65.1	-43.5	-167.1	-74.1	-174.8	-179.9	177.5	0	111.7	G228 M233 I234	G228-K230 PolarHBondContact O-N 3.04Å; K230-M233 PolarHBondContact O-N 2.98Å; K230-I234 WeakPolarHBondContact O-CD1 3.32Å; K230-I234 VanDerWaalsContact O-CG1 3.23Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 2.8Å
231	N	79.6	Confident	70	Confident	111 Å²	111	96.7 Å²	96.7	59%	0.594	48%	0.484	S	S	*	.	H	α-helix	trans	-64.9	-43.5	178.9	-72.3	-12.2	0	0	0	111	S229 M233 I234 W235	S229-N231 PolarHBondContact O-N 3.13Å; N231-M233 VanDerWaalsContact C-N 3.33Å; N231-M233 PolarHBondContact O-N 3.36Å; N231-I234 PolarHBondContact O-N 3.13Å; N231-W235 PolarHBondContact O-N 3.46Å
232	A	78	Confident	72	Confident	42 Å²	42	96.8 Å²	96.8	35%	0.347	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-42.8	176.7	0	0	0	0	0	111.9	S229 W235 K236	S229-A232 PolarHBondContact O-N 2.79Å; A232-W235 PolarHBondContact O-N 3.24Å; A232-K236 WeakPolarHBondContact O-CB 3.23Å; A232-K236 PolarHBondContact O-N 2.69Å
233	M	79.6	Confident	74	Confident	114 Å²	114	91.6 Å²	91.6	56%	0.562	46%	0.462	S	S	*	.	H	α-helix	trans	-65.1	-39.9	176.1	-170.7	172.7	65.8	0	0	112.4	S229 K230 N231 K236 K237	S229-M233 PolarHBondContact O-N 3.4Å; K230-M233 PolarHBondContact O-N 2.98Å; N231-M233 VanDerWaalsContact C-N 3.33Å; N231-M233 PolarHBondContact O-N 3.36Å; M233-K236 PolarHBondContact O-N 3.03Å; M233-K237 PolarHBondContact O-N 3.17Å
234	I	84.9	Confident	76.2	Confident	94 Å²	94	84.8 Å²	84.8	48%	0.482	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-50.1	174.7	-68.7	163.2	0	0	0	110.3	K230 N231 K236 K237 V238	K230-I234 WeakPolarHBondContact O-CD1 3.32Å; K230-I234 VanDerWaalsContact O-CG1 3.23Å; K230-I234 WeakPolarHBondContact O-CG1 3.46Å; K230-I234 PolarHBondContact O-N 2.8Å; N231-I234 PolarHBondContact O-N 3.13Å; I234-K236 VanDerWaalsContact C-N 3.32Å; I234-K236 PolarHBondContact O-N 3.38Å; I234-K237 PolarHBondContact O-N 3.29Å; I234-K237 VanDerWaalsContact O-N 3.11Å; I234-V238 HydrophobicContact CG2-CG2 4.22Å; I234-V238 WeakPolarHBondContact O-CG2 3.32Å; I234-V238 PolarHBondContact O-N 3.15Å
235	W	85.1	Confident	78.5	Confident	182 Å²	182	87.3 Å²	87.3	69%	0.689	45%	0.453	S	S	*	.	H	α-helix	trans	-60.8	-39.3	178.3	-79.1	111.7	0	0	0	112.4	N231 A232 K237 V238 M239	N231-W235 PolarHBondContact O-N 3.46Å; A232-W235 PolarHBondContact O-N 3.24Å; W235-K237 PolarHBondContact O-N 3.22Å; W235-V238 PolarHBondContact O-N 3.2Å; W235-M239 VanDerWaalsContact O-CB 3.28Å; W235-M239 WeakPolarHBondContact O-CB 3.41Å; W235-M239 PolarHBondContact O-N 3.41Å
236	K	84.3	Confident	80.7	Confident	26 Å²	26	83 Å²	83	11%	0.113	44%	0.435	C	S	.	.	H	α-helix	trans	-58.4	-47.2	172.7	-169.3	-178.9	177	176.7	0	110.9	W219 D221 A232 M233 I234 K240 I276	W219-K236 HydrophobicContact CZ3-CG 4.28Å; D221-K236 IonicContact OD1-NZ 3.61Å; D221-K236 PolarHBondContact OD1-NZ 3.14Å; A232-K236 WeakPolarHBondContact O-CB 3.23Å; A232-K236 PolarHBondContact O-N 2.69Å; M233-K236 PolarHBondContact O-N 3.03Å; I234-K236 VanDerWaalsContact C-N 3.32Å; I234-K236 PolarHBondContact O-N 3.38Å; K236-K240 VanDerWaalsContact O-CB 3.31Å; K236-K240 WeakPolarHBondContact O-CB 3.32Å; K236-K240 PolarHBondContact O-N 3.44Å; K236-I276 VanDerWaalsContact CE-O 3.31Å; K236-I276 WeakPolarHBondContact CE-O 3.31Å; K236-I276 HydrophobicContact CG-CG2 3.53Å; K236-I276 WeakPolarHBondContact O-CG2 3.44Å
237	K	87	Confident	82.9	Confident	116 Å²	116	77.1 Å²	77.1	50%	0.504	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-43.2	178.5	-169.9	171.1	-176	170.1	0	112.3	M233 I234 W235 N241	M233-K237 PolarHBondContact O-N 3.17Å; I234-K237 PolarHBondContact O-N 3.29Å; I234-K237 VanDerWaalsContact O-N 3.11Å; W235-K237 PolarHBondContact O-N 3.22Å; K237-N241 WeakPolarHBondContact O-CB 3.42Å; K237-N241 VanDerWaalsContact O-CG 3.32Å; K237-N241 PolarHBondContact O-N 2.77Å
238	V	89.3	Confident	85.4	Confident	64 Å²	64	70.9 Å²	70.9	39%	0.388	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-52.1	176.7	171.2	0	0	0	0	110.3	I234 W235 K240 N241 C242	I234-V238 HydrophobicContact CG2-CG2 4.22Å; I234-V238 WeakPolarHBondContact O-CG2 3.32Å; I234-V238 PolarHBondContact O-N 3.15Å; W235-V238 PolarHBondContact O-N 3.2Å; V238-K240 VanDerWaalsContact C-N 3.34Å; V238-K240 PolarHBondContact O-N 2.96Å; V238-N241 PolarHBondContact O-N 2.97Å; V238-N241 VanDerWaalsContact O-N 3.13Å; V238-C242 PolarHBondContact O-N 2.91Å; V238-C242 PolarHBondContact O-SG 2.9Å
239	M	89.9	Confident	87.3	Confident	79 Å²	79	71.9 Å²	71.9	39%	0.389	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-43.1	-179.9	-174.3	164.1	58.9	0	0	112	W219 W235 N241 C242 C243 I276	W219-M239 HydrophobicContact CH2-CE 3.63Å; W219-M239 HydrophobicContact CZ3-CE 4.26Å; W235-M239 VanDerWaalsContact O-CB 3.28Å; W235-M239 WeakPolarHBondContact O-CB 3.41Å; W235-M239 PolarHBondContact O-N 3.41Å; M239-N241 PolarHBondContact O-N 3.21Å; M239-C242 PolarHBondContact O-N 3.42Å; M239-C243 PolarHBondContact O-N 3.48Å; M239-C243 PolarHBondContact O-SG 2.84Å; M239-I276 HydrophobicContact CE-CD1 3.52Å; M239-I276 HydrophobicContact CE-CG1 4.09Å; M239-I276 HydrophobicContact CG-CD1 3.91Å; M239-I276 HydrophobicContact SD-CD1 4.12Å
240	K	91.2	Very high	88.7	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-47	173.8	-178.1	-88.6	-60.4	-178.1	0	111.9	K236 V238 C243 L244 L273 I276 D280	K236-K240 VanDerWaalsContact O-CB 3.31Å; K236-K240 WeakPolarHBondContact O-CB 3.32Å; K236-K240 PolarHBondContact O-N 3.44Å; V238-K240 VanDerWaalsContact C-N 3.34Å; V238-K240 PolarHBondContact O-N 2.96Å; K240-C243 PolarHBondContact O-N 3.31Å; K240-L244 WeakPolarHBondContact O-CB 3.41Å; K240-L244 PolarHBondContact O-N 3.49Å; K240-L273 HydrophobicContact CG-CD1 4.14Å; K240-I276 HydrophobicContact CB-CB 4.44Å; K240-I276 HydrophobicContact CB-CG2 3.75Å; K240-D280 WeakPolarHBondContact CE-OD1 3.27Å; K240-D280 VanDerWaalsContact NZ-CG 3.32Å; K240-D280 IonicContact NZ-OD1 3.93Å; K240-D280 PolarHBondContact NZ-OD1 3.02Å; K240-D280 IonicContact NZ-OD2 2.72Å
241	N	92.1	Very high	89.7	Confident	56 Å²	56	63.9 Å²	63.9	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-40.1	177.7	-75.8	-13.6	0	0	0	111.5	K237 V238 M239 L244 V245	K237-N241 WeakPolarHBondContact O-CB 3.42Å; K237-N241 VanDerWaalsContact O-CG 3.32Å; K237-N241 PolarHBondContact O-N 2.77Å; V238-N241 PolarHBondContact O-N 2.97Å; V238-N241 VanDerWaalsContact O-N 3.13Å; M239-N241 PolarHBondContact O-N 3.21Å; N241-L244 PolarHBondContact O-N 3.03Å; N241-V245 WeakPolarHBondContact O-CB 3.34Å; N241-V245 VanDerWaalsContact O-CG2 3.26Å; N241-V245 WeakPolarHBondContact O-CG2 3.19Å; N241-V245 PolarHBondContact O-N 3.2Å
242	C	93.3	Very high	90.4	Very high	78 Å²	78	63 Å²	63	53%	0.527	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174	-68.3	0	0	0	0	111.7	V238 M239 L246	V238-C242 PolarHBondContact O-N 2.91Å; V238-C242 PolarHBondContact O-SG 2.9Å; M239-C242 PolarHBondContact O-N 3.42Å; C242-L246 WeakPolarHBondContact O-CB 3.25Å; C242-L246 PolarHBondContact O-N 3.36Å
243	C	93.6	Very high	91.2	Very high	12 Å²	12	65.9 Å²	65.9	8%	0.081	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-45.7	174.3	-68.4	0	0	0	0	111.5	M239 K240 L246 M247 V269 L273	M239-C243 PolarHBondContact O-N 3.48Å; M239-C243 PolarHBondContact O-SG 2.84Å; K240-C243 PolarHBondContact O-N 3.31Å; C243-L246 PolarHBondContact O-N 3.21Å; C243-M247 WeakPolarHBondContact O-CE 3.39Å; C243-M247 WeakPolarHBondContact O-CG 3.37Å; C243-M247 PolarHBondContact O-N 3.41Å; C243-V269 HydrophobicContact CB-CG1 3.94Å; C243-L273 HydrophobicContact CB-CB 4.43Å; C243-L273 HydrophobicContact CB-CD1 3.94Å
244	L	93.4	Very high	91.8	Very high	12 Å²	12	64.6 Å²	64.6	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-48.9	179.4	-175.5	59.9	0	0	0	112	L13 K240 N241 M247 I248 L273 I282 L283	L13-L244 HydrophobicContact CD1-CD1 3.65Å; K240-L244 WeakPolarHBondContact O-CB 3.41Å; K240-L244 PolarHBondContact O-N 3.49Å; N241-L244 PolarHBondContact O-N 3.03Å; L244-M247 HydrophobicContact CD1-CE 4.27Å; L244-M247 PolarHBondContact O-N 2.94Å; L244-I248 HydrophobicContact CD1-CD1 4.2Å; L244-I248 HydrophobicContact CG-CD1 4.03Å; L244-I248 VanDerWaalsContact O-CG1 3.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 3.27Å; L244-L273 HydrophobicContact CB-CD1 4.16Å; L244-I282 HydrophobicContact CD2-CB 4.48Å; L244-I282 HydrophobicContact CD2-CD1 4.38Å; L244-I282 HydrophobicContact CD2-CG2 3.9Å; L244-L283 HydrophobicContact CD1-CD2 4.33Å
245	V	94.4	Very high	92.1	Very high	88 Å²	88	65 Å²	65	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177	171	0	0	0	0	110.5	N241 M247 I248 V249	N241-V245 WeakPolarHBondContact O-CB 3.34Å; N241-V245 VanDerWaalsContact O-CG2 3.26Å; N241-V245 WeakPolarHBondContact O-CG2 3.19Å; N241-V245 PolarHBondContact O-N 3.2Å; V245-M247 VanDerWaalsContact C-N 3.33Å; V245-M247 PolarHBondContact O-N 3.12Å; V245-I248 PolarHBondContact O-N 3.42Å; V245-V249 HydrophobicContact CG1-CG2 4.12Å; V245-V249 WeakPolarHBondContact O-CB 3.41Å; V245-V249 VanDerWaalsContact O-CG2 3.26Å; V245-V249 WeakPolarHBondContact O-CG2 3.4Å; V245-V249 PolarHBondContact O-N 3.05Å
246	L	94.7	Very high	92.3	Very high	73 Å²	73	61.6 Å²	61.6	38%	0.382	32%	0.324	S	S	.	.	H	α-helix	trans	-57.9	-45	177.3	177.6	62.1	0	0	0	111.6	C242 C243 V249 V250 V269	C242-L246 WeakPolarHBondContact O-CB 3.25Å; C242-L246 PolarHBondContact O-N 3.36Å; C243-L246 PolarHBondContact O-N 3.21Å; L246-V249 PolarHBondContact O-N 3.46Å; L246-V250 HydrophobicContact CD1-CG2 4.33Å; L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.29Å; L246-V250 PolarHBondContact O-N 2.89Å; L246-V269 HydrophobicContact CD2-CG1 4.44Å; L246-V269 HydrophobicContact CD2-CG2 3.88Å
247	M	94.5	Very high	92.7	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-46.1	176.3	-72.2	-179.9	-67.3	0	0	111.7	C243 L244 V245 V249 V250 L251 F266 V269 L273	C243-M247 WeakPolarHBondContact O-CE 3.39Å; C243-M247 WeakPolarHBondContact O-CG 3.37Å; C243-M247 PolarHBondContact O-N 3.41Å; L244-M247 HydrophobicContact CD1-CE 4.27Å; L244-M247 PolarHBondContact O-N 2.94Å; V245-M247 VanDerWaalsContact C-N 3.33Å; V245-M247 PolarHBondContact O-N 3.12Å; M247-V249 VanDerWaalsContact C-N 3.32Å; M247-V249 PolarHBondContact O-N 3.08Å; M247-V250 PolarHBondContact O-N 3.42Å; M247-L251 WeakPolarHBondContact O-CB 3.07Å; M247-L251 VanDerWaalsContact O-CG 3.23Å; M247-L251 WeakPolarHBondContact O-CG 3.34Å; M247-L251 PolarHBondContact O-N 2.93Å; M247-F266 HydrophobicContact CB-CE2 3.74Å; M247-F266 HydrophobicContact CB-CZ 4.13Å; M247-F266 HydrophobicContact CG-CD2 4.19Å; M247-F266 HydrophobicContact CG-CE2 3.71Å; M247-F266 HydrophobicContact CG-CZ 4.11Å; M247-V269 HydrophobicContact CE-CG1 4.47Å; M247-V269 HydrophobicContact CG-CG1 3.66Å; M247-V269 HydrophobicContact SD-CG1 4.11Å; M247-L273 HydrophobicContact CE-CB 3.96Å; M247-L273 HydrophobicContact CE-CD1 3.78Å; M247-L273 HydrophobicContact CE-CD2 3.19Å; M247-L273 HydrophobicContact CE-CG 3.8Å; M247-L273 HydrophobicContact SD-CD2 4.24Å
248	I	94.8	Very high	92.9	Very high	73 Å²	73	61.4 Å²	61.4	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-46.6	178.4	-68.2	167.5	0	0	0	110	L244 V245 V250 L251 I252	L244-I248 HydrophobicContact CD1-CD1 4.2Å; L244-I248 HydrophobicContact CG-CD1 4.03Å; L244-I248 VanDerWaalsContact O-CG1 3.32Å; L244-I248 WeakPolarHBondContact O-CG1 3.46Å; L244-I248 PolarHBondContact O-N 3.27Å; V245-I248 PolarHBondContact O-N 3.42Å; I248-V250 PolarHBondContact O-N 2.99Å; I248-L251 PolarHBondContact O-N 3.44Å; I248-I252 HydrophobicContact CG2-CD1 4.31Å; I248-I252 HydrophobicContact CG2-CG2 4.34Å; I248-I252 WeakPolarHBondContact O-CG1 3.23Å; I248-I252 WeakPolarHBondContact O-CG2 3.43Å; I248-I252 PolarHBondContact O-N 2.89Å
249	V	95.4	Very high	92.8	Very high	75 Å²	75	59.3 Å²	59.3	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-58.3	-46.9	177.8	169.2	0	0	0	0	111.4	V245 L246 M247 L251 Y253	V245-V249 HydrophobicContact CG1-CG2 4.12Å; V245-V249 WeakPolarHBondContact O-CB 3.41Å; V245-V249 VanDerWaalsContact O-CG2 3.26Å; V245-V249 WeakPolarHBondContact O-CG2 3.4Å; V245-V249 PolarHBondContact O-N 3.05Å; L246-V249 PolarHBondContact O-N 3.46Å; M247-V249 VanDerWaalsContact C-N 3.32Å; M247-V249 PolarHBondContact O-N 3.08Å; V249-L251 VanDerWaalsContact C-N 3.32Å; V249-L251 PolarHBondContact O-N 3.15Å; V249-Y253 WeakPolarHBondContact O-CB 3.31Å; V249-Y253 PolarHBondContact O-N 3.39Å; V249-Y253 VanDerWaalsContact O-N 3.1Å
250	V	94.9	Very high	92.5	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-41.4	177.4	168.2	0	0	0	0	111.4	N30 L33 L246 M247 I248 Y253 L257 I262 F266	N30-V250 WeakPolarHBondContact CB-O 3.31Å; N30-V250 PolarHBondContact ND2-O 3.24Å; L33-V250 HydrophobicContact CD1-CG1 3.71Å; L246-V250 HydrophobicContact CD1-CG2 4.33Å; L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.29Å; L246-V250 PolarHBondContact O-N 2.89Å; M247-V250 PolarHBondContact O-N 3.42Å; I248-V250 PolarHBondContact O-N 2.99Å; V250-Y253 PolarHBondContact O-N 3.2Å; V250-L257 HydrophobicContact CG1-CD1 4.19Å; V250-I262 HydrophobicContact CG1-CD1 3.75Å; V250-I262 HydrophobicContact CG1-CG1 3.75Å; V250-I262 HydrophobicContact CG2-CD1 3.98Å; V250-F266 HydrophobicContact CB-CD2 4.22Å; V250-F266 HydrophobicContact CB-CE2 4.21Å; V250-F266 HydrophobicContact CG1-CD2 3.81Å; V250-F266 HydrophobicContact CG1-CE2 4.04Å
251	L	94.6	Very high	92.4	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-38.9	-177.8	-72	-179.1	0	0	0	113.4	S17 L33 M247 I248 V249 Y253 F266	S17-L251 WeakPolarHBondContact OG-CD2 3.34Å; L33-L251 HydrophobicContact CB-CD2 4.29Å; M247-L251 WeakPolarHBondContact O-CB 3.07Å; M247-L251 VanDerWaalsContact O-CG 3.23Å; M247-L251 WeakPolarHBondContact O-CG 3.34Å; M247-L251 PolarHBondContact O-N 2.93Å; I248-L251 PolarHBondContact O-N 3.44Å; V249-L251 VanDerWaalsContact C-N 3.32Å; V249-L251 PolarHBondContact O-N 3.15Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; L251-F266 HydrophobicContact CD1-CZ 4.01Å; L251-F266 HydrophobicContact CD2-CE1 4.37Å; L251-F266 HydrophobicContact CD2-CE2 4.02Å; L251-F266 HydrophobicContact CD2-CZ 3.59Å; L251-F266 HydrophobicContact CG-CE2 3.95Å; L251-F266 HydrophobicContact CG-CZ 3.73Å
252	I	94.1	Very high	92.6	Very high	93 Å²	93	59.5 Å²	59.5	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-87.5	-2.1	179.8	73.3	-177.7	0	0	0	113.2	F28 I248	F28-I252 HydrophobicContact CE1-CB 4.49Å; F28-I252 HydrophobicContact CE1-CG2 4.08Å; I248-I252 HydrophobicContact CG2-CD1 4.31Å; I248-I252 HydrophobicContact CG2-CG2 4.34Å; I248-I252 WeakPolarHBondContact O-CG1 3.23Å; I248-I252 WeakPolarHBondContact O-CG2 3.43Å; I248-I252 PolarHBondContact O-N 2.89Å
253	Y	94.9	Very high	92.6	Very high	102 Å²	102	57.2 Å²	57.2	40%	0.4	32%	0.316	S	S	.	.			trans	-65.7	122.7	-178.9	-167.3	-110.5	0	0	0	109.8	N30 V249 V250 L251 I255 L257	N30-Y253 PolarHBondContact ND2-O 3.02Å; N30-Y253 VanDerWaalsContact ND2-O 3.09Å; V249-Y253 WeakPolarHBondContact O-CB 3.31Å; V249-Y253 PolarHBondContact O-N 3.39Å; V249-Y253 VanDerWaalsContact O-N 3.1Å; V250-Y253 PolarHBondContact O-N 3.2Å; L251-Y253 VanDerWaalsContact C-N 3.33Å; Y253-I255 HydrophobicContact CD1-CB 4.08Å; Y253-I255 WeakPolarHBondContact CD1-O 3.32Å; Y253-I255 HydrophobicContact CE1-CB 3.69Å; Y253-I255 HydrophobicContact CE1-CD1 4.37Å; Y253-I255 HydrophobicContact CE1-CG1 4.37Å; Y253-I255 PolarHBondContact O-N 3.49Å; Y253-I255 VanDerWaalsContact O-N 3.1Å; Y253-L257 HydrophobicContact CD1-CD1 4.14Å; Y253-L257 HydrophobicContact CD1-CD2 3.71Å; Y253-L257 HydrophobicContact CD1-CG 3.87Å; Y253-L257 HydrophobicContact CE1-CD2 3.65Å; Y253-L257 HydrophobicContact CE1-CG 4.32Å
254	P	91.3	Very high	92.8	Very high	87 Å²	87	58 Å²	58	57%	0.565	32%	0.321	S	S	*	.	S	Bend	trans	-77.7	3.7	-166.5	31.7	-37.3	0	0	0	114.1
255	I	92.3	Very high	92.9	Very high	102 Å²	102	61.4 Å²	61.4	52%	0.523	34%	0.339	S	S	.	.	S	Bend	trans	-118.7	134.7	178.8	-60.5	169.4	0	0	0	108.6	N30 Y253 L257	N30-I255 PolarHBondContact ND2-O 3.27Å; Y253-I255 HydrophobicContact CD1-CB 4.08Å; Y253-I255 WeakPolarHBondContact CD1-O 3.32Å; Y253-I255 HydrophobicContact CE1-CB 3.69Å; Y253-I255 HydrophobicContact CE1-CD1 4.37Å; Y253-I255 HydrophobicContact CE1-CG1 4.37Å; Y253-I255 PolarHBondContact O-N 3.49Å; Y253-I255 VanDerWaalsContact O-N 3.1Å; I255-L257 PolarHBondContact O-N 3.28Å; I255-L257 VanDerWaalsContact O-N 3.11Å
256	K	89.2	Confident	93	Very high	111 Å²	111	57.4 Å²	57.4	48%	0.483	31%	0.314	S	S	.	.			trans	-61.2	114.3	174.5	-173.2	-179.5	-178.9	-179.7	0	109.6	P29	P29-K256 HydrophobicContact CB-CB 4.06Å
257	L	91.9	Very high	93.1	Very high	42 Å²	42	54 Å²	54	22%	0.22	30%	0.296	C	S	.	.			trans	-79.7	151.7	178.2	-66	171	0	0	0	110.6	N30 V250 Y253 I255 A259 I262	N30-L257 WeakPolarHBondContact OD1-CB 3.46Å; N30-L257 PolarHBondContact OD1-N 2.98Å; V250-L257 HydrophobicContact CG1-CD1 4.19Å; Y253-L257 HydrophobicContact CD1-CD1 4.14Å; Y253-L257 HydrophobicContact CD1-CD2 3.71Å; Y253-L257 HydrophobicContact CD1-CG 3.87Å; Y253-L257 HydrophobicContact CE1-CD2 3.65Å; Y253-L257 HydrophobicContact CE1-CG 4.32Å; I255-L257 PolarHBondContact O-N 3.28Å; I255-L257 VanDerWaalsContact O-N 3.11Å; L257-A259 PolarHBondContact O-N 3.3Å; L257-I262 HydrophobicContact CB-CB 4.03Å; L257-I262 HydrophobicContact CB-CG1 4.1Å; L257-I262 HydrophobicContact CB-CG2 3.99Å; L257-I262 HydrophobicContact CD1-CD1 3.82Å; L257-I262 HydrophobicContact CD1-CG1 3.78Å
258	P	90.7	Very high	93.3	Very high	96 Å²	96	57.6 Å²	57.6	62%	0.623	32%	0.315	S	S	*	.			trans	-57	111	178.1	-24.7	33.9	0	0	0	111.6	G260 T261 I262	P258-G260 PolarHBondContact O-N 3.48Å; P258-G260 VanDerWaalsContact O-N 3.13Å; P258-T261 PolarHBondContact O-N 3.45Å; P258-I262 VanDerWaalsContact O-CG2 3.3Å; P258-I262 WeakPolarHBondContact O-CG2 3.22Å; P258-I262 PolarHBondContact O-N 2.95Å; P258-I262 VanDerWaalsContact O-N 3.1Å
259	A	86.8	Confident	93.4	Very high	21 Å²	21	54.6 Å²	54.6	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-55.7	-37.8	-170.3	0	0	0	0	0	112.5	Y32 L257 T261 R263	Y32-A259 WeakPolarHBondContact OH-CA 3.4Å; L257-A259 PolarHBondContact O-N 3.3Å; A259-T261 PolarHBondContact O-N 2.86Å; A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 3.44Å; A259-R263 VanDerWaalsContact O-N 3.14Å
260	G	85.1	Confident	93.5	Very high	21 Å²	21	51 Å²	51	22%	0.216	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-40.9	-178.8	0	0	0	0	0	114.6	K185 P258 T264	K185-G260 VanDerWaalsContact NZ-CA 3.35Å; K185-G260 PolarHBondContact NZ-O 3.22Å; K185-G260 VanDerWaalsContact NZ-O 3.1Å; P258-G260 PolarHBondContact O-N 3.48Å; P258-G260 VanDerWaalsContact O-N 3.13Å; G260-T264 PolarHBondContact O-OG1 2.97Å; G260-T264 VanDerWaalsContact O-OG1 3.06Å
261	T	89.4	Confident	93.5	Very high	108 Å²	108	50.6 Å²	50.6	66%	0.663	28%	0.276	S	S	*	.	H	α-helix	trans	-91.8	-46.8	-177	-54.4	0	0	0	0	111.1	P258 A259 R263 T264 L265	P258-T261 PolarHBondContact O-N 3.45Å; A259-T261 PolarHBondContact O-N 2.86Å; T261-R263 PolarHBondContact O-N 3.25Å; T261-T264 WeakPolarHBondContact O-CB 3.34Å; T261-T264 PolarHBondContact O-N 3.49Å; T261-L265 PolarHBondContact O-N 3.45Å; T261-L265 VanDerWaalsContact O-N 3.16Å
262	I	94.5	Very high	93.5	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.087	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-37.2	-173.8	-165	60.5	0	0	0	112	Y32 L33 V250 L257 P258 T264 L265 F266	Y32-I262 VanDerWaalsContact OH-CG2 3.3Å; Y32-I262 WeakPolarHBondContact OH-CG2 3.23Å; L33-I262 HydrophobicContact CD1-CG1 4.02Å; L33-I262 HydrophobicContact CD1-CG2 4.39Å; L33-I262 HydrophobicContact CD2-CG2 4.37Å; V250-I262 HydrophobicContact CG1-CD1 3.75Å; V250-I262 HydrophobicContact CG1-CG1 3.75Å; V250-I262 HydrophobicContact CG2-CD1 3.98Å; L257-I262 HydrophobicContact CB-CB 4.03Å; L257-I262 HydrophobicContact CB-CG1 4.1Å; L257-I262 HydrophobicContact CB-CG2 3.99Å; L257-I262 HydrophobicContact CD1-CD1 3.82Å; L257-I262 HydrophobicContact CD1-CG1 3.78Å; P258-I262 VanDerWaalsContact O-CG2 3.3Å; P258-I262 WeakPolarHBondContact O-CG2 3.22Å; P258-I262 PolarHBondContact O-N 2.95Å; P258-I262 VanDerWaalsContact O-N 3.1Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.08Å; I262-L265 HydrophobicContact CD1-CD2 4.34Å; I262-L265 PolarHBondContact O-N 3.19Å; I262-F266 WeakPolarHBondContact O-CB 3.23Å; I262-F266 PolarHBondContact O-N 3.45Å
263	R	95.1	Very high	93.5	Very high	30 Å²	30	48.5 Å²	48.5	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-43.9	175.2	175.7	169.4	-68.7	166.8	7	111.9	L33 D36 W202 A259 T261 F266 T267	L33-R263 HydrophobicContact CD2-CB 4.1Å; D36-R263 IonicContact OD1-CZ 3.08Å; D36-R263 IonicContact OD1-NE 3.81Å; D36-R263 PolarHBondContact OD1-NE 3.33Å; D36-R263 WeakPolarHBondContact OD2-CG 3.43Å; D36-R263 IonicContact OD2-CZ 3.29Å; D36-R263 IonicContact OD2-NE 3.36Å; D36-R263 PolarHBondContact OD2-NE 3.09Å; D36-R263 IonicContact OD2-NH2 3.11Å; W202-R263 HydrophobicContact CH2-CG 4.13Å; W202-R263 HydrophobicContact CZ2-CG 4.1Å; A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 3.44Å; A259-R263 VanDerWaalsContact O-N 3.14Å; T261-R263 PolarHBondContact O-N 3.25Å; R263-F266 PolarHBondContact O-N 3.1Å; R263-T267 VanDerWaalsContact O-CB 3.28Å; R263-T267 WeakPolarHBondContact O-CB 3.38Å; R263-T267 PolarHBondContact O-N 3.04Å; R263-T267 PolarHBondContact O-OG1 3.15Å
264	T	95.8	Very high	93.4	Very high	30 Å²	30	43.6 Å²	43.6	18%	0.184	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-52.3	179.7	-50.9	0	0	0	0	110.3	F181 G260 T261 I262 F266 T267 I268	F181-T264 HydrophobicContact CE2-CG2 3.79Å; F181-T264 WeakPolarHBondContact CE2-OG1 3.16Å; F181-T264 HydrophobicContact CZ-CG2 3.98Å; G260-T264 PolarHBondContact O-OG1 2.97Å; G260-T264 VanDerWaalsContact O-OG1 3.06Å; T261-T264 WeakPolarHBondContact O-CB 3.34Å; T261-T264 PolarHBondContact O-N 3.49Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.08Å; T264-F266 PolarHBondContact O-N 3.33Å; T264-T267 PolarHBondContact O-N 2.88Å; T264-I268 HydrophobicContact CG2-CD1 4.17Å; T264-I268 WeakPolarHBondContact O-CG1 3.34Å; T264-I268 PolarHBondContact O-N 3.25Å; T264-I268 VanDerWaalsContact O-N 3.13Å
265	L	95.8	Very high	93.3	Very high	83 Å²	83	40.5 Å²	40.5	44%	0.435	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-49.5	177.5	179.3	62.7	0	0	0	111.5	T261 I262 T267 I268 V269	T261-L265 PolarHBondContact O-N 3.45Å; T261-L265 VanDerWaalsContact O-N 3.16Å; I262-L265 HydrophobicContact CD1-CD2 4.34Å; I262-L265 PolarHBondContact O-N 3.19Å; L265-T267 VanDerWaalsContact C-N 3.35Å; L265-T267 PolarHBondContact O-N 3.29Å; L265-I268 PolarHBondContact O-N 2.93Å; L265-V269 HydrophobicContact CD1-CG2 4.09Å; L265-V269 HydrophobicContact CG-CG2 4.36Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 2.89Å
266	F	97	Very high	93.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-37.9	-176.1	-161.4	-99.2	0	0	0	112.7	L33 Q37 M247 V250 L251 I262 R263 T264 V269 T270	L33-F266 HydrophobicContact CB-CD1 3.58Å; L33-F266 HydrophobicContact CB-CE1 3.57Å; L33-F266 HydrophobicContact CB-CG 4.12Å; L33-F266 HydrophobicContact CB-CZ 4.17Å; L33-F266 HydrophobicContact CD1-CB 4.19Å; L33-F266 HydrophobicContact CD1-CD1 4.25Å; L33-F266 HydrophobicContact CD1-CD2 3.98Å; L33-F266 HydrophobicContact CD1-CE2 4.37Å; L33-F266 HydrophobicContact CD1-CG 3.91Å; L33-F266 HydrophobicContact CD2-CB 4.28Å; L33-F266 HydrophobicContact CD2-CD1 4.45Å; L33-F266 HydrophobicContact CD2-CG 4.48Å; L33-F266 HydrophobicContact CG-CD1 4.32Å; L33-F266 HydrophobicContact CG-CG 4.41Å; Q37-F266 VanDerWaalsContact CD-CE1 3.45Å; Q37-F266 HydrophobicContact CG-CD1 4.1Å; Q37-F266 HydrophobicContact CG-CE1 3.44Å; Q37-F266 VanDerWaalsContact CG-CE1 3.44Å; Q37-F266 HydrophobicContact CG-CZ 4.35Å; M247-F266 HydrophobicContact CB-CE2 3.74Å; M247-F266 HydrophobicContact CB-CZ 4.13Å; M247-F266 HydrophobicContact CG-CD2 4.19Å; M247-F266 HydrophobicContact CG-CE2 3.71Å; M247-F266 HydrophobicContact CG-CZ 4.11Å; V250-F266 HydrophobicContact CB-CD2 4.22Å; V250-F266 HydrophobicContact CB-CE2 4.21Å; V250-F266 HydrophobicContact CG1-CD2 3.81Å; V250-F266 HydrophobicContact CG1-CE2 4.04Å; L251-F266 HydrophobicContact CD1-CZ 4.01Å; L251-F266 HydrophobicContact CD2-CE1 4.37Å; L251-F266 HydrophobicContact CD2-CE2 4.02Å; L251-F266 HydrophobicContact CD2-CZ 3.59Å; L251-F266 HydrophobicContact CG-CE2 3.95Å; L251-F266 HydrophobicContact CG-CZ 3.73Å; I262-F266 WeakPolarHBondContact O-CB 3.23Å; I262-F266 PolarHBondContact O-N 3.45Å; R263-F266 PolarHBondContact O-N 3.1Å; T264-F266 PolarHBondContact O-N 3.33Å; F266-V269 PolarHBondContact O-N 3.32Å; F266-T270 WeakPolarHBondContact O-CB 3.41Å; F266-T270 PolarHBondContact O-N 3.41Å; F266-T270 PolarHBondContact O-OG1 3.33Å
267	T	97.7	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-44.7	175.5	-55.7	0	0	0	0	111	V40 W202 Q203 I206 R263 T264 L265 T270 G271	V40-T267 HydrophobicContact CG2-CG2 3.38Å; W202-T267 HydrophobicContact CE3-CG2 4.22Å; W202-T267 HydrophobicContact CH2-CG2 3.96Å; W202-T267 WeakPolarHBondContact CH2-OG1 3.44Å; W202-T267 HydrophobicContact CZ3-CG2 3.57Å; Q203-T267 HydrophobicContact CB-CG2 3.83Å; Q203-T267 HydrophobicContact CG-CG2 3.84Å; Q203-T267 PolarHBondContact NE2-OG1 3.4Å; I206-T267 HydrophobicContact CD1-CG2 3.62Å; R263-T267 VanDerWaalsContact O-CB 3.28Å; R263-T267 WeakPolarHBondContact O-CB 3.38Å; R263-T267 PolarHBondContact O-N 3.04Å; R263-T267 PolarHBondContact O-OG1 3.15Å; T264-T267 PolarHBondContact O-N 2.88Å; L265-T267 VanDerWaalsContact C-N 3.35Å; L265-T267 PolarHBondContact O-N 3.29Å; T267-T270 PolarHBondContact O-N 2.9Å; T267-G271 PolarHBondContact O-N 2.87Å
268	I	97.1	Very high	92.4	Very high	80 Å²	80	30.4 Å²	30.4	41%	0.41	18%	0.177	S	C	.	.	H	α-helix	trans	-63	-47.8	177	-67.4	167.8	0	0	0	110.5	I206 T264 L265 T270 G271 L272	I206-I268 HydrophobicContact CD1-CG1 4.01Å; T264-I268 HydrophobicContact CG2-CD1 4.17Å; T264-I268 WeakPolarHBondContact O-CG1 3.34Å; T264-I268 PolarHBondContact O-N 3.25Å; T264-I268 VanDerWaalsContact O-N 3.13Å; L265-I268 PolarHBondContact O-N 2.93Å; I268-T270 VanDerWaalsContact C-N 3.26Å; I268-T270 PolarHBondContact O-N 3.5Å; I268-G271 PolarHBondContact O-N 3.31Å; I268-G271 VanDerWaalsContact O-N 3.12Å; I268-L272 HydrophobicContact CG2-CD1 4.14Å; I268-L272 HydrophobicContact CG2-CG 4.44Å; I268-L272 WeakPolarHBondContact O-CG 3.29Å; I268-L272 PolarHBondContact O-N 3.46Å
269	V	97	Very high	91.5	Very high	10 Å²	10	31.9 Å²	31.9	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-37.2	178.3	173.9	0	0	0	0	111.2	C243 L246 M247 L265 F266 L272 L273	C243-V269 HydrophobicContact CB-CG1 3.94Å; L246-V269 HydrophobicContact CD2-CG1 4.44Å; L246-V269 HydrophobicContact CD2-CG2 3.88Å; M247-V269 HydrophobicContact CE-CG1 4.47Å; M247-V269 HydrophobicContact CG-CG1 3.66Å; M247-V269 HydrophobicContact SD-CG1 4.11Å; L265-V269 HydrophobicContact CD1-CG2 4.09Å; L265-V269 HydrophobicContact CG-CG2 4.36Å; L265-V269 VanDerWaalsContact O-CG2 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.45Å; L265-V269 PolarHBondContact O-N 2.89Å; F266-V269 PolarHBondContact O-N 3.32Å; V269-L272 PolarHBondContact O-N 3.26Å; V269-L273 WeakPolarHBondContact O-CB 3.39Å; V269-L273 PolarHBondContact O-N 3.06Å
270	T	97.5	Very high	91.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-43.2	174.9	-58.8	0	0	0	0	111.7	V10 Q37 V40 F266 T267 I268 L273 I274	V10-T270 HydrophobicContact CG1-CG2 4.29Å; Q37-T270 HydrophobicContact CB-CG2 4.02Å; Q37-T270 HydrophobicContact CG-CG2 4.04Å; V40-T270 HydrophobicContact CB-CG2 4.01Å; V40-T270 HydrophobicContact CG1-CG2 4.03Å; V40-T270 HydrophobicContact CG2-CG2 4.37Å; F266-T270 WeakPolarHBondContact O-CB 3.41Å; F266-T270 PolarHBondContact O-N 3.41Å; F266-T270 PolarHBondContact O-OG1 3.33Å; T267-T270 PolarHBondContact O-N 2.9Å; I268-T270 VanDerWaalsContact C-N 3.26Å; I268-T270 PolarHBondContact O-N 3.5Å; T270-L273 PolarHBondContact O-N 2.82Å; T270-I274 HydrophobicContact CG2-CD1 3.96Å; T270-I274 WeakPolarHBondContact O-CG1 3.12Å; T270-I274 PolarHBondContact O-N 2.86Å; T270-I274 VanDerWaalsContact O-N 3.07Å
271	G	96.4	Very high	91.2	Very high	4 Å²	4	37.8 Å²	37.8	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.9	0	0	0	0	0	112.6	T267 I268 I274 M275	T267-G271 PolarHBondContact O-N 2.87Å; I268-G271 PolarHBondContact O-N 3.31Å; I268-G271 VanDerWaalsContact O-N 3.12Å; G271-I274 PolarHBondContact O-N 2.74Å; G271-M275 WeakPolarHBondContact O-CB 3.39Å; G271-M275 PolarHBondContact O-N 3.28Å; G271-M275 VanDerWaalsContact O-N 3.08Å
272	L	94.2	Very high	91.2	Very high	70 Å²	70	36.7 Å²	36.7	37%	0.366	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-46	174.9	-69.5	174.9	0	0	0	111.5	I268 V269 I274 M275 I276	I268-L272 HydrophobicContact CG2-CD1 4.14Å; I268-L272 HydrophobicContact CG2-CG 4.44Å; I268-L272 WeakPolarHBondContact O-CG 3.29Å; I268-L272 PolarHBondContact O-N 3.46Å; V269-L272 PolarHBondContact O-N 3.26Å; L272-I274 PolarHBondContact O-N 2.98Å; L272-M275 HydrophobicContact CD2-CE 3.75Å; L272-M275 WeakPolarHBondContact O-CB 3.48Å; L272-M275 PolarHBondContact O-N 3.49Å; L272-M275 VanDerWaalsContact O-N 3.17Å; L272-I276 HydrophobicContact CB-CD1 4.24Å; L272-I276 VanDerWaalsContact O-CD1 3.22Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 WeakPolarHBondContact O-CG1 3.45Å; L272-I276 PolarHBondContact O-N 2.86Å
273	L	94.3	Very high	91	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-53.2	178.3	-175.4	81	0	0	0	110.7	V10 K240 C243 L244 M247 V269 T270 M275 I276 S277 L283	V10-L273 HydrophobicContact CG2-CD2 3.72Å; K240-L273 HydrophobicContact CG-CD1 4.14Å; C243-L273 HydrophobicContact CB-CB 4.43Å; C243-L273 HydrophobicContact CB-CD1 3.94Å; L244-L273 HydrophobicContact CB-CD1 4.16Å; M247-L273 HydrophobicContact CE-CB 3.96Å; M247-L273 HydrophobicContact CE-CD1 3.78Å; M247-L273 HydrophobicContact CE-CD2 3.19Å; M247-L273 HydrophobicContact CE-CG 3.8Å; M247-L273 HydrophobicContact SD-CD2 4.24Å; V269-L273 WeakPolarHBondContact O-CB 3.39Å; V269-L273 PolarHBondContact O-N 3.06Å; T270-L273 PolarHBondContact O-N 2.82Å; L273-M275 PolarHBondContact O-N 2.98Å; L273-I276 PolarHBondContact O-N 3.06Å; L273-I276 VanDerWaalsContact O-N 3.09Å; L273-S277 WeakPolarHBondContact O-CB 3.46Å; L273-S277 PolarHBondContact O-N 3.45Å; L273-S277 PolarHBondContact O-OG 2.98Å; L273-L283 HydrophobicContact CD1-CD1 4.29Å; L273-L283 HydrophobicContact CD2-CD1 3.92Å; L273-L283 HydrophobicContact CG-CD1 4.14Å
274	I	92.4	Very high	90.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-33.6	-179.1	-65	162.9	0	0	0	111.6	R4 V10 V40 L41 F44 T270 G271 L272	R4-I274 PolarHBondContact NH2-O 3.27Å; V10-I274 HydrophobicContact CG1-CG1 4.45Å; V10-I274 HydrophobicContact CG2-CG1 4.22Å; V40-I274 HydrophobicContact CG1-CD1 3.89Å; L41-I274 HydrophobicContact CD2-CD1 3.59Å; L41-I274 HydrophobicContact CD2-CG1 4.23Å; L41-I274 HydrophobicContact CG-CD1 3.92Å; F44-I274 HydrophobicContact CD1-CG2 4.1Å; F44-I274 HydrophobicContact CD2-CG2 3.47Å; F44-I274 VanDerWaalsContact CD2-CG2 3.47Å; F44-I274 HydrophobicContact CE1-CG2 4.18Å; F44-I274 HydrophobicContact CE2-CG2 3.54Å; F44-I274 HydrophobicContact CG-CG2 3.79Å; F44-I274 HydrophobicContact CZ-CG2 3.93Å; T270-I274 HydrophobicContact CG2-CD1 3.96Å; T270-I274 WeakPolarHBondContact O-CG1 3.12Å; T270-I274 PolarHBondContact O-N 2.86Å; T270-I274 VanDerWaalsContact O-N 3.07Å; G271-I274 PolarHBondContact O-N 2.74Å; L272-I274 PolarHBondContact O-N 2.98Å
275	M	89.3	Confident	90.8	Very high	22 Å²	22	37.9 Å²	37.9	11%	0.108	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-39.7	176.6	-176	-178.5	70.6	0	0	111.9	A210 V213 W219 G271 L272 L273	A210-M275 HydrophobicContact CB-CB 4.39Å; V213-M275 HydrophobicContact CB-CG 4.48Å; V213-M275 HydrophobicContact CB-SD 3.92Å; V213-M275 HydrophobicContact CG1-CG 4.14Å; V213-M275 HydrophobicContact CG1-SD 3.44Å; V213-M275 WeakPolarHBondContact CG1-SD 3.41Å; W219-M275 HydrophobicContact CH2-CE 3.93Å; W219-M275 HydrophobicContact CZ2-CE 3.75Å; G271-M275 WeakPolarHBondContact O-CB 3.39Å; G271-M275 PolarHBondContact O-N 3.28Å; G271-M275 VanDerWaalsContact O-N 3.08Å; L272-M275 HydrophobicContact CD2-CE 3.75Å; L272-M275 WeakPolarHBondContact O-CB 3.48Å; L272-M275 PolarHBondContact O-N 3.49Å; L272-M275 VanDerWaalsContact O-N 3.17Å; L273-M275 PolarHBondContact O-N 2.98Å
276	I	88.2	Confident	90.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-92.3	-26.9	-170.9	-55	159.7	0	0	0	112	W219 K236 M239 K240 L272 L273 Q278	W219-I276 HydrophobicContact CH2-CG1 3.85Å; W219-I276 HydrophobicContact CZ3-CB 4.24Å; W219-I276 HydrophobicContact CZ3-CG1 3.61Å; W219-I276 HydrophobicContact CZ3-CG2 4.14Å; K236-I276 VanDerWaalsContact CE-O 3.31Å; K236-I276 WeakPolarHBondContact CE-O 3.31Å; K236-I276 HydrophobicContact CG-CG2 3.53Å; K236-I276 WeakPolarHBondContact O-CG2 3.44Å; M239-I276 HydrophobicContact CE-CD1 3.52Å; M239-I276 HydrophobicContact CE-CG1 4.09Å; M239-I276 HydrophobicContact CG-CD1 3.91Å; M239-I276 HydrophobicContact SD-CD1 4.12Å; K240-I276 HydrophobicContact CB-CB 4.44Å; K240-I276 HydrophobicContact CB-CG2 3.75Å; L272-I276 HydrophobicContact CB-CD1 4.24Å; L272-I276 VanDerWaalsContact O-CD1 3.22Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 WeakPolarHBondContact O-CG1 3.45Å; L272-I276 PolarHBondContact O-N 2.86Å; L273-I276 PolarHBondContact O-N 3.06Å; L273-I276 VanDerWaalsContact O-N 3.09Å; I276-Q278 PolarHBondContact O-N 3.35Å
277	S	86.4	Confident	90.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	25%	0.247	C	C	.	.			trans	-75.7	17.7	-172.2	60.6	0	0	0	0	116.3	D6 L273 N279 D280	D6-S277 VanDerWaalsContact CB-O 3.25Å; D6-S277 WeakPolarHBondContact CB-O 3.45Å; D6-S277 PolarHBondContact OD2-OG 3.04Å; L273-S277 WeakPolarHBondContact O-CB 3.46Å; L273-S277 PolarHBondContact O-N 3.45Å; L273-S277 PolarHBondContact O-OG 2.98Å; S277-N279 PolarHBondContact O-N 3.06Å; S277-D280 WeakPolarHBondContact O-CB 3.37Å; S277-D280 PolarHBondContact O-N 3.28Å; S277-D280 VanDerWaalsContact O-N 3.13Å
278	Q	79	Confident	90.6	Very high	37 Å²	37	50.2 Å²	50.2	17%	0.173	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	126.2	175.5	-71.5	-179.7	-7.1	0	0	110.2	R4 S214 I276 D280	R4-Q278 VanDerWaalsContact CZ-CG 3.44Å; S214-Q278 PolarHBondContact O-NE2 2.99Å; I276-Q278 PolarHBondContact O-N 3.35Å; Q278-D280 VanDerWaalsContact C-N 3.28Å; Q278-D280 PolarHBondContact O-N 3.01Å
279	N	73.4	Confident	90.5	Very high	127 Å²	127	47 Å²	47	68%	0.679	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	29.4	-178	-54.1	-39.7	0	0	0	114.6	S277 E281	S277-N279 PolarHBondContact O-N 3.06Å; N279-E281 PolarHBondContact O-N 2.91Å
280	D	81.2	Confident	90.5	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.08	25%	0.249	C	C	.	.			trans	-71.7	128.3	-179.9	-177.9	44.7	0	0	0	113.5	K240 S277 Q278 I282 L283 S284	K240-D280 WeakPolarHBondContact CE-OD1 3.27Å; K240-D280 VanDerWaalsContact NZ-CG 3.32Å; K240-D280 IonicContact NZ-OD1 3.93Å; K240-D280 PolarHBondContact NZ-OD1 3.02Å; K240-D280 IonicContact NZ-OD2 2.72Å; S277-D280 WeakPolarHBondContact O-CB 3.37Å; S277-D280 PolarHBondContact O-N 3.28Å; S277-D280 VanDerWaalsContact O-N 3.13Å; Q278-D280 VanDerWaalsContact C-N 3.28Å; Q278-D280 PolarHBondContact O-N 3.01Å; D280-I282 PolarHBondContact OD2-N 3.43Å; D280-L283 HydrophobicContact CB-CB 4.28Å; D280-L283 WeakPolarHBondContact OD2-CB 3.49Å; D280-L283 VanDerWaalsContact OD2-CG 3.31Å; D280-L283 WeakPolarHBondContact OD2-CG 3.18Å; D280-L283 PolarHBondContact OD2-N 3.44Å; D280-S284 WeakPolarHBondContact O-CB 3.35Å; D280-S284 PolarHBondContact O-N 3.19Å; D280-S284 PolarHBondContact O-OG 2.93Å
281	E	83.7	Confident	90.6	Very high	151 Å²	151	52.4 Å²	52.4	71%	0.706	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.7	178.7	-67.2	173.1	173.5	0	0	112.6	N279 V285	N279-E281 PolarHBondContact O-N 2.91Å; E281-V285 WeakPolarHBondContact O-CG2 3.49Å; E281-V285 PolarHBondContact O-N 2.96Å
282	I	89.4	Confident	90.6	Very high	84 Å²	84	52.2 Å²	52.2	43%	0.431	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-52	-175.3	-58.1	174.1	0	0	0	110.5	L244 D280 S284 V285	L244-I282 HydrophobicContact CD2-CB 4.48Å; L244-I282 HydrophobicContact CD2-CD1 4.38Å; L244-I282 HydrophobicContact CD2-CG2 3.9Å; D280-I282 PolarHBondContact OD2-N 3.43Å; I282-S284 PolarHBondContact O-N 3.5Å; I282-V285 WeakPolarHBondContact O-CG2 3.46Å; I282-V285 PolarHBondContact O-N 3.28Å
283	L	90.5	Very high	90.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.8	179	-68.3	169.1	0	0	0	112.6	D6 G9 V10 L13 L244 L273 D280 L288 T289	D6-L283 HydrophobicContact CB-CB 4.15Å; G9-L283 WeakPolarHBondContact CA-O 3.37Å; V10-L283 HydrophobicContact CG2-CD1 4.15Å; V10-L283 HydrophobicContact CG2-CD2 4.22Å; L13-L283 HydrophobicContact CD1-CD2 3.68Å; L244-L283 HydrophobicContact CD1-CD2 4.33Å; L273-L283 HydrophobicContact CD1-CD1 4.29Å; L273-L283 HydrophobicContact CD2-CD1 3.92Å; L273-L283 HydrophobicContact CG-CD1 4.14Å; D280-L283 HydrophobicContact CB-CB 4.28Å; D280-L283 WeakPolarHBondContact OD2-CB 3.49Å; D280-L283 VanDerWaalsContact OD2-CG 3.31Å; D280-L283 WeakPolarHBondContact OD2-CG 3.18Å; D280-L283 PolarHBondContact OD2-N 3.44Å; L283-L288 HydrophobicContact CD2-CD2 4.18Å; L283-T289 WeakPolarHBondContact O-CG2 3.33Å
284	S	91.2	Very high	90.8	Very high	31 Å²	31	51.3 Å²	51.3	22%	0.217	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5.8	176.6	-52.9	0	0	0	0	113.9	D280 I282 R286	D280-S284 WeakPolarHBondContact O-CB 3.35Å; D280-S284 PolarHBondContact O-N 3.19Å; D280-S284 PolarHBondContact O-OG 2.93Å; I282-S284 PolarHBondContact O-N 3.5Å; S284-R286 PolarHBondContact O-N 3.25Å
285	V	94.5	Very high	91.1	Very high	72 Å²	72	51.6 Å²	51.6	44%	0.436	26%	0.256	S	S	.	.			trans	-55.9	134.7	174.7	169.4	0	0	0	0	110.1	E281 I282 V287 L288 T289	E281-V285 WeakPolarHBondContact O-CG2 3.49Å; E281-V285 PolarHBondContact O-N 2.96Å; I282-V285 WeakPolarHBondContact O-CG2 3.46Å; I282-V285 PolarHBondContact O-N 3.28Å; V285-V287 VanDerWaalsContact C-N 3.28Å; V285-V287 HydrophobicContact CG1-CB 4.35Å; V285-V287 PolarHBondContact O-N 3.48Å; V285-L288 PolarHBondContact O-N 2.87Å; V285-L288 VanDerWaalsContact O-N 3.16Å; V285-T289 WeakPolarHBondContact O-CG2 3.38Å; V285-T289 PolarHBondContact O-N 2.81Å; V285-T289 PolarHBondContact O-OG1 3.18Å
286	R	94.3	Very high	91.4	Very high	219 Å²	219	51.8 Å²	51.8	83%	0.826	26%	0.256	S	S	*	.	H	α-helix	trans	-56.2	-39.5	-174.2	-170.6	175.1	-179.8	-178.1	-0.8	113.4	S284 T289 Y290	S284-R286 PolarHBondContact O-N 3.25Å; R286-T289 WeakPolarHBondContact CA-OG1 3.5Å; R286-T289 PolarHBondContact O-OG1 3.43Å; R286-Y290 VanDerWaalsContact O-CB 3.28Å; R286-Y290 WeakPolarHBondContact O-CB 3.42Å; R286-Y290 PolarHBondContact O-N 2.83Å
287	V	96.5	Very high	91.9	Very high	103 Å²	103	51.6 Å²	51.6	62%	0.624	26%	0.255	S	S	*	.	H	α-helix	trans	-65.7	-49.1	178.7	178.6	0	0	0	0	110.8	V285 T289 Y290 I291	V285-V287 VanDerWaalsContact C-N 3.28Å; V285-V287 HydrophobicContact CG1-CB 4.35Å; V285-V287 PolarHBondContact O-N 3.48Å; V287-T289 PolarHBondContact O-N 3.29Å; V287-Y290 PolarHBondContact O-N 3.26Å; V287-I291 HydrophobicContact CG1-CD1 4.08Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 3.28Å
288	L	96	Very high	92.5	Very high	24 Å²	24	52 Å²	52	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-40.6	-177.6	-174.4	63.9	0	0	0	112	L13 L16 L283 V285 Y290 I291 G292	L13-L288 HydrophobicContact CD2-CD1 4.04Å; L13-L288 HydrophobicContact CD2-CD2 4.37Å; L13-L288 HydrophobicContact CG-CD1 4.2Å; L13-L288 HydrophobicContact CG-CD2 4.23Å; L16-L288 HydrophobicContact CD1-CD1 4.34Å; L283-L288 HydrophobicContact CD2-CD2 4.18Å; V285-L288 PolarHBondContact O-N 2.87Å; V285-L288 VanDerWaalsContact O-N 3.16Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; L288-Y290 PolarHBondContact O-N 3.48Å; L288-I291 PolarHBondContact O-N 2.75Å; L288-G292 PolarHBondContact O-N 3.41Å
289	T	96	Very high	93.4	Very high	13 Å²	13	50.9 Å²	50.9	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-35.3	175.5	52.8	0	0	0	0	112	L5 Q8 L283 V285 R286 V287 G292 D293	L5-T289 HydrophobicContact CB-CG2 4.11Å; Q8-T289 HydrophobicContact CB-CG2 4.36Å; Q8-T289 VanDerWaalsContact CG-O 3.26Å; Q8-T289 WeakPolarHBondContact CG-O 3.44Å; L283-T289 WeakPolarHBondContact O-CG2 3.33Å; V285-T289 WeakPolarHBondContact O-CG2 3.38Å; V285-T289 PolarHBondContact O-N 2.81Å; V285-T289 PolarHBondContact O-OG1 3.18Å; R286-T289 WeakPolarHBondContact CA-OG1 3.5Å; R286-T289 PolarHBondContact O-OG1 3.43Å; V287-T289 PolarHBondContact O-N 3.29Å; T289-G292 CarbonylContact O-C 3.59Å; T289-G292 WeakPolarHBondContact O-CA 3.44Å; T289-G292 PolarHBondContact O-N 2.83Å; T289-D293 PolarHBondContact O-N 2.78Å
290	Y	97	Very high	94.5	Very high	77 Å²	77	45 Å²	45	30%	0.302	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-42.5	173	-174.1	-106.4	0	0	0	112.5	R286 V287 L288 G292 D293 V294 V335 F338 E339	R286-Y290 VanDerWaalsContact O-CB 3.28Å; R286-Y290 WeakPolarHBondContact O-CB 3.42Å; R286-Y290 PolarHBondContact O-N 2.83Å; V287-Y290 PolarHBondContact O-N 3.26Å; L288-Y290 VanDerWaalsContact C-N 3.33Å; L288-Y290 PolarHBondContact O-N 3.48Å; Y290-G292 PolarHBondContact O-N 3.24Å; Y290-D293 WeakPolarHBondContact O-CA 3.25Å; Y290-D293 WeakPolarHBondContact O-CB 3.34Å; Y290-D293 PolarHBondContact O-N 3.44Å; Y290-V294 HydrophobicContact CD1-CG2 4.23Å; Y290-V294 HydrophobicContact CE1-CG2 3.78Å; Y290-V294 HydrophobicContact CE2-CG2 4.25Å; Y290-V294 WeakPolarHBondContact O-CG2 3.38Å; Y290-V294 PolarHBondContact O-N 2.98Å; Y290-V335 HydrophobicContact CE1-CG2 4.48Å; Y290-F338 HydrophobicContact CE2-CD1 4.33Å; Y290-F338 AromaticContact CE2-CE1 3.9Å; Y290-F338 HydrophobicContact CE2-CE1 3.9Å; Y290-E339 VanDerWaalsContact CE2-OE1 3.29Å; Y290-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y290-E339 PolarHBondContact OH-OE1 2.8Å
291	I	97.9	Very high	95.3	Very high	45 Å²	45	45 Å²	45	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-41.5	171.8	-66.1	165.3	0	0	0	109.9	I15 L16 V287 L288 D293 V294 S295	I15-I291 HydrophobicContact CG2-CG2 3.54Å; L16-I291 HydrophobicContact CD1-CD1 4.41Å; L16-I291 HydrophobicContact CD2-CG2 4.46Å; L16-I291 HydrophobicContact CG-CG2 4.25Å; V287-I291 HydrophobicContact CG1-CD1 4.08Å; V287-I291 WeakPolarHBondContact O-CG1 3.37Å; V287-I291 PolarHBondContact O-N 3.28Å; L288-I291 PolarHBondContact O-N 2.75Å; I291-D293 VanDerWaalsContact C-N 3.34Å; I291-D293 PolarHBondContact O-N 3.47Å; I291-V294 PolarHBondContact O-N 3.31Å; I291-S295 WeakPolarHBondContact O-CA 3.38Å; I291-S295 PolarHBondContact O-N 3.06Å
292	G	97.2	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-44.3	170.8	0	0	0	0	0	112.8	Q8 L288 T289 Y290 V294 S295	Q8-G292 PolarHBondContact NE2-O 3.49Å; Q8-G292 WeakPolarHBondContact O-CA 2.85Å; L288-G292 PolarHBondContact O-N 3.41Å; T289-G292 CarbonylContact O-C 3.59Å; T289-G292 WeakPolarHBondContact O-CA 3.44Å; T289-G292 PolarHBondContact O-N 2.83Å; Y290-G292 PolarHBondContact O-N 3.24Å; G292-V294 VanDerWaalsContact C-N 3.33Å; G292-V294 PolarHBondContact O-N 3.28Å; G292-S295 VanDerWaalsContact O-CB 3.23Å; G292-S295 WeakPolarHBondContact O-CB 3.28Å; G292-S295 PolarHBondContact O-N 2.68Å; G292-S295 PolarHBondContact O-OG 3.24Å
293	D	95.7	Very high	96.3	Very high	47 Å²	47	33.9 Å²	33.9	25%	0.251	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-41.1	179.5	-78.7	-23.8	0	0	0	111.5	Q8 T289 Y290 I291 S295 F338	Q8-D293 WeakPolarHBondContact CG-OD1 3.43Å; Q8-D293 PolarHBondContact NE2-OD1 2.66Å; T289-D293 PolarHBondContact O-N 2.78Å; Y290-D293 WeakPolarHBondContact O-CA 3.25Å; Y290-D293 WeakPolarHBondContact O-CB 3.34Å; Y290-D293 PolarHBondContact O-N 3.44Å; I291-D293 VanDerWaalsContact C-N 3.34Å; I291-D293 PolarHBondContact O-N 3.47Å; D293-S295 VanDerWaalsContact C-N 3.32Å; D293-F338 HydrophobicContact CB-CE1 4.11Å; D293-F338 HydrophobicContact CB-CE2 4.17Å; D293-F338 HydrophobicContact CB-CZ 3.61Å; D293-F338 WeakPolarHBondContact O-CE2 3.15Å
294	V	97.4	Very high	96.5	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-79.3	-12.4	177.4	-177.1	0	0	0	0	112.6	Y290 I291 G292 Y296 S297 L298 V335 F338	Y290-V294 HydrophobicContact CD1-CG2 4.23Å; Y290-V294 HydrophobicContact CE1-CG2 3.78Å; Y290-V294 HydrophobicContact CE2-CG2 4.25Å; Y290-V294 WeakPolarHBondContact O-CG2 3.38Å; Y290-V294 PolarHBondContact O-N 2.98Å; I291-V294 PolarHBondContact O-N 3.31Å; G292-V294 VanDerWaalsContact C-N 3.33Å; G292-V294 PolarHBondContact O-N 3.28Å; V294-Y296 PolarHBondContact O-N 3.17Å; V294-S297 WeakPolarHBondContact CG1-OG 3.26Å; V294-S297 PolarHBondContact O-N 2.84Å; V294-S297 VanDerWaalsContact O-N 3.15Å; V294-S297 PolarHBondContact O-OG 3.41Å; V294-L298 HydrophobicContact CG1-CB 4.33Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 PolarHBondContact O-N 3.34Å; V294-V335 HydrophobicContact CG1-CG2 4.17Å; V294-V335 HydrophobicContact CG2-CG2 4.39Å; V294-F338 HydrophobicContact CG1-CB 4.42Å; V294-F338 HydrophobicContact CG2-CB 4.2Å; V294-F338 HydrophobicContact CG2-CD1 3.58Å; V294-F338 HydrophobicContact CG2-CE1 4.1Å; V294-F338 HydrophobicContact CG2-CG 3.92Å
295	S	97.7	Very high	96.8	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-53.7	-34.7	-170.7	63.5	0	0	0	0	114.4	I291 G292 D293 Y299	I291-S295 WeakPolarHBondContact O-CA 3.38Å; I291-S295 PolarHBondContact O-N 3.06Å; G292-S295 VanDerWaalsContact O-CB 3.23Å; G292-S295 WeakPolarHBondContact O-CB 3.28Å; G292-S295 PolarHBondContact O-N 2.68Å; G292-S295 PolarHBondContact O-OG 3.24Å; D293-S295 VanDerWaalsContact C-N 3.32Å; S295-Y299 VanDerWaalsContact O-CB 3.23Å; S295-Y299 WeakPolarHBondContact O-CB 3.41Å; S295-Y299 PolarHBondContact O-N 3.47Å
296	Y	97.3	Very high	96.8	Very high	27 Å²	27	30.8 Å²	30.8	11%	0.106	14%	0.143	C	C	.	.	H	α-helix	trans	-69.4	-51.7	180	178.4	-124.9	0	0	0	112.1	I77 L80 L143 V294 L298 Y299 L300	I77-Y296 WeakPolarHBondContact CA-OH 3.35Å; I77-Y296 WeakPolarHBondContact CG2-OH 3.49Å; I77-Y296 PolarHBondContact O-OH 3.22Å; L80-Y296 HydrophobicContact CB-CE1 4.02Å; L80-Y296 HydrophobicContact CD2-CD1 3.73Å; L80-Y296 HydrophobicContact CD2-CE1 3.8Å; L80-Y296 HydrophobicContact CG-CE1 4.23Å; L143-Y296 HydrophobicContact CD1-CE2 4.14Å; L143-Y296 HydrophobicContact CD2-CE2 4.21Å; V294-Y296 PolarHBondContact O-N 3.17Å; Y296-L298 VanDerWaalsContact C-N 3.28Å; Y296-L298 PolarHBondContact O-N 3.17Å; Y296-Y299 PolarHBondContact O-N 2.98Å; Y296-L300 HydrophobicContact CD2-CD1 4.37Å; Y296-L300 HydrophobicContact CE1-CD1 4.07Å; Y296-L300 HydrophobicContact CE2-CD1 3.73Å; Y296-L300 HydrophobicContact CE2-CG 4.1Å; Y296-L300 WeakPolarHBondContact O-CG 3.49Å; Y296-L300 PolarHBondContact O-N 3.06Å; Y296-L300 VanDerWaalsContact O-N 3.14Å
297	S	97.6	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.7	-42.7	172.2	46.8	0	0	0	0	112	V294 L300 I301 S334	V294-S297 WeakPolarHBondContact CG1-OG 3.26Å; V294-S297 PolarHBondContact O-N 2.84Å; V294-S297 VanDerWaalsContact O-N 3.15Å; V294-S297 PolarHBondContact O-OG 3.41Å; S297-L300 PolarHBondContact O-N 3.39Å; S297-I301 WeakPolarHBondContact O-CB 3.33Å; S297-I301 WeakPolarHBondContact O-CG1 3.33Å; S297-I301 PolarHBondContact O-N 3.43Å; S297-S334 PolarHBondContact OG-O 2.88Å
298	L	98.3	Very high	96.5	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.052	8%	0.083	C	C	.	.	H	α-helix	trans	-65.7	-42.6	-178.7	-172.1	52.3	0	0	0	112	I15 L19 V294 Y296 L300 I301 H302 V331 S334	I15-L298 HydrophobicContact CD1-CG 4.4Å; I15-L298 HydrophobicContact CG1-CB 4.2Å; I15-L298 HydrophobicContact CG1-CD2 3.9Å; I15-L298 HydrophobicContact CG1-CG 3.98Å; L19-L298 HydrophobicContact CD1-CD1 4.42Å; L19-L298 HydrophobicContact CD1-CD2 3.67Å; L19-L298 HydrophobicContact CD1-CG 3.99Å; V294-L298 HydrophobicContact CG1-CB 4.33Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 PolarHBondContact O-N 3.34Å; Y296-L298 VanDerWaalsContact C-N 3.28Å; Y296-L298 PolarHBondContact O-N 3.17Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 PolarHBondContact O-N 3.22Å; L298-I301 PolarHBondContact O-N 3.35Å; L298-H302 HydrophobicContact CD1-CB 4.38Å; L298-H302 WeakPolarHBondContact O-CB 3.28Å; L298-H302 PolarHBondContact O-N 2.82Å; L298-H302 PolarHBondContact O-ND1 2.92Å; L298-V331 HydrophobicContact CD1-CG2 4.33Å; L298-S334 VanDerWaalsContact CA-OG 3.24Å; L298-S334 WeakPolarHBondContact CA-OG 3.35Å; L298-S334 WeakPolarHBondContact CD1-OG 3.34Å
299	Y	98.1	Very high	96.3	Very high	14 Å²	14	16.7 Å²	16.7	6%	0.055	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-43.5	174.8	-172.5	-101.1	0	0	0	111.9	I15 V18 H139 S142 S295 Y296 H302	I15-Y299 HydrophobicContact CD1-CD2 4.09Å; V18-Y299 HydrophobicContact CG1-CD2 4.13Å; V18-Y299 HydrophobicContact CG1-CE2 3.92Å; H139-Y299 PolarHBondContact CD2-O 2.83Å; H139-Y299 PolarHBondContact O-OH 3.36Å; S142-Y299 WeakPolarHBondContact OG-CE1 3.32Å; S142-Y299 VanDerWaalsContact OG-CZ 3.23Å; S142-Y299 PolarHBondContact OG-OH 3.16Å; S295-Y299 VanDerWaalsContact O-CB 3.23Å; S295-Y299 WeakPolarHBondContact O-CB 3.41Å; S295-Y299 PolarHBondContact O-N 3.47Å; Y296-Y299 PolarHBondContact O-N 2.98Å; Y299-H302 WeakPolarHBondContact CA-ND1 3.49Å; Y299-H302 PolarHBondContact O-CE1 2.84Å; Y299-H302 PolarHBondContact O-ND1 3Å
300	L	97.8	Very high	96	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-70.9	-42.5	-179.1	-69.9	178.9	0	0	0	113.3	L80 Y81 V84 H139 L143 Y296 S297 L298 P304	L80-L300 HydrophobicContact CD2-CD1 4.49Å; L80-L300 HydrophobicContact CG-CD1 4.16Å; Y81-L300 HydrophobicContact CD2-CD1 4.29Å; Y81-L300 HydrophobicContact CD2-CD2 3.77Å; Y81-L300 HydrophobicContact CE2-CD2 4.1Å; V84-L300 HydrophobicContact CB-CB 4.27Å; V84-L300 HydrophobicContact CG1-CB 4.04Å; V84-L300 HydrophobicContact CG2-CB 3.99Å; V84-L300 HydrophobicContact CG2-CD1 4.26Å; H139-L300 PolarHBondContact NE2-O 2.84Å; L143-L300 HydrophobicContact CD2-CD2 4.13Å; Y296-L300 HydrophobicContact CD2-CD1 4.37Å; Y296-L300 HydrophobicContact CE1-CD1 4.07Å; Y296-L300 HydrophobicContact CE2-CD1 3.73Å; Y296-L300 HydrophobicContact CE2-CG 4.1Å; Y296-L300 WeakPolarHBondContact O-CG 3.49Å; Y296-L300 PolarHBondContact O-N 3.06Å; Y296-L300 VanDerWaalsContact O-N 3.14Å; S297-L300 PolarHBondContact O-N 3.39Å; L298-L300 VanDerWaalsContact C-N 3.32Å; L298-L300 PolarHBondContact O-N 3.22Å; L300-P304 WeakPolarHBondContact O-CD 3.37Å
301	I	98.2	Very high	95.4	Very high	17 Å²	17	17.5 Å²	17.5	9%	0.087	8%	0.084	C	C	.	.	H	α-helix	trans	-85.2	-35.5	-168.4	-69.5	165.8	0	0	0	112.8	V84 S297 L298 W303 P304 I305 L333 S337	V84-I301 HydrophobicContact CG2-CD1 4.42Å; V84-I301 HydrophobicContact CG2-CG1 3.84Å; S297-I301 WeakPolarHBondContact O-CB 3.33Å; S297-I301 WeakPolarHBondContact O-CG1 3.33Å; S297-I301 PolarHBondContact O-N 3.43Å; L298-I301 PolarHBondContact O-N 3.35Å; I301-W303 VanDerWaalsContact C-N 3.28Å; I301-W303 PolarHBondContact O-N 3.39Å; I301-P304 WeakPolarHBondContact O-CD 3.39Å; I301-I305 HydrophobicContact CG2-CD1 3.59Å; I301-I305 WeakPolarHBondContact O-CD1 3.06Å; I301-I305 WeakPolarHBondContact O-CG1 3.18Å; I301-L333 HydrophobicContact CG2-CB 4.06Å; I301-S337 WeakPolarHBondContact CD1-OG 3.27Å
302	H	97.3	Very high	94.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.9	-34	-172.7	77.9	-77.5	0	0	0	113.2	L19 H22 F23 L298 Y299 I305 Y306	L19-H302 HydrophobicContact CD2-CB 3.81Å; H22-H302 AromaticContact CE1-NE2 3.56Å; H22-H302 AromaticContact CG-NE2 3.97Å; H22-H302 AromaticContact ND1-CD2 3.7Å; H22-H302 AromaticContact ND1-CE1 3.89Å; H22-H302 AromaticContact ND1-NE2 2.84Å; H22-H302 PolarHBondContact ND1-NE2 3.31Å; F23-H302 HydrophobicContact CE2-CB 4.24Å; L298-H302 HydrophobicContact CD1-CB 4.38Å; L298-H302 WeakPolarHBondContact O-CB 3.28Å; L298-H302 PolarHBondContact O-N 2.82Å; L298-H302 PolarHBondContact O-ND1 2.92Å; Y299-H302 WeakPolarHBondContact CA-ND1 3.49Å; Y299-H302 PolarHBondContact O-CE1 2.84Å; Y299-H302 PolarHBondContact O-ND1 3Å; H302-I305 PolarHBondContact O-N 3.21Å; H302-Y306 WeakPolarHBondContact O-CB 3.43Å; H302-Y306 PolarHBondContact O-N 3.1Å
303	W	95.8	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.6	-50	-169.6	-179	-90.7	0	0	0	113.7	H22 L130 A133 D135 I136 T138 H139 I301 I305 Y306 A307	H22-W303 HydrophobicContact CB-CE3 4.42Å; H22-W303 HydrophobicContact CB-CZ3 4.13Å; H22-W303 AromaticContact CD2-CZ3 3.71Å; H22-W303 AromaticContact CE1-CE3 3.65Å; H22-W303 AromaticContact CE1-CZ3 3.88Å; H22-W303 AromaticContact CG-CE3 3.85Å; H22-W303 AromaticContact CG-CZ3 3.64Å; H22-W303 AromaticContact ND1-CE3 3.48Å; H22-W303 AromaticContact ND1-CZ3 3.75Å; H22-W303 AromaticContact NE2-CZ3 3.9Å; L130-W303 HydrophobicContact CB-CH2 4.31Å; L130-W303 HydrophobicContact CD1-CE3 4.42Å; L130-W303 HydrophobicContact CD1-CH2 3.19Å; L130-W303 HydrophobicContact CD1-CZ2 3.7Å; L130-W303 HydrophobicContact CD1-CZ3 3.58Å; L130-W303 HydrophobicContact CG-CH2 3.41Å; L130-W303 VanDerWaalsContact CG-CH2 3.41Å; L130-W303 HydrophobicContact CG-CZ2 4.3Å; L130-W303 HydrophobicContact CG-CZ3 3.81Å; A133-W303 HydrophobicContact CB-CH2 4.43Å; A133-W303 HydrophobicContact CB-CZ2 4.19Å; D135-W303 PolarHBondContact O-NE1 3.19Å; I136-W303 VanDerWaalsContact O-CD1 3.3Å; T138-W303 HydrophobicContact CG2-CD2 4.31Å; T138-W303 HydrophobicContact CG2-CH2 4.38Å; T138-W303 HydrophobicContact CG2-CZ2 3.39Å; T138-W303 VanDerWaalsContact CG2-NE1 3.33Å; H139-W303 HydrophobicContact CB-CB 4.03Å; H139-W303 HydrophobicContact CB-CD2 4.23Å; H139-W303 HydrophobicContact CB-CG 3.82Å; H139-W303 AromaticContact CE1-CD1 3.71Å; H139-W303 AromaticContact CE1-CG 3.99Å; H139-W303 VanDerWaalsContact CG-CB 3.5Å; H139-W303 AromaticContact CG-CD1 3.77Å; H139-W303 AromaticContact CG-CG 3.59Å; H139-W303 AromaticContact ND1-CD1 3.19Å; H139-W303 AromaticContact ND1-CG 3.5Å; I301-W303 VanDerWaalsContact C-N 3.28Å; I301-W303 PolarHBondContact O-N 3.39Å; W303-I305 PolarHBondContact O-N 3.21Å; W303-Y306 HydrophobicContact CE3-CD1 4.02Å; W303-Y306 AromaticContact CH2-CD1 3.94Å; W303-Y306 HydrophobicContact CH2-CD1 3.94Å; W303-Y306 AromaticContact CH2-CE1 3.89Å; W303-Y306 HydrophobicContact CH2-CE1 3.89Å; W303-Y306 AromaticContact CZ3-CD1 3.69Å; W303-Y306 HydrophobicContact CZ3-CD1 3.69Å; W303-Y306 AromaticContact CZ3-CE1 3.88Å; W303-Y306 HydrophobicContact CZ3-CE1 3.88Å; W303-Y306 PolarHBondContact O-N 3.45Å; W303-Y306 VanDerWaalsContact O-N 3.15Å; W303-A307 WeakPolarHBondContact O-CB 3.34Å; W303-A307 PolarHBondContact O-N 2.81Å
304	P	95.7	Very high	94.1	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.032	9%	0.093	C	C	.	.	H	α-helix	trans	-56.2	-35.6	175.1	-24.7	31.8	0	0	0	113.3	S88 I136 L300 I301 Y308	S88-P304 VanDerWaalsContact OG-CG 3.25Å; S88-P304 WeakPolarHBondContact OG-CG 3.38Å; I136-P304 HydrophobicContact CB-CB 4.27Å; L300-P304 WeakPolarHBondContact O-CD 3.37Å; I301-P304 WeakPolarHBondContact O-CD 3.39Å; P304-Y308 PolarHBondContact O-N 3.07Å; P304-Y308 VanDerWaalsContact O-N 3.1Å
305	I	95.7	Very high	93.3	Very high	22 Å²	22	23.2 Å²	23.2	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-73.5	-42.1	179.5	-50.6	174.4	0	0	0	110.3	I301 H302 W303 Y308 W309 I326 I329 L333	I301-I305 HydrophobicContact CG2-CD1 3.59Å; I301-I305 WeakPolarHBondContact O-CD1 3.06Å; I301-I305 WeakPolarHBondContact O-CG1 3.18Å; H302-I305 PolarHBondContact O-N 3.21Å; W303-I305 PolarHBondContact O-N 3.21Å; I305-Y308 PolarHBondContact O-N 3.09Å; I305-W309 PolarHBondContact O-N 2.92Å; I305-I326 HydrophobicContact CB-CG2 4.24Å; I305-I326 HydrophobicContact CG2-CB 4.28Å; I305-I326 HydrophobicContact CG2-CD1 3.49Å; I305-I326 VanDerWaalsContact CG2-CD1 3.49Å; I305-I326 HydrophobicContact CG2-CG1 4.43Å; I305-I326 HydrophobicContact CG2-CG2 3.49Å; I305-I326 VanDerWaalsContact CG2-CG2 3.49Å; I305-I329 HydrophobicContact CD1-CG2 4.31Å; I305-L333 HydrophobicContact CD1-CD1 3.92Å
306	Y	94.7	Very high	92.3	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-42.9	172.2	171.4	-98.3	0	0	0	112.1	H22 F23 A133 H302 W303 Y308 W309 K310 L323	H22-Y306 WeakPolarHBondContact O-CE2 3.04Å; H22-Y306 PolarHBondContact O-OH 3.4Å; F23-Y306 HydrophobicContact CD1-CD2 4.28Å; F23-Y306 HydrophobicContact CE1-CD2 4.26Å; F23-Y306 HydrophobicContact CG-CD2 4.47Å; F23-Y306 HydrophobicContact CZ-CD2 4.48Å; A133-Y306 HydrophobicContact CB-CD1 4.5Å; A133-Y306 HydrophobicContact CB-CE1 4.11Å; H302-Y306 WeakPolarHBondContact O-CB 3.43Å; H302-Y306 PolarHBondContact O-N 3.1Å; W303-Y306 HydrophobicContact CE3-CD1 4.02Å; W303-Y306 AromaticContact CH2-CD1 3.94Å; W303-Y306 HydrophobicContact CH2-CD1 3.94Å; W303-Y306 AromaticContact CH2-CE1 3.89Å; W303-Y306 HydrophobicContact CH2-CE1 3.89Å; W303-Y306 AromaticContact CZ3-CD1 3.69Å; W303-Y306 HydrophobicContact CZ3-CD1 3.69Å; W303-Y306 AromaticContact CZ3-CE1 3.88Å; W303-Y306 HydrophobicContact CZ3-CE1 3.88Å; W303-Y306 PolarHBondContact O-N 3.45Å; W303-Y306 VanDerWaalsContact O-N 3.15Å; Y306-Y308 VanDerWaalsContact C-N 3.34Å; Y306-Y308 PolarHBondContact O-N 2.86Å; Y306-W309 AromaticContact CD2-CE3 3.94Å; Y306-W309 HydrophobicContact CD2-CE3 3.94Å; Y306-W309 HydrophobicContact CD2-CZ3 4.36Å; Y306-W309 AromaticContact CE2-CE3 3.61Å; Y306-W309 HydrophobicContact CE2-CE3 3.61Å; Y306-W309 AromaticContact CE2-CZ3 3.58Å; Y306-W309 HydrophobicContact CE2-CZ3 3.58Å; Y306-W309 WeakPolarHBondContact O-CB 3.48Å; Y306-W309 PolarHBondContact O-N 3.4Å; Y306-W309 VanDerWaalsContact O-N 3.15Å; Y306-K310 PolarHBondContact O-N 2.91Å; Y306-L323 HydrophobicContact CD2-CD1 4.26Å; Y306-L323 HydrophobicContact CE2-CD1 4.26Å
307	A	92.1	Very high	91.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-43.9	177.3	0	0	0	0	0	111.6	A133 I136 W303 W309 K310 L311	A133-A307 HydrophobicContact CB-CB 4.27Å; A133-A307 WeakPolarHBondContact O-CB 3.39Å; I136-A307 HydrophobicContact CB-CB 4.42Å; I136-A307 HydrophobicContact CG2-CB 3.92Å; W303-A307 WeakPolarHBondContact O-CB 3.34Å; W303-A307 PolarHBondContact O-N 2.81Å; A307-W309 PolarHBondContact O-N 3.41Å; A307-K310 PolarHBondContact O-N 3.48Å; A307-L311 WeakPolarHBondContact O-CB 3.39Å; A307-L311 VanDerWaalsContact O-CG 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.3Å; A307-L311 PolarHBondContact O-N 3.01Å
308	Y	92.5	Very high	90.8	Very high	47 Å²	47	31.7 Å²	31.7	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-44.3	172.3	170	-108.7	0	0	0	112.9	F91 M95 I96 P304 I305 Y306 K310 L311 V312 L313 I326	F91-Y308 HydrophobicContact CE1-CD2 4.47Å; F91-Y308 HydrophobicContact CE1-CG 4.16Å; F91-Y308 HydrophobicContact CE2-CG 4.45Å; F91-Y308 VanDerWaalsContact CZ-CB 3.4Å; F91-Y308 AromaticContact CZ-CD1 3.99Å; F91-Y308 HydrophobicContact CZ-CD1 3.99Å; F91-Y308 AromaticContact CZ-CD2 3.86Å; F91-Y308 HydrophobicContact CZ-CD2 3.86Å; F91-Y308 AromaticContact CZ-CG 3.49Å; F91-Y308 HydrophobicContact CZ-CG 3.49Å; F91-Y308 VanDerWaalsContact CZ-CG 3.49Å; M95-Y308 HydrophobicContact CB-CD2 4.05Å; M95-Y308 HydrophobicContact CB-CE2 3.9Å; M95-Y308 WeakPolarHBondContact O-CD2 3.36Å; M95-Y308 VanDerWaalsContact O-CE2 3.23Å; M95-Y308 WeakPolarHBondContact O-CE2 3.4Å; I96-Y308 HydrophobicContact CD1-CD2 4.23Å; P304-Y308 PolarHBondContact O-N 3.07Å; P304-Y308 VanDerWaalsContact O-N 3.1Å; I305-Y308 PolarHBondContact O-N 3.09Å; Y306-Y308 VanDerWaalsContact C-N 3.34Å; Y306-Y308 PolarHBondContact O-N 2.86Å; Y308-K310 VanDerWaalsContact C-N 3.3Å; Y308-K310 PolarHBondContact O-N 3.49Å; Y308-L311 PolarHBondContact O-N 3.49Å; Y308-V312 HydrophobicContact CD2-CB 3.98Å; Y308-V312 HydrophobicContact CD2-CG2 3.67Å; Y308-V312 HydrophobicContact CE2-CB 3.72Å; Y308-V312 HydrophobicContact CE2-CG1 3.88Å; Y308-V312 HydrophobicContact CE2-CG2 3.67Å; Y308-V312 WeakPolarHBondContact O-CB 3.32Å; Y308-V312 PolarHBondContact O-N 2.9Å; Y308-L313 HydrophobicContact CD1-CD1 4.15Å; Y308-L313 HydrophobicContact CE1-CD1 3.64Å; Y308-L313 HydrophobicContact CE1-CG 3.99Å; Y308-I326 HydrophobicContact CD1-CD1 4.23Å
309	W	93.3	Very high	90.2	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.011	23%	0.228	C	C	.	.	I	π-helix	trans	-56.5	-48.8	174.1	169	80.8	0	0	0	111	I305 Y306 A307 L311 L313 S314 N320 L323 I326	I305-W309 PolarHBondContact O-N 2.92Å; Y306-W309 AromaticContact CD2-CE3 3.94Å; Y306-W309 HydrophobicContact CD2-CE3 3.94Å; Y306-W309 HydrophobicContact CD2-CZ3 4.36Å; Y306-W309 AromaticContact CE2-CE3 3.61Å; Y306-W309 HydrophobicContact CE2-CE3 3.61Å; Y306-W309 AromaticContact CE2-CZ3 3.58Å; Y306-W309 HydrophobicContact CE2-CZ3 3.58Å; Y306-W309 WeakPolarHBondContact O-CB 3.48Å; Y306-W309 PolarHBondContact O-N 3.4Å; Y306-W309 VanDerWaalsContact O-N 3.15Å; A307-W309 PolarHBondContact O-N 3.41Å; W309-L311 PolarHBondContact O-N 3.21Å; W309-L313 HydrophobicContact CG-CB 4.39Å; W309-L313 CarbonylContact O-C 3.29Å; W309-L313 WeakPolarHBondContact O-CA 3.27Å; W309-L313 WeakPolarHBondContact O-CB 3.33Å; W309-L313 PolarHBondContact O-N 2.88Å; W309-S314 PolarHBondContact O-N 3.44Å; W309-N320 PolarHBondContact NE1-OD1 2.76Å; W309-L323 HydrophobicContact CD2-CB 4.33Å; W309-L323 HydrophobicContact CD2-CD1 3.65Å; W309-L323 HydrophobicContact CE3-CD1 3.68Å; W309-L323 HydrophobicContact CG-CD1 4.29Å; W309-L323 HydrophobicContact CH2-CD1 3.93Å; W309-L323 HydrophobicContact CH2-CD2 4.1Å; W309-L323 HydrophobicContact CH2-CG 4.42Å; W309-L323 HydrophobicContact CZ2-CB 3.8Å; W309-L323 HydrophobicContact CZ2-CD1 3.92Å; W309-L323 HydrophobicContact CZ2-CD2 4.06Å; W309-L323 HydrophobicContact CZ2-CG 4.14Å; W309-L323 HydrophobicContact CZ3-CD1 3.81Å; W309-I326 HydrophobicContact CB-CB 4.33Å; W309-I326 HydrophobicContact CB-CG1 4.05Å; W309-I326 HydrophobicContact CB-CG2 4.04Å
310	K	88.7	Confident	89.8	Confident	55 Å²	55	38.3 Å²	38.3	24%	0.239	24%	0.237	C	C	.	.	I	π-helix	trans	-62.9	-43.2	-177.3	-171.6	63.9	175.6	-179	0	111.9	S131 A133 Y306 A307 Y308 S314	S131-K310 VanDerWaalsContact O-CE 3.25Å; S131-K310 WeakPolarHBondContact O-CE 3.41Å; A133-K310 HydrophobicContact CB-CB 3.85Å; A133-K310 HydrophobicContact CB-CG 3.88Å; Y306-K310 PolarHBondContact O-N 2.91Å; A307-K310 PolarHBondContact O-N 3.48Å; Y308-K310 VanDerWaalsContact C-N 3.3Å; Y308-K310 PolarHBondContact O-N 3.49Å; K310-S314 WeakPolarHBondContact O-CB 3.49Å; K310-S314 PolarHBondContact O-OG 3.15Å
311	L	85.3	Confident	89.6	Confident	53 Å²	53	46 Å²	46	28%	0.277	27%	0.271	S	S	.	.	I	π-helix	trans	-77	-35.9	-175.8	-68.5	172.1	0	0	0	113.9	I96 A133 T134 A307 Y308 W309	I96-L311 HydrophobicContact CD1-CD1 4.38Å; I96-L311 HydrophobicContact CG2-CD1 4.39Å; A133-L311 WeakPolarHBondContact O-CD1 3.46Å; T134-L311 HydrophobicContact CG2-CD2 3.9Å; A307-L311 WeakPolarHBondContact O-CB 3.39Å; A307-L311 VanDerWaalsContact O-CG 3.27Å; A307-L311 WeakPolarHBondContact O-CG 3.3Å; A307-L311 PolarHBondContact O-N 3.01Å; Y308-L311 PolarHBondContact O-N 3.49Å; W309-L311 PolarHBondContact O-N 3.21Å
312	V	86.7	Confident	89.4	Confident	66 Å²	66	48.9 Å²	48.9	40%	0.4	28%	0.284	S	S	.	.	I	π-helix	trans	-115.5	-38.8	-168.5	-176.7	0	0	0	0	112.5	P97 Y308	P97-V312 HydrophobicContact CG-CG2 4.14Å; Y308-V312 HydrophobicContact CD2-CB 3.98Å; Y308-V312 HydrophobicContact CD2-CG2 3.67Å; Y308-V312 HydrophobicContact CE2-CB 3.72Å; Y308-V312 HydrophobicContact CE2-CG1 3.88Å; Y308-V312 HydrophobicContact CE2-CG2 3.67Å; Y308-V312 WeakPolarHBondContact O-CB 3.32Å; Y308-V312 PolarHBondContact O-N 2.9Å
313	L	89.3	Confident	89.2	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.188	29%	0.286	C	S	.	.	I	π-helix	trans	-103.6	-17.5	-169.5	-60.1	-177	0	0	0	113.8	Y308 W309 A315 N320 Q322 I326	Y308-L313 HydrophobicContact CD1-CD1 4.15Å; Y308-L313 HydrophobicContact CE1-CD1 3.64Å; Y308-L313 HydrophobicContact CE1-CG 3.99Å; W309-L313 HydrophobicContact CG-CB 4.39Å; W309-L313 CarbonylContact O-C 3.29Å; W309-L313 WeakPolarHBondContact O-CA 3.27Å; W309-L313 WeakPolarHBondContact O-CB 3.33Å; W309-L313 PolarHBondContact O-N 2.88Å; L313-A315 PolarHBondContact O-N 2.91Å; L313-N320 PolarHBondContact O-ND2 3.22Å; L313-Q322 HydrophobicContact CB-CB 4.33Å; L313-Q322 HydrophobicContact CD1-CB 4.26Å; L313-Q322 PolarHBondContact O-OE1 2.89Å; L313-I326 HydrophobicContact CD1-CD1 4.35Å; L313-I326 HydrophobicContact CD1-CG1 4.36Å
314	S	86.8	Confident	89.2	Confident	13 Å²	13	54 Å²	54	9%	0.091	31%	0.31	C	S	.	.			trans	-64.9	-31.8	-174.1	71.5	0	0	0	0	112.4	W309 K310 G316 S317	W309-S314 PolarHBondContact O-N 3.44Å; K310-S314 WeakPolarHBondContact O-CB 3.49Å; K310-S314 PolarHBondContact O-OG 3.15Å; S314-G316 PolarHBondContact O-N 3.19Å; S314-G316 VanDerWaalsContact O-N 3.13Å; S314-G316 PolarHBondContact OG-N 3.1Å; S314-S317 VanDerWaalsContact O-CB 3.27Å; S314-S317 WeakPolarHBondContact O-CB 3.28Å; S314-S317 PolarHBondContact O-N 2.88Å
315	A	79.8	Confident	89.2	Confident	101 Å²	101	57.9 Å²	57.9	84%	0.835	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	34.9	-172.8	0	0	0	0	0	112.5	L313 S317	L313-A315 PolarHBondContact O-N 2.91Å; A315-S317 VanDerWaalsContact C-N 3.25Å; A315-S317 PolarHBondContact O-N 2.99Å
316	G	77.5	Confident	89.2	Confident	74 Å²	74	57.3 Å²	57.3	76%	0.763	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-6.4	-176.5	0	0	0	0	0	115.4	S314	S314-G316 PolarHBondContact O-N 3.19Å; S314-G316 VanDerWaalsContact O-N 3.13Å; S314-G316 PolarHBondContact OG-N 3.1Å
317	S	81.7	Confident	89.4	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	34%	0.34	S	S	.	.			trans	-75	145.7	176.3	-173.1	0	0	0	0	112.5	S314 A315 M319	S314-S317 VanDerWaalsContact O-CB 3.27Å; S314-S317 WeakPolarHBondContact O-CB 3.28Å; S314-S317 PolarHBondContact O-N 2.88Å; A315-S317 VanDerWaalsContact C-N 3.25Å; A315-S317 PolarHBondContact O-N 2.99Å; S317-M319 PolarHBondContact OG-N 3.28Å; S317-M319 VanDerWaalsContact OG-N 3.16Å; S317-M319 PolarHBondContact OG-O 2.85Å
318	T	81.7	Confident	89.6	Confident	90 Å²	90	64.4 Å²	64.4	55%	0.552	36%	0.363	S	S	*	.	S	Bend	trans	-76.7	-29.3	169	54.6	0	0	0	0	112.2
319	M	84.9	Confident	89.9	Confident	118 Å²	118	65.2 Å²	65.2	58%	0.581	37%	0.37	S	S	*	.	S	Bend	trans	-143.2	131.4	179.6	-65.9	-177.6	68.6	0	0	110.9	L24 S317	L24-M319 HydrophobicContact CD2-CE 3.8Å; L24-M319 HydrophobicContact CD2-CG 4.44Å; L24-M319 HydrophobicContact CD2-SD 4.09Å; S317-M319 PolarHBondContact OG-N 3.28Å; S317-M319 VanDerWaalsContact OG-N 3.16Å; S317-M319 PolarHBondContact OG-O 2.85Å
320	N	90.3	Very high	90.1	Very high	45 Å²	45	65.1 Å²	65.1	24%	0.241	37%	0.369	C	S	.	.			trans	-147.5	171.3	171.8	69.3	11.5	0	0	0	110.6	W309 L313 Q322 L323	W309-N320 PolarHBondContact NE1-OD1 2.76Å; L313-N320 PolarHBondContact O-ND2 3.22Å; N320-Q322 PolarHBondContact ND2-OE1 3.18Å; N320-Q322 PolarHBondContact O-N 2.78Å; N320-Q322 WeakPolarHBondContact OD1-CB 3.43Å; N320-Q322 PolarHBondContact OD1-N 2.89Å; N320-L323 WeakPolarHBondContact O-CB 3.38Å; N320-L323 PolarHBondContact O-N 3.16Å; N320-L323 VanDerWaalsContact O-N 3.15Å; N320-L323 PolarHBondContact OD1-N 3.26Å
321	F	92.8	Very high	90.6	Very high	164 Å²	164	64.8 Å²	64.8	72%	0.719	37%	0.372	S	S	*	.	H	α-helix	trans	-59.9	-32	179	178.2	-102.1	0	0	0	112.8	L323 L324 L325	F321-L323 VanDerWaalsContact C-N 3.3Å; F321-L323 PolarHBondContact O-N 2.71Å; F321-L324 PolarHBondContact O-N 3.42Å; F321-L325 PolarHBondContact O-N 3.38Å
322	Q	94.3	Very high	91.2	Very high	77 Å²	77	66.2 Å²	66.2	36%	0.36	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-29.3	178.9	-67.1	163.5	-29.1	0	0	112.5	L313 N320 L325 I326	L313-Q322 HydrophobicContact CB-CB 4.33Å; L313-Q322 HydrophobicContact CD1-CB 4.26Å; L313-Q322 PolarHBondContact O-OE1 2.89Å; N320-Q322 PolarHBondContact ND2-OE1 3.18Å; N320-Q322 PolarHBondContact O-N 2.78Å; N320-Q322 WeakPolarHBondContact OD1-CB 3.43Å; N320-Q322 PolarHBondContact OD1-N 2.89Å; Q322-L325 PolarHBondContact O-N 3.48Å; Q322-I326 WeakPolarHBondContact O-CB 3.17Å; Q322-I326 VanDerWaalsContact O-CG1 3.23Å; Q322-I326 WeakPolarHBondContact O-CG1 3.23Å; Q322-I326 PolarHBondContact O-N 2.62Å
323	L	94.7	Very high	91.7	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-45.1	174.5	-177.8	60.9	0	0	0	111.2	F23 Y306 W309 N320 F321 L325 I326 F327	F23-L323 HydrophobicContact CD1-CD1 3.5Å; F23-L323 VanDerWaalsContact CD1-CD1 3.5Å; F23-L323 HydrophobicContact CD1-CG 4.16Å; F23-L323 HydrophobicContact CE1-CD1 4.03Å; F23-L323 HydrophobicContact CG-CD1 4.46Å; Y306-L323 HydrophobicContact CD2-CD1 4.26Å; Y306-L323 HydrophobicContact CE2-CD1 4.26Å; W309-L323 HydrophobicContact CD2-CB 4.33Å; W309-L323 HydrophobicContact CD2-CD1 3.65Å; W309-L323 HydrophobicContact CE3-CD1 3.68Å; W309-L323 HydrophobicContact CG-CD1 4.29Å; W309-L323 HydrophobicContact CH2-CD1 3.93Å; W309-L323 HydrophobicContact CH2-CD2 4.1Å; W309-L323 HydrophobicContact CH2-CG 4.42Å; W309-L323 HydrophobicContact CZ2-CB 3.8Å; W309-L323 HydrophobicContact CZ2-CD1 3.92Å; W309-L323 HydrophobicContact CZ2-CD2 4.06Å; W309-L323 HydrophobicContact CZ2-CG 4.14Å; W309-L323 HydrophobicContact CZ3-CD1 3.81Å; N320-L323 WeakPolarHBondContact O-CB 3.38Å; N320-L323 PolarHBondContact O-N 3.16Å; N320-L323 VanDerWaalsContact O-N 3.15Å; N320-L323 PolarHBondContact OD1-N 3.26Å; F321-L323 VanDerWaalsContact C-N 3.3Å; F321-L323 PolarHBondContact O-N 2.71Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-I326 PolarHBondContact O-N 3.49Å; L323-F327 WeakPolarHBondContact O-CB 3.35Å; L323-F327 PolarHBondContact O-N 2.99Å
324	L	95	Very high	92.1	Very high	96 Å²	96	64.9 Å²	64.9	50%	0.503	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.3	178.4	62.1	0	0	0	110.9	F321 I326 F327 L328	F321-L324 PolarHBondContact O-N 3.42Å; L324-I326 PolarHBondContact O-N 3.29Å; L324-F327 WeakPolarHBondContact O-CB 3.42Å; L324-F327 PolarHBondContact O-N 3.23Å; L324-L328 HydrophobicContact CD1-CD1 4.47Å; L324-L328 HydrophobicContact CD1-CG 4.42Å; L324-L328 HydrophobicContact CG-CD1 4.3Å; L324-L328 VanDerWaalsContact O-CG 3.32Å; L324-L328 WeakPolarHBondContact O-CG 3.5Å; L324-L328 PolarHBondContact O-N 2.88Å
325	L	96.6	Very high	92.7	Very high	87 Å²	87	66.4 Å²	66.4	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-45.4	177	-178.4	61.7	0	0	0	111.5	F321 Q322 L323 L328 I329	F321-L325 PolarHBondContact O-N 3.38Å; Q322-L325 PolarHBondContact O-N 3.48Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L325-L328 PolarHBondContact O-N 3.43Å; L325-I329 HydrophobicContact CD1-CD1 4.19Å; L325-I329 HydrophobicContact CD1-CG1 4.44Å; L325-I329 HydrophobicContact CG-CD1 3.87Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.23Å
326	I	95.8	Very high	93.5	Very high	11 Å²	11	65.4 Å²	65.4	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-37.4	179.7	-72.3	-78.8	0	0	0	111.6	F23 I305 Y308 W309 L313 Q322 L323 L324 I329 S330	F23-I326 HydrophobicContact CE1-CG2 4.19Å; I305-I326 HydrophobicContact CB-CG2 4.24Å; I305-I326 HydrophobicContact CG2-CB 4.28Å; I305-I326 HydrophobicContact CG2-CD1 3.49Å; I305-I326 VanDerWaalsContact CG2-CD1 3.49Å; I305-I326 HydrophobicContact CG2-CG1 4.43Å; I305-I326 HydrophobicContact CG2-CG2 3.49Å; I305-I326 VanDerWaalsContact CG2-CG2 3.49Å; Y308-I326 HydrophobicContact CD1-CD1 4.23Å; W309-I326 HydrophobicContact CB-CB 4.33Å; W309-I326 HydrophobicContact CB-CG1 4.05Å; W309-I326 HydrophobicContact CB-CG2 4.04Å; L313-I326 HydrophobicContact CD1-CD1 4.35Å; L313-I326 HydrophobicContact CD1-CG1 4.36Å; Q322-I326 WeakPolarHBondContact O-CB 3.17Å; Q322-I326 VanDerWaalsContact O-CG1 3.23Å; Q322-I326 WeakPolarHBondContact O-CG1 3.23Å; Q322-I326 PolarHBondContact O-N 2.62Å; L323-I326 PolarHBondContact O-N 3.49Å; L324-I326 PolarHBondContact O-N 3.29Å; I326-I329 PolarHBondContact O-N 3.23Å; I326-S330 WeakPolarHBondContact O-CB 3.4Å; I326-S330 PolarHBondContact O-N 3.25Å; I326-S330 PolarHBondContact O-OG 3.01Å
327	F	97.3	Very high	94.5	Very high	69 Å²	69	63 Å²	63	30%	0.303	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-49.4	170.6	176	-99.6	0	0	0	111.5	L19 F23 L323 L324 I329 S330 V331	L19-F327 HydrophobicContact CD1-CE2 4.27Å; F23-F327 HydrophobicContact CD1-CB 3.84Å; F23-F327 HydrophobicContact CD1-CD2 4.04Å; F23-F327 HydrophobicContact CD1-CG 4.4Å; F23-F327 HydrophobicContact CD2-CD2 4.09Å; F23-F327 HydrophobicContact CE1-CB 3.54Å; F23-F327 HydrophobicContact CE1-CD2 4.04Å; F23-F327 HydrophobicContact CE1-CG 4.31Å; F23-F327 HydrophobicContact CE2-CD2 4.07Å; F23-F327 HydrophobicContact CG-CD2 4.08Å; F23-F327 HydrophobicContact CZ-CB 4.16Å; F23-F327 HydrophobicContact CZ-CD2 4.06Å; L323-F327 WeakPolarHBondContact O-CB 3.35Å; L323-F327 PolarHBondContact O-N 2.99Å; L324-F327 WeakPolarHBondContact O-CB 3.42Å; L324-F327 PolarHBondContact O-N 3.23Å; F327-I329 PolarHBondContact O-N 3.42Å; F327-S330 WeakPolarHBondContact O-CB 3.27Å; F327-S330 PolarHBondContact O-N 2.88Å; F327-V331 HydrophobicContact CE1-CG2 4.14Å; F327-V331 HydrophobicContact CE2-CG2 4.36Å; F327-V331 HydrophobicContact CZ-CG2 4.04Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 2.99Å
328	L	97.8	Very high	95.2	Very high	91 Å²	91	61.4 Å²	61.4	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-43.2	179.1	-67.9	173.8	0	0	0	111.9	L324 L325 S330 V331 V332	L324-L328 HydrophobicContact CD1-CD1 4.47Å; L324-L328 HydrophobicContact CD1-CG 4.42Å; L324-L328 HydrophobicContact CG-CD1 4.3Å; L324-L328 VanDerWaalsContact O-CG 3.32Å; L324-L328 WeakPolarHBondContact O-CG 3.5Å; L324-L328 PolarHBondContact O-N 2.88Å; L325-L328 PolarHBondContact O-N 3.43Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 2.83Å; L328-V331 PolarHBondContact O-N 3.24Å; L328-V332 WeakPolarHBondContact O-CG2 3.11Å; L328-V332 PolarHBondContact O-N 2.99Å
329	I	97.6	Very high	96	Very high	64 Å²	64	60 Å²	60	33%	0.328	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-45	174.6	-70.1	167.1	0	0	0	110.3	I305 L325 I326 F327 V331 V332 L333	I305-I329 HydrophobicContact CD1-CG2 4.31Å; L325-I329 HydrophobicContact CD1-CD1 4.19Å; L325-I329 HydrophobicContact CD1-CG1 4.44Å; L325-I329 HydrophobicContact CG-CD1 3.87Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.23Å; I326-I329 PolarHBondContact O-N 3.23Å; F327-I329 PolarHBondContact O-N 3.42Å; I329-V331 VanDerWaalsContact C-N 3.34Å; I329-V331 PolarHBondContact O-N 3.29Å; I329-V332 PolarHBondContact O-N 2.71Å; I329-L333 HydrophobicContact CG2-CD1 3.64Å; I329-L333 HydrophobicContact CG2-CG 4.1Å; I329-L333 WeakPolarHBondContact O-CB 3.31Å; I329-L333 WeakPolarHBondContact O-CG 3.35Å; I329-L333 PolarHBondContact O-N 3.06Å
330	S	97.8	Very high	96.5	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-45.5	177.8	-60.2	0	0	0	0	111.5	I326 F327 L328 S334	I326-S330 WeakPolarHBondContact O-CB 3.4Å; I326-S330 PolarHBondContact O-N 3.25Å; I326-S330 PolarHBondContact O-OG 3.01Å; F327-S330 WeakPolarHBondContact O-CB 3.27Å; F327-S330 PolarHBondContact O-N 2.88Å; L328-S330 VanDerWaalsContact C-N 3.31Å; L328-S330 PolarHBondContact O-N 2.83Å; S330-S334 VanDerWaalsContact O-CB 3.24Å; S330-S334 WeakPolarHBondContact O-CB 3.44Å; S330-S334 PolarHBondContact O-N 2.95Å; S330-S334 PolarHBondContact O-OG 3.25Å
331	V	98.2	Very high	96.8	Very high	48 Å²	48	62 Å²	62	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-48.9	177.6	173.7	0	0	0	0	111.2	L298 F327 L328 I329 S334 V335	L298-V331 HydrophobicContact CD1-CG2 4.33Å; F327-V331 HydrophobicContact CE1-CG2 4.14Å; F327-V331 HydrophobicContact CE2-CG2 4.36Å; F327-V331 HydrophobicContact CZ-CG2 4.04Å; F327-V331 WeakPolarHBondContact O-CG2 3.39Å; F327-V331 PolarHBondContact O-N 2.99Å; L328-V331 PolarHBondContact O-N 3.24Å; I329-V331 VanDerWaalsContact C-N 3.34Å; I329-V331 PolarHBondContact O-N 3.29Å; V331-S334 PolarHBondContact O-N 3.32Å; V331-V335 WeakPolarHBondContact O-CG2 3.29Å; V331-V335 PolarHBondContact O-N 3.36Å
332	V	98.2	Very high	96.9	Very high	83 Å²	83	54.5 Å²	54.5	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-48.5	-178.3	171.3	0	0	0	0	111.4	L328 I329 S334 V335 I336	L328-V332 WeakPolarHBondContact O-CG2 3.11Å; L328-V332 PolarHBondContact O-N 2.99Å; I329-V332 PolarHBondContact O-N 2.71Å; V332-S334 VanDerWaalsContact C-N 3.26Å; V332-S334 PolarHBondContact O-N 3.34Å; V332-V335 PolarHBondContact O-N 2.82Å; V332-I336 HydrophobicContact CG1-CD1 3.8Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.4Å; V332-I336 PolarHBondContact O-N 3.47Å
333	L	97.9	Very high	96.9	Very high	73 Å²	73	54 Å²	54	38%	0.382	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-33.9	178.3	-71.2	179.7	0	0	0	112.3	I301 I305 I329 S337	I301-L333 HydrophobicContact CG2-CB 4.06Å; I305-L333 HydrophobicContact CD1-CD1 3.92Å; I329-L333 HydrophobicContact CG2-CD1 3.64Å; I329-L333 HydrophobicContact CG2-CG 4.1Å; I329-L333 WeakPolarHBondContact O-CB 3.31Å; I329-L333 WeakPolarHBondContact O-CG 3.35Å; I329-L333 PolarHBondContact O-N 3.06Å; L333-S337 VanDerWaalsContact O-CB 3.3Å; L333-S337 WeakPolarHBondContact O-CB 3.49Å; L333-S337 PolarHBondContact O-N 2.89Å; L333-S337 PolarHBondContact O-OG 3.18Å
334	S	98.3	Very high	97	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-44	176.3	-58.7	0	0	0	0	112	S297 L298 S330 V331 V332 I336 S337 F338	S297-S334 PolarHBondContact OG-O 2.88Å; L298-S334 VanDerWaalsContact CA-OG 3.24Å; L298-S334 WeakPolarHBondContact CA-OG 3.35Å; L298-S334 WeakPolarHBondContact CD1-OG 3.34Å; S330-S334 VanDerWaalsContact O-CB 3.24Å; S330-S334 WeakPolarHBondContact O-CB 3.44Å; S330-S334 PolarHBondContact O-N 2.95Å; S330-S334 PolarHBondContact O-OG 3.25Å; V331-S334 PolarHBondContact O-N 3.32Å; V332-S334 VanDerWaalsContact C-N 3.26Å; V332-S334 PolarHBondContact O-N 3.34Å; S334-I336 VanDerWaalsContact C-N 3.35Å; S334-I336 PolarHBondContact O-N 3.21Å; S334-S337 PolarHBondContact O-N 2.96Å; S334-F338 VanDerWaalsContact O-CB 3.3Å; S334-F338 WeakPolarHBondContact O-CB 3.28Å; S334-F338 PolarHBondContact O-N 3.06Å
335	V	98.2	Very high	96.9	Very high	46 Å²	46	56 Å²	56	28%	0.279	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-44.3	174.2	170.5	0	0	0	0	110.9	Y290 V294 V331 V332 F338 E339	Y290-V335 HydrophobicContact CE1-CG2 4.48Å; V294-V335 HydrophobicContact CG1-CG2 4.17Å; V294-V335 HydrophobicContact CG2-CG2 4.39Å; V331-V335 WeakPolarHBondContact O-CG2 3.29Å; V331-V335 PolarHBondContact O-N 3.36Å; V332-V335 PolarHBondContact O-N 2.82Å; V335-F338 PolarHBondContact O-N 2.93Å; V335-E339 HydrophobicContact CG1-CG 4.23Å; V335-E339 WeakPolarHBondContact O-CB 3.46Å; V335-E339 WeakPolarHBondContact O-CG 3.46Å; V335-E339 PolarHBondContact O-N 3.49Å
336	I	98	Very high	96.8	Very high	79 Å²	79	55.1 Å²	55.1	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-48.8	176	-69.6	169.2	0	0	0	110.5	V332 S334 F338 E339 F340	V332-I336 HydrophobicContact CG1-CD1 3.8Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.4Å; V332-I336 PolarHBondContact O-N 3.47Å; S334-I336 VanDerWaalsContact C-N 3.35Å; S334-I336 PolarHBondContact O-N 3.21Å; I336-F338 VanDerWaalsContact C-N 3.3Å; I336-F338 PolarHBondContact O-N 3.2Å; I336-E339 PolarHBondContact O-N 3.41Å; I336-F340 HydrophobicContact CB-CD2 4.33Å; I336-F340 HydrophobicContact CG2-CD2 3.88Å; I336-F340 WeakPolarHBondContact O-CB 3.46Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.38Å; I336-F340 PolarHBondContact O-N 2.85Å
337	S	97.3	Very high	96.7	Very high	25 Å²	25	64.6 Å²	64.6	18%	0.175	31%	0.31	C	S	.	.	I	π-helix	trans	-61.1	-40.9	179.2	-61.4	0	0	0	0	111.7	I301 L333 S334 F341 E342	I301-S337 WeakPolarHBondContact CD1-OG 3.27Å; L333-S337 VanDerWaalsContact O-CB 3.3Å; L333-S337 WeakPolarHBondContact O-CB 3.49Å; L333-S337 PolarHBondContact O-N 2.89Å; L333-S337 PolarHBondContact O-OG 3.18Å; S334-S337 PolarHBondContact O-N 2.96Å; S337-F341 WeakPolarHBondContact O-CA 3.27Å; S337-F341 VanDerWaalsContact O-CB 3.23Å; S337-F341 WeakPolarHBondContact O-CB 3.39Å; S337-F341 PolarHBondContact O-N 3.41Å; S337-E342 PolarHBondContact O-N 3.2Å
338	F	97.4	Very high	96.5	Very high	12 Å²	12	63.4 Å²	63.4	5%	0.053	31%	0.306	C	S	.	.	I	π-helix	trans	-65.4	-51.5	177.4	175.1	-110.8	0	0	0	112.5	Y290 D293 V294 S334 V335 I336 E342 K343	Y290-F338 HydrophobicContact CE2-CD1 4.33Å; Y290-F338 AromaticContact CE2-CE1 3.9Å; Y290-F338 HydrophobicContact CE2-CE1 3.9Å; D293-F338 HydrophobicContact CB-CE1 4.11Å; D293-F338 HydrophobicContact CB-CE2 4.17Å; D293-F338 HydrophobicContact CB-CZ 3.61Å; D293-F338 WeakPolarHBondContact O-CE2 3.15Å; V294-F338 HydrophobicContact CG1-CB 4.42Å; V294-F338 HydrophobicContact CG2-CB 4.2Å; V294-F338 HydrophobicContact CG2-CD1 3.58Å; V294-F338 HydrophobicContact CG2-CE1 4.1Å; V294-F338 HydrophobicContact CG2-CG 3.92Å; S334-F338 VanDerWaalsContact O-CB 3.3Å; S334-F338 WeakPolarHBondContact O-CB 3.28Å; S334-F338 PolarHBondContact O-N 3.06Å; V335-F338 PolarHBondContact O-N 2.93Å; I336-F338 VanDerWaalsContact C-N 3.3Å; I336-F338 PolarHBondContact O-N 3.2Å; F338-E342 HydrophobicContact CD2-CB 4.21Å; F338-E342 HydrophobicContact CD2-CG 4.25Å; F338-E342 WeakPolarHBondContact O-CB 3.48Å; F338-E342 PolarHBondContact O-N 3.4Å; F338-K343 HydrophobicContact CE1-CD 4.39Å; F338-K343 HydrophobicContact CE2-CG 4.48Å; F338-K343 HydrophobicContact CZ-CD 4.45Å; F338-K343 HydrophobicContact CZ-CG 4.27Å; F338-K343 PolarHBondContact O-N 2.83Å
339	E	97.2	Very high	96.4	Very high	61 Å²	61	62.6 Å²	62.6	29%	0.285	31%	0.306	S	S	.	.	I	π-helix	trans	-70.8	-43.2	-174.6	-69.5	-62.4	154.2	0	0	112.6	Y290 V335 I336 K343	Y290-E339 VanDerWaalsContact CE2-OE1 3.29Å; Y290-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y290-E339 PolarHBondContact OH-OE1 2.8Å; V335-E339 HydrophobicContact CG1-CG 4.23Å; V335-E339 WeakPolarHBondContact O-CB 3.46Å; V335-E339 WeakPolarHBondContact O-CG 3.46Å; V335-E339 PolarHBondContact O-N 3.49Å; I336-E339 PolarHBondContact O-N 3.41Å; E339-K343 IonicContact OE1-NZ 2.65Å; E339-K343 PolarHBondContact OE1-NZ 2.75Å; E339-K343 WeakPolarHBondContact OE2-CD 3.43Å; E339-K343 WeakPolarHBondContact OE2-CE 3.49Å; E339-K343 IonicContact OE2-NZ 3.42Å; E339-K343 PolarHBondContact OE2-NZ 3.41Å
340	F	96.1	Very high	96.1	Very high	153 Å²	153	63 Å²	63	67%	0.671	31%	0.309	S	S	*	.	I	π-helix	trans	-96.7	-29	-171.1	-64.6	-77.5	0	0	0	114.1	I336 K344	I336-F340 HydrophobicContact CB-CD2 4.33Å; I336-F340 HydrophobicContact CG2-CD2 3.88Å; I336-F340 WeakPolarHBondContact O-CB 3.46Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.38Å; I336-F340 PolarHBondContact O-N 2.85Å; F340-K344 WeakPolarHBondContact O-CB 3.48Å
341	F	96	Very high	95.9	Very high	52 Å²	52	73.4 Å²	73.4	23%	0.228	35%	0.348	C	S	.	.	I	π-helix	trans	-104.5	-57.4	-179.2	-171.3	-100.5	0	0	0	111.6	P79 L80 L83 S337 K344 Y345	P79-F341 HydrophobicContact CB-CE1 4.07Å; P79-F341 HydrophobicContact CB-CZ 4.24Å; L80-F341 HydrophobicContact CB-CD1 4.37Å; L80-F341 HydrophobicContact CB-CE1 4.26Å; L80-F341 HydrophobicContact CD1-CD1 4.01Å; L80-F341 HydrophobicContact CD1-CE1 4.43Å; L83-F341 HydrophobicContact CB-CE1 4.24Å; L83-F341 HydrophobicContact CB-CZ 4.27Å; L83-F341 HydrophobicContact CD2-CD1 3.76Å; L83-F341 HydrophobicContact CD2-CD2 3.96Å; L83-F341 HydrophobicContact CD2-CE1 3.72Å; L83-F341 HydrophobicContact CD2-CE2 3.92Å; L83-F341 HydrophobicContact CD2-CG 3.88Å; L83-F341 HydrophobicContact CD2-CZ 3.8Å; S337-F341 WeakPolarHBondContact O-CA 3.27Å; S337-F341 VanDerWaalsContact O-CB 3.23Å; S337-F341 WeakPolarHBondContact O-CB 3.39Å; S337-F341 PolarHBondContact O-N 3.41Å; F341-K344 PolarHBondContact O-N 2.95Å; F341-Y345 AromaticContact CD1-CD1 3.56Å; F341-Y345 HydrophobicContact CD1-CD1 3.56Å; F341-Y345 AromaticContact CD1-CE1 3.63Å; F341-Y345 HydrophobicContact CD1-CE1 3.63Å; F341-Y345 AromaticContact CE1-CD1 3.52Å; F341-Y345 HydrophobicContact CE1-CD1 3.52Å; F341-Y345 AromaticContact CE1-CE1 3.65Å; F341-Y345 HydrophobicContact CE1-CE1 3.65Å; F341-Y345 HydrophobicContact CG-CD1 4.22Å; F341-Y345 HydrophobicContact CZ-CD1 4.16Å; F341-Y345 WeakPolarHBondContact O-CD1 3.4Å; F341-Y345 PolarHBondContact O-N 3.29Å
342	E	95.1	Very high	95.7	Very high	6 Å²	6	75.7 Å²	75.7	3%	0.028	36%	0.356	C	S	.	.	I	π-helix	trans	-62.2	-56	-175.1	179.6	167.8	171.3	0	0	113.9	S337 F338 K344 Y345 L346	S337-E342 PolarHBondContact O-N 3.2Å; F338-E342 HydrophobicContact CD2-CB 4.21Å; F338-E342 HydrophobicContact CD2-CG 4.25Å; F338-E342 WeakPolarHBondContact O-CB 3.48Å; F338-E342 PolarHBondContact O-N 3.4Å; E342-K344 PolarHBondContact O-N 3.38Å; E342-K344 VanDerWaalsContact O-N 3.15Å; E342-Y345 HydrophobicContact CB-CE1 3.94Å; E342-Y345 HydrophobicContact CG-CE1 4.19Å; E342-Y345 WeakPolarHBondContact CG-OH 3.33Å; E342-Y345 PolarHBondContact O-N 2.6Å; E342-L346 HydrophobicContact CG-CD1 3.83Å; E342-L346 HydrophobicContact CG-CG 4.38Å; E342-L346 WeakPolarHBondContact O-CB 3.33Å; E342-L346 VanDerWaalsContact O-CG 3.26Å; E342-L346 WeakPolarHBondContact O-CG 3.31Å; E342-L346 PolarHBondContact O-N 3.41Å; E342-L346 VanDerWaalsContact O-N 3.12Å
343	K	95.1	Very high	95.6	Very high	67 Å²	67	72.1 Å²	72.1	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-32.2	178.1	-74.1	-174.3	-174	170.3	0	112.7	F338 E339 R347	F338-K343 HydrophobicContact CE1-CD 4.39Å; F338-K343 HydrophobicContact CE2-CG 4.48Å; F338-K343 HydrophobicContact CZ-CD 4.45Å; F338-K343 HydrophobicContact CZ-CG 4.27Å; F338-K343 PolarHBondContact O-N 2.83Å; E339-K343 IonicContact OE1-NZ 2.65Å; E339-K343 PolarHBondContact OE1-NZ 2.75Å; E339-K343 WeakPolarHBondContact OE2-CD 3.43Å; E339-K343 WeakPolarHBondContact OE2-CE 3.49Å; E339-K343 IonicContact OE2-NZ 3.42Å; E339-K343 PolarHBondContact OE2-NZ 3.41Å; K343-R347 WeakPolarHBondContact O-CG 3.2Å
344	K	95.1	Very high	95.5	Very high	144 Å²	144	72.4 Å²	72.4	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-73.4	-53.6	-178.9	-168.7	174.3	-179.2	179	0	111	F340 F341 E342 L346 R347	F340-K344 WeakPolarHBondContact O-CB 3.48Å; F341-K344 PolarHBondContact O-N 2.95Å; E342-K344 PolarHBondContact O-N 3.38Å; E342-K344 VanDerWaalsContact O-N 3.15Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.42Å; K344-R347 PolarHBondContact O-N 3.06Å; K344-R347 VanDerWaalsContact O-N 3.12Å
345	Y	94.3	Very high	95.4	Very high	3 Å²	3	79.9 Å²	79.9	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-66.3	-30.7	-177.3	76.5	-116	0	0	0	112.5	K75 R76 P79 L80 F341 E342 R347 L348 I353	K75-Y345 WeakPolarHBondContact O-CE2 3.44Å; R76-Y345 PolarHBondContact O-OH 3.34Å; P79-Y345 HydrophobicContact CB-CD1 3.89Å; P79-Y345 HydrophobicContact CB-CD2 4.18Å; P79-Y345 HydrophobicContact CB-CE1 3.9Å; P79-Y345 HydrophobicContact CB-CE2 4.29Å; P79-Y345 HydrophobicContact CB-CG 4.05Å; P79-Y345 HydrophobicContact CG-CD1 4.48Å; P79-Y345 HydrophobicContact CG-CD2 3.88Å; P79-Y345 HydrophobicContact CG-CE1 4.47Å; P79-Y345 HydrophobicContact CG-CE2 3.97Å; P79-Y345 HydrophobicContact CG-CG 4.23Å; L80-Y345 HydrophobicContact CB-CE1 4.09Å; F341-Y345 AromaticContact CD1-CD1 3.56Å; F341-Y345 HydrophobicContact CD1-CD1 3.56Å; F341-Y345 AromaticContact CD1-CE1 3.63Å; F341-Y345 HydrophobicContact CD1-CE1 3.63Å; F341-Y345 AromaticContact CE1-CD1 3.52Å; F341-Y345 HydrophobicContact CE1-CD1 3.52Å; F341-Y345 AromaticContact CE1-CE1 3.65Å; F341-Y345 HydrophobicContact CE1-CE1 3.65Å; F341-Y345 HydrophobicContact CG-CD1 4.22Å; F341-Y345 HydrophobicContact CZ-CD1 4.16Å; F341-Y345 WeakPolarHBondContact O-CD1 3.4Å; F341-Y345 PolarHBondContact O-N 3.29Å; E342-Y345 HydrophobicContact CB-CE1 3.94Å; E342-Y345 HydrophobicContact CG-CE1 4.19Å; E342-Y345 WeakPolarHBondContact CG-OH 3.33Å; E342-Y345 PolarHBondContact O-N 2.6Å; Y345-R347 PolarHBondContact O-N 3.14Å; Y345-R347 VanDerWaalsContact O-N 3.14Å; Y345-L348 WeakPolarHBondContact O-CB 3.1Å; Y345-L348 PolarHBondContact O-N 3.1Å; Y345-I353 WeakPolarHBondContact O-CD1 3.18Å
346	L	93.4	Very high	95.3	Very high	70 Å²	70	80 Å²	80	37%	0.366	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.9	176.8	-74.2	173.7	0	0	0	112.9	K75 R76 E342 K344	K75-L346 WeakPolarHBondContact CE-O 3.47Å; R76-L346 HydrophobicContact CB-CD2 4.27Å; R76-L346 HydrophobicContact CG-CD2 4.47Å; E342-L346 HydrophobicContact CG-CD1 3.83Å; E342-L346 HydrophobicContact CG-CG 4.38Å; E342-L346 WeakPolarHBondContact O-CB 3.33Å; E342-L346 VanDerWaalsContact O-CG 3.26Å; E342-L346 WeakPolarHBondContact O-CG 3.31Å; E342-L346 PolarHBondContact O-N 3.41Å; E342-L346 VanDerWaalsContact O-N 3.12Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.42Å
347	R	94.1	Very high	95.3	Very high	210 Å²	210	77 Å²	77	79%	0.792	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.1	177	-62.4	175	-175.3	175.6	1.7	113.6	K343 K344 Y345	K343-R347 WeakPolarHBondContact O-CG 3.2Å; K344-R347 PolarHBondContact O-N 3.06Å; K344-R347 VanDerWaalsContact O-N 3.12Å; Y345-R347 PolarHBondContact O-N 3.14Å; Y345-R347 VanDerWaalsContact O-N 3.14Å
348	L	94.3	Very high	95.3	Very high	44 Å²	44	80.4 Å²	80.4	23%	0.23	37%	0.371	C	S	.	.	S	Bend	trans	-76.2	154.5	-178	-66.3	-179.9	0	0	0	112.3	K75 Y345 I353 I356	K75-L348 PolarHBondContact NZ-O 3.18Å; Y345-L348 WeakPolarHBondContact O-CB 3.1Å; Y345-L348 PolarHBondContact O-N 3.1Å; L348-I353 HydrophobicContact CB-CD1 4.22Å; L348-I353 HydrophobicContact CB-CG1 3.94Å; L348-I356 HydrophobicContact CD1-CD1 4.04Å
349	P	93.9	Very high	95.4	Very high	74 Å²	74	86.1 Å²	86.1	48%	0.481	40%	0.396	S	S	.	.			trans	-63.4	147.3	170	-18.7	31.3	0	0	0	111.8	R351 Q352 I353	P349-R351 VanDerWaalsContact C-N 3.28Å; P349-R351 PolarHBondContact O-N 3.48Å; P349-Q352 PolarHBondContact O-N 3.34Å; P349-I353 PolarHBondContact O-N 2.95Å
350	D	91.8	Very high	95.4	Very high	73 Å²	73	83.6 Å²	83.6	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-60	-36.4	-172.1	-57.6	-22	0	0	0	112.8	H71 K75 Q352 I353 T354	H71-D350 IonicContact CE1-OD1 3.55Å; H71-D350 PolarHBondContact CE1-OD1 2.81Å; H71-D350 VanDerWaalsContact CE1-OD1 3.25Å; H71-D350 IonicContact CE1-OD2 3.76Å; H71-D350 PolarHBondContact CE1-OD2 2.75Å; H71-D350 IonicContact NE2-OD1 3.02Å; H71-D350 PolarHBondContact NE2-OD1 2.73Å; H71-D350 IonicContact NE2-OD2 3.06Å; H71-D350 PolarHBondContact NE2-OD2 3.08Å; K75-D350 IonicContact NZ-OD1 2.74Å; K75-D350 PolarHBondContact NZ-OD1 3.41Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 2.9Å; D350-I353 PolarHBondContact O-N 3.38Å; D350-I353 VanDerWaalsContact O-N 3.16Å; D350-T354 PolarHBondContact O-N 3.14Å; D350-T354 PolarHBondContact O-OG1 3.13Å; D350-T354 VanDerWaalsContact O-OG1 3.09Å
351	R	94.2	Very high	95.5	Very high	218 Å²	218	80.1 Å²	80.1	82%	0.823	37%	0.369	S	S	*	.	H	α-helix	trans	-57.3	-37.2	174.9	-70.5	-176.8	176.7	173.8	-1.2	113.3	P349 K355	P349-R351 VanDerWaalsContact C-N 3.28Å; P349-R351 PolarHBondContact O-N 3.48Å; R351-K355 WeakPolarHBondContact O-CG 3.46Å; R351-K355 PolarHBondContact O-N 3.45Å
352	Q	94.9	Very high	95.6	Very high	96 Å²	96	82.2 Å²	82.2	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-74.3	-39.3	179.5	-64.3	-175.4	15.3	0	0	110.8	P349 D350 K355 I356	P349-Q352 PolarHBondContact O-N 3.34Å; D350-Q352 VanDerWaalsContact C-N 3.28Å; D350-Q352 PolarHBondContact O-N 2.9Å; Q352-K355 WeakPolarHBondContact O-CB 3.38Å; Q352-K355 PolarHBondContact O-N 3.38Å; Q352-I356 WeakPolarHBondContact O-CG1 3.42Å; Q352-I356 PolarHBondContact O-N 3Å
353	I	95.1	Very high	95.7	Very high	9 Å²	9	83.6 Å²	83.6	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-64.4	-43.4	178.1	-59.4	176.9	0	0	0	110.3	K75 P79 Y345 L348 P349 D350 K355 I356 C357	K75-I353 HydrophobicContact CD-CD1 3.63Å; K75-I353 HydrophobicContact CG-CD1 3.71Å; P79-I353 HydrophobicContact CG-CG2 3.87Å; Y345-I353 WeakPolarHBondContact O-CD1 3.18Å; L348-I353 HydrophobicContact CB-CD1 4.22Å; L348-I353 HydrophobicContact CB-CG1 3.94Å; P349-I353 PolarHBondContact O-N 2.95Å; D350-I353 PolarHBondContact O-N 3.38Å; D350-I353 VanDerWaalsContact O-N 3.16Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.12Å; I353-I356 PolarHBondContact O-N 2.92Å; I353-C357 PolarHBondContact O-N 3.11Å; I353-C357 PolarHBondContact O-SG 3.13Å; I353-C357 VanDerWaalsContact O-SG 3.33Å
354	T	95.4	Very high	95.9	Very high	79 Å²	79	80.4 Å²	80.4	49%	0.485	38%	0.377	S	S	.	.	H	α-helix	trans	-57.6	-44.1	174.2	-56.6	0	0	0	0	111.7	D350 C357 I358	D350-T354 PolarHBondContact O-N 3.14Å; D350-T354 PolarHBondContact O-OG1 3.13Å; D350-T354 VanDerWaalsContact O-OG1 3.09Å; T354-C357 PolarHBondContact O-N 2.68Å; T354-I358 HydrophobicContact CG2-CD1 3.81Å; T354-I358 HydrophobicContact CG2-CG1 4.43Å; T354-I358 VanDerWaalsContact O-CG1 3.3Å; T354-I358 WeakPolarHBondContact O-CG1 3.35Å; T354-I358 PolarHBondContact O-N 3.07Å
355	K	96.7	Very high	96	Very high	156 Å²	156	76.2 Å²	76.2	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-44.1	176.1	-72.5	178.6	179.3	-169.3	0	112.3	R351 Q352 I353 I358 F359	R351-K355 WeakPolarHBondContact O-CG 3.46Å; R351-K355 PolarHBondContact O-N 3.45Å; Q352-K355 WeakPolarHBondContact O-CB 3.38Å; Q352-K355 PolarHBondContact O-N 3.38Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.12Å; K355-I358 PolarHBondContact O-N 2.81Å; K355-F359 WeakPolarHBondContact O-CB 3.44Å; K355-F359 PolarHBondContact O-N 3.17Å
356	I	96.6	Very high	96.1	Very high	50 Å²	50	81.8 Å²	81.8	26%	0.256	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-47.5	176.5	-69.1	166	0	0	0	110.3	L348 Q352 I353 F359 L360	L348-I356 HydrophobicContact CD1-CD1 4.04Å; Q352-I356 WeakPolarHBondContact O-CG1 3.42Å; Q352-I356 PolarHBondContact O-N 3Å; I353-I356 PolarHBondContact O-N 2.92Å; I356-F359 PolarHBondContact O-N 3.46Å; I356-L360 HydrophobicContact CG2-CD1 3.69Å; I356-L360 HydrophobicContact CG2-CG 4.28Å; I356-L360 WeakPolarHBondContact O-CB 3.28Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.3Å; I356-L360 PolarHBondContact O-N 2.92Å
357	C	97.6	Very high	96.2	Very high	15 Å²	15	80.2 Å²	80.2	10%	0.101	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-43.6	179.2	-67.2	0	0	0	0	112.4	L78 L82 I353 T354 F361	L78-C357 HydrophobicContact CD2-CB 3.89Å; L78-C357 HydrophobicContact CG-CB 4.33Å; L82-C357 HydrophobicContact CD1-CB 4.16Å; L82-C357 WeakPolarHBondContact CD1-O 3.3Å; I353-C357 PolarHBondContact O-N 3.11Å; I353-C357 PolarHBondContact O-SG 3.13Å; I353-C357 VanDerWaalsContact O-SG 3.33Å; T354-C357 PolarHBondContact O-N 2.68Å; C357-F361 WeakPolarHBondContact O-CB 3.49Å; C357-F361 PolarHBondContact O-N 3.43Å
358	I	97.9	Very high	96.2	Very high	96 Å²	96	70.5 Å²	70.5	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-46.9	177.4	-69.6	168.8	0	0	0	110.3	T354 K355 F361 L362	T354-I358 HydrophobicContact CG2-CD1 3.81Å; T354-I358 HydrophobicContact CG2-CG1 4.43Å; T354-I358 VanDerWaalsContact O-CG1 3.3Å; T354-I358 WeakPolarHBondContact O-CG1 3.35Å; T354-I358 PolarHBondContact O-N 3.07Å; K355-I358 PolarHBondContact O-N 2.81Å; I358-F361 PolarHBondContact O-N 2.85Å; I358-L362 HydrophobicContact CG2-CD1 3.84Å; I358-L362 HydrophobicContact CG2-CG 4.35Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 VanDerWaalsContact O-CG 3.32Å; I358-L362 WeakPolarHBondContact O-CG 3.36Å; I358-L362 PolarHBondContact O-N 3.33Å
359	F	98.1	Very high	96.1	Very high	132 Å²	132	71.1 Å²	71.1	58%	0.579	35%	0.349	S	S	*	.	H	α-helix	trans	-57.8	-54.6	177.3	171.5	-99.7	0	0	0	111.2	K355 I356 F361 L362 T363	K355-F359 WeakPolarHBondContact O-CB 3.44Å; K355-F359 PolarHBondContact O-N 3.17Å; I356-F359 PolarHBondContact O-N 3.46Å; F359-F361 VanDerWaalsContact C-N 3.3Å; F359-F361 PolarHBondContact O-N 3.25Å; F359-L362 PolarHBondContact O-N 3.29Å; F359-T363 WeakPolarHBondContact O-CB 3.25Å; F359-T363 PolarHBondContact O-N 3.14Å; F359-T363 PolarHBondContact O-OG1 3.29Å
360	L	98.2	Very high	95.9	Very high	8 Å²	8	73 Å²	73	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-39.5	-179.6	-67.5	172	0	0	0	111.7	P79 L82 L83 M86 I356 N364	P79-L360 WeakPolarHBondContact O-CD1 3.35Å; L82-L360 HydrophobicContact CB-CB 3.65Å; L82-L360 HydrophobicContact CB-CD1 4.06Å; L82-L360 HydrophobicContact CB-CG 4.48Å; L82-L360 HydrophobicContact CD1-CB 4.13Å; L83-L360 HydrophobicContact CB-CD1 4.24Å; L83-L360 HydrophobicContact CD1-CD2 4.22Å; M86-L360 HydrophobicContact CE-CD2 4.31Å; M86-L360 HydrophobicContact SD-CD2 3.76Å; I356-L360 HydrophobicContact CG2-CD1 3.69Å; I356-L360 HydrophobicContact CG2-CG 4.28Å; I356-L360 WeakPolarHBondContact O-CB 3.28Å; I356-L360 VanDerWaalsContact O-CG 3.29Å; I356-L360 WeakPolarHBondContact O-CG 3.3Å; I356-L360 PolarHBondContact O-N 2.92Å; L360-N364 WeakPolarHBondContact O-CB 3.38Å; L360-N364 PolarHBondContact O-N 3.12Å; L360-N364 PolarHBondContact O-ND2 3.41Å
361	F	98.3	Very high	95.6	Very high	81 Å²	81	70 Å²	70	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-50.2	177.5	-178.1	-93.4	0	0	0	111.5	L82 L112 I113 C357 I358 F359 T363 N364 V365	L82-F361 HydrophobicContact CD1-CB 4.22Å; L82-F361 HydrophobicContact CD2-CD2 4.33Å; L112-F361 HydrophobicContact CD1-CD2 3.76Å; L112-F361 HydrophobicContact CD1-CE2 4.01Å; L112-F361 HydrophobicContact CD2-CD2 4.41Å; L112-F361 HydrophobicContact CD2-CE2 4.07Å; L112-F361 HydrophobicContact CD2-CZ 4.48Å; L112-F361 HydrophobicContact CG-CD2 4.03Å; L112-F361 HydrophobicContact CG-CE2 3.74Å; I113-F361 HydrophobicContact CG2-CE2 4.39Å; C357-F361 WeakPolarHBondContact O-CB 3.49Å; C357-F361 PolarHBondContact O-N 3.43Å; I358-F361 PolarHBondContact O-N 2.85Å; F359-F361 VanDerWaalsContact C-N 3.3Å; F359-F361 PolarHBondContact O-N 3.25Å; F361-T363 PolarHBondContact O-N 3.25Å; F361-N364 WeakPolarHBondContact O-CB 3.38Å; F361-N364 PolarHBondContact O-N 3.28Å; F361-V365 HydrophobicContact CD1-CG2 4.2Å; F361-V365 HydrophobicContact CE1-CG2 3.82Å; F361-V365 HydrophobicContact CZ-CG2 4.15Å; F361-V365 WeakPolarHBondContact O-CG2 3.41Å; F361-V365 PolarHBondContact O-N 3.1Å
362	L	98	Very high	95	Very high	95 Å²	95	65.4 Å²	65.4	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-41	179.4	-68.4	175.2	0	0	0	112	I358 F359 N364 V365 I366	I358-L362 HydrophobicContact CG2-CD1 3.84Å; I358-L362 HydrophobicContact CG2-CG 4.35Å; I358-L362 WeakPolarHBondContact O-CB 3.47Å; I358-L362 VanDerWaalsContact O-CG 3.32Å; I358-L362 WeakPolarHBondContact O-CG 3.36Å; I358-L362 PolarHBondContact O-N 3.33Å; F359-L362 PolarHBondContact O-N 3.29Å; L362-N364 VanDerWaalsContact C-N 3.33Å; L362-N364 PolarHBondContact O-N 3.05Å; L362-V365 PolarHBondContact O-N 2.88Å; L362-I366 WeakPolarHBondContact O-CG1 3.26Å; L362-I366 PolarHBondContact O-N 3.16Å
363	T	97.8	Very high	94.5	Very high	36 Å²	36	64.3 Å²	64.3	22%	0.221	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-41.8	174.7	-58.5	0	0	0	0	111.6	M86 F359 F361 I366 L367	M86-T363 HydrophobicContact CG-CG2 4.09Å; M86-T363 HydrophobicContact SD-CG2 3.85Å; F359-T363 WeakPolarHBondContact O-CB 3.25Å; F359-T363 PolarHBondContact O-N 3.14Å; F359-T363 PolarHBondContact O-OG1 3.29Å; F361-T363 PolarHBondContact O-N 3.25Å; T363-I366 PolarHBondContact O-N 2.99Å; T363-L367 HydrophobicContact CG2-CD1 4.03Å; T363-L367 HydrophobicContact CG2-CG 4.41Å; T363-L367 WeakPolarHBondContact O-CG 3.27Å; T363-L367 PolarHBondContact O-N 3.33Å
364	N	98.2	Very high	94	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175	-84.7	-69.9	0	0	0	112.5	L82 I85 M86 L112 L360 F361 L362 I366 L367 L368	L82-N364 PolarHBondContact O-ND2 2.88Å; I85-N364 VanDerWaalsContact C-OD1 3.25Å; I85-N364 WeakPolarHBondContact CG2-OD1 3.44Å; M86-N364 WeakPolarHBondContact CA-OD1 3.43Å; M86-N364 PolarHBondContact N-OD1 3.28Å; L112-N364 HydrophobicContact CD1-CB 3.68Å; L112-N364 HydrophobicContact CD2-CB 4.05Å; L360-N364 WeakPolarHBondContact O-CB 3.38Å; L360-N364 PolarHBondContact O-N 3.12Å; L360-N364 PolarHBondContact O-ND2 3.41Å; F361-N364 WeakPolarHBondContact O-CB 3.38Å; F361-N364 PolarHBondContact O-N 3.28Å; L362-N364 VanDerWaalsContact C-N 3.33Å; L362-N364 PolarHBondContact O-N 3.05Å; N364-I366 VanDerWaalsContact C-N 3.31Å; N364-I366 PolarHBondContact O-N 3.35Å; N364-L367 PolarHBondContact O-N 3.39Å; N364-L368 WeakPolarHBondContact O-CB 3.34Å; N364-L368 WeakPolarHBondContact O-CG 3.42Å; N364-L368 PolarHBondContact O-N 2.93Å
365	V	97.6	Very high	93.1	Very high	56 Å²	56	64.3 Å²	64.3	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-57.4	-46.8	175.6	173.1	0	0	0	0	110.5	L112 F361 L362 L367 L368 E369	L112-V365 HydrophobicContact CD2-CG2 3.75Å; F361-V365 HydrophobicContact CD1-CG2 4.2Å; F361-V365 HydrophobicContact CE1-CG2 3.82Å; F361-V365 HydrophobicContact CZ-CG2 4.15Å; F361-V365 WeakPolarHBondContact O-CG2 3.41Å; F361-V365 PolarHBondContact O-N 3.1Å; L362-V365 PolarHBondContact O-N 2.88Å; V365-L367 PolarHBondContact O-N 2.89Å; V365-L368 PolarHBondContact O-N 3.45Å; V365-E369 HydrophobicContact CG1-CG 4.46Å; V365-E369 WeakPolarHBondContact O-CB 3.26Å; V365-E369 WeakPolarHBondContact O-CG 3.3Å; V365-E369 PolarHBondContact O-N 3.22Å
366	I	95.8	Very high	92.1	Very high	120 Å²	120	62.4 Å²	62.4	62%	0.615	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-46.2	178.6	-66.5	165.2	0	0	0	111	L362 T363 N364 Y370	L362-I366 WeakPolarHBondContact O-CG1 3.26Å; L362-I366 PolarHBondContact O-N 3.16Å; T363-I366 PolarHBondContact O-N 2.99Å; N364-I366 VanDerWaalsContact C-N 3.31Å; N364-I366 PolarHBondContact O-N 3.35Å; I366-Y370 WeakPolarHBondContact O-CB 3.28Å; I366-Y370 PolarHBondContact O-N 2.81Å
367	L	95.3	Very high	91.3	Very high	37 Å²	37	66.7 Å²	66.7	19%	0.194	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-40.6	-179.5	-73.6	171	0	0	0	112.6	M86 I90 F93 T363 N364 V365 Y370	M86-L367 HydrophobicContact CG-CD1 3.77Å; I90-L367 HydrophobicContact CD1-CD1 4.38Å; I90-L367 HydrophobicContact CG1-CD1 3.88Å; I90-L367 HydrophobicContact CG1-CD2 4.36Å; F93-L367 VanDerWaalsContact CE2-O 3.28Å; F93-L367 WeakPolarHBondContact CE2-O 3.34Å; F93-L367 VanDerWaalsContact CZ-O 3.26Å; F93-L367 WeakPolarHBondContact CZ-O 3.45Å; T363-L367 HydrophobicContact CG2-CD1 4.03Å; T363-L367 HydrophobicContact CG2-CG 4.41Å; T363-L367 WeakPolarHBondContact O-CG 3.27Å; T363-L367 PolarHBondContact O-N 3.33Å; N364-L367 PolarHBondContact O-N 3.39Å; V365-L367 PolarHBondContact O-N 2.89Å; L367-Y370 WeakPolarHBondContact O-CB 3.36Å
368	L	94.4	Very high	90.3	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-75.2	-33.8	-178.2	-68.5	170	0	0	0	112.4	S89 L105 L112 N364 V365	S89-L368 WeakPolarHBondContact OG-CD2 3.34Å; L105-L368 HydrophobicContact CD2-CD2 4.11Å; L112-L368 HydrophobicContact CB-CD1 4.42Å; L112-L368 HydrophobicContact CD2-CD1 4.11Å; N364-L368 WeakPolarHBondContact O-CB 3.34Å; N364-L368 WeakPolarHBondContact O-CG 3.42Å; N364-L368 PolarHBondContact O-N 2.93Å; V365-L368 PolarHBondContact O-N 3.45Å
369	E	92.1	Very high	88.9	Confident	57 Å²	57	66 Å²	66	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-83	-14.2	176.4	-69	-65.5	153.1	0	0	113.2	V365 R372 V373	V365-E369 HydrophobicContact CG1-CG 4.46Å; V365-E369 WeakPolarHBondContact O-CB 3.26Å; V365-E369 WeakPolarHBondContact O-CG 3.3Å; V365-E369 PolarHBondContact O-N 3.22Å; E369-R372 PolarHBondContact O-N 3.36Å; E369-R372 IonicContact OE1-CZ 3.24Å; E369-R372 IonicContact OE1-NH1 3.16Å; E369-R372 PolarHBondContact OE1-NH1 3.13Å; E369-R372 IonicContact OE2-CZ 2.75Å; E369-R372 IonicContact OE2-NE 2.71Å; E369-R372 IonicContact OE2-NH1 3.4Å; E369-R372 PolarHBondContact OE2-NH1 2.88Å; E369-V373 WeakPolarHBondContact O-CG2 3.4Å; E369-V373 PolarHBondContact O-N 3.23Å
370	Y	90.8	Very high	87.5	Confident	115 Å²	115	61 Å²	61	45%	0.451	31%	0.311	S	S	.	.	H	α-helix	trans	-48.6	-48.7	-176.2	168.4	-95.4	0	0	0	113.4	F93 I366 L367 R372 V373 E374	F93-Y370 HydrophobicContact CE1-CD1 4.26Å; F93-Y370 HydrophobicContact CZ-CD1 4.21Å; I366-Y370 WeakPolarHBondContact O-CB 3.28Å; I366-Y370 PolarHBondContact O-N 2.81Å; L367-Y370 WeakPolarHBondContact O-CB 3.36Å; Y370-R372 PolarHBondContact O-N 2.71Å; Y370-V373 PolarHBondContact O-N 3.14Å; Y370-E374 WeakPolarHBondContact CE1-OE2 3.42Å; Y370-E374 WeakPolarHBondContact O-CB 3.12Å; Y370-E374 PolarHBondContact O-N 3.1Å; Y370-E374 PolarHBondContact OH-OE2 3.25Å
371	P	84.1	Confident	86.1	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-37	-178.9	-27	41.4	0	0	0	113.1	F93 L105 V373 E374 D375	F93-P371 HydrophobicContact CE1-CG 3.39Å; F93-P371 HydrophobicContact CZ-CG 3.58Å; L105-P371 HydrophobicContact CD1-CB 3.96Å; L105-P371 HydrophobicContact CD1-CG 3.69Å; L105-P371 HydrophobicContact CD2-CG 4.27Å; P371-V373 VanDerWaalsContact C-N 3.33Å; P371-E374 PolarHBondContact O-N 3.36Å; P371-D375 WeakPolarHBondContact O-CB 3.45Å; P371-D375 PolarHBondContact O-N 2.74Å
372	R	82.6	Confident	84.7	Confident	122 Å²	122	64.8 Å²	64.8	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-66	-40.2	177.1	-171.5	-179	-66	142.6	4.8	110.6	E109 E369 Y370 I376	E109-R372 IonicContact OE1-CZ 2.93Å; E109-R372 IonicContact OE1-NH1 3.27Å; E109-R372 IonicContact OE1-NH2 3.1Å; E109-R372 PolarHBondContact OE1-NH2 3.15Å; E369-R372 PolarHBondContact O-N 3.36Å; E369-R372 IonicContact OE1-CZ 3.24Å; E369-R372 IonicContact OE1-NH1 3.16Å; E369-R372 PolarHBondContact OE1-NH1 3.13Å; E369-R372 IonicContact OE2-CZ 2.75Å; E369-R372 IonicContact OE2-NE 2.71Å; E369-R372 IonicContact OE2-NH1 3.4Å; E369-R372 PolarHBondContact OE2-NH1 2.88Å; Y370-R372 PolarHBondContact O-N 2.71Å; R372-I376 HydrophobicContact CG-CD1 4.46Å; R372-I376 WeakPolarHBondContact O-CD1 3.45Å; R372-I376 VanDerWaalsContact O-CG1 3.26Å; R372-I376 WeakPolarHBondContact O-CG1 3.31Å; R372-I376 PolarHBondContact O-N 3.18Å; R372-I376 VanDerWaalsContact O-N 3.16Å
373	V	84.5	Confident	83	Confident	73 Å²	73	60.8 Å²	60.8	44%	0.442	32%	0.323	S	S	.	.	H	α-helix	trans	-68.5	-44.2	175.9	176.1	0	0	0	0	110.9	E369 Y370 P371 D375 I376 L377	E369-V373 WeakPolarHBondContact O-CG2 3.4Å; E369-V373 PolarHBondContact O-N 3.23Å; Y370-V373 PolarHBondContact O-N 3.14Å; P371-V373 VanDerWaalsContact C-N 3.33Å; V373-D375 PolarHBondContact O-N 3.39Å; V373-I376 PolarHBondContact O-N 3.42Å; V373-L377 HydrophobicContact CG1-CD1 3.76Å; V373-L377 HydrophobicContact CG1-CG 4.24Å; V373-L377 WeakPolarHBondContact O-CB 3.5Å; V373-L377 VanDerWaalsContact O-CG 3.29Å; V373-L377 WeakPolarHBondContact O-CG 3.17Å; V373-L377 PolarHBondContact O-N 3.06Å
374	E	83.6	Confident	81.4	Confident	66 Å²	66	61.1 Å²	61.1	31%	0.308	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-44.3	176	-174.3	-179.2	177.3	0	0	111.4	Y370 P371 I376 L377 T378	Y370-E374 WeakPolarHBondContact CE1-OE2 3.42Å; Y370-E374 WeakPolarHBondContact O-CB 3.12Å; Y370-E374 PolarHBondContact O-N 3.1Å; Y370-E374 PolarHBondContact OH-OE2 3.25Å; P371-E374 PolarHBondContact O-N 3.36Å; E374-I376 VanDerWaalsContact C-N 3.26Å; E374-I376 PolarHBondContact O-N 2.78Å; E374-L377 PolarHBondContact O-N 3.24Å; E374-T378 HydrophobicContact CG-CG2 4Å; E374-T378 WeakPolarHBondContact O-CB 3.37Å; E374-T378 WeakPolarHBondContact O-CG2 3.43Å; E374-T378 PolarHBondContact O-N 3.44Å; E374-T378 PolarHBondContact O-OG1 2.87Å
375	D	75.9	Confident	79.5	Confident	22 Å²	22	68.1 Å²	68.1	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-33	177.5	-72.1	-26.4	0	0	0	111.5	P371 V373 A379 I409 Y410	P371-D375 WeakPolarHBondContact O-CB 3.45Å; P371-D375 PolarHBondContact O-N 2.74Å; V373-D375 PolarHBondContact O-N 3.39Å; D375-A379 WeakPolarHBondContact O-CB 3.3Å; D375-A379 PolarHBondContact O-N 3.24Å; D375-I409 WeakPolarHBondContact OD2-CD1 3.43Å; D375-Y410 WeakPolarHBondContact CA-OH 3.44Å; D375-Y410 WeakPolarHBondContact O-CE1 3.27Å; D375-Y410 PolarHBondContact O-OH 3.29Å
376	I	77.4	Confident	77.6	Confident	116 Å²	116	67.2 Å²	67.2	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-72.1	-43.7	174.2	-68.5	164.8	0	0	0	111.2	R372 V373 E374 A379	R372-I376 HydrophobicContact CG-CD1 4.46Å; R372-I376 WeakPolarHBondContact O-CD1 3.45Å; R372-I376 VanDerWaalsContact O-CG1 3.26Å; R372-I376 WeakPolarHBondContact O-CG1 3.31Å; R372-I376 PolarHBondContact O-N 3.18Å; R372-I376 VanDerWaalsContact O-N 3.16Å; V373-I376 PolarHBondContact O-N 3.42Å; E374-I376 VanDerWaalsContact C-N 3.26Å; E374-I376 PolarHBondContact O-N 2.78Å; I376-A379 WeakPolarHBondContact O-CB 2.91Å
377	L	79.5	Confident	75.8	Confident	141 Å²	141	64.5 Å²	64.5	74%	0.738	33%	0.333	S	S	*	.	H	α-helix	trans	-74.6	-33.1	-175.5	-69.3	175.7	0	0	0	113.3	V373 E374 A379	V373-L377 HydrophobicContact CG1-CD1 3.76Å; V373-L377 HydrophobicContact CG1-CG 4.24Å; V373-L377 WeakPolarHBondContact O-CB 3.5Å; V373-L377 VanDerWaalsContact O-CG 3.29Å; V373-L377 WeakPolarHBondContact O-CG 3.17Å; V373-L377 PolarHBondContact O-N 3.06Å; E374-L377 PolarHBondContact O-N 3.24Å; L377-A379 VanDerWaalsContact C-N 3.34Å
378	T	75.9	Confident	74	Confident	75 Å²	75	66.4 Å²	66.4	46%	0.46	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.1	179.9	64.1	0	0	0	0	112.8	E374 Y410	E374-T378 HydrophobicContact CG-CG2 4Å; E374-T378 WeakPolarHBondContact O-CB 3.37Å; E374-T378 WeakPolarHBondContact O-CG2 3.43Å; E374-T378 PolarHBondContact O-N 3.44Å; E374-T378 PolarHBondContact O-OG1 2.87Å; T378-Y410 PolarHBondContact OG1-OH 3.3Å
379	A	68.7	Low	72.5	Confident	22 Å²	22	69.1 Å²	69.1	18%	0.182	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-59.9	131.3	-174.3	0	0	0	0	0	111	D375 I376 L377 Y410 R413	D375-A379 WeakPolarHBondContact O-CB 3.3Å; D375-A379 PolarHBondContact O-N 3.24Å; I376-A379 WeakPolarHBondContact O-CB 2.91Å; L377-A379 VanDerWaalsContact C-N 3.34Å; A379-Y410 HydrophobicContact CB-CD1 4.35Å; A379-Y410 HydrophobicContact CB-CE1 3.71Å; A379-R413 VanDerWaalsContact CB-NH1 3.33Å; A379-R413 VanDerWaalsContact CB-NH2 3.31Å
380	P	69.2	Low	71.1	Confident	25 Å²	25	70.7 Å²	70.7	16%	0.162	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-60.5	153.8	176.6	-0.3	4.4	0	0	0	111.3	S384 L386 Y410 R413	P380-S384 WeakPolarHBondContact CB-OG 3.32Å; P380-L386 HydrophobicContact CB-CD2 4.15Å; P380-L386 HydrophobicContact CG-CD2 3.32Å; P380-L386 HydrophobicContact CG-CG 4.4Å; P380-Y410 HydrophobicContact CG-CD1 4.47Å; P380-Y410 HydrophobicContact CG-CD2 3.79Å; P380-Y410 HydrophobicContact CG-CE2 4.16Å; P380-Y410 HydrophobicContact CG-CG 3.98Å; P380-R413 PolarHBondContact O-NH1 3.02Å
381	G	68.3	Low	70	Confident	49 Å²	49	74.9 Å²	74.9	51%	0.505	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-57.9	150	166.7	0	0	0	0	0	111	G383 S384	G381-G383 PolarHBondContact O-N 3.02Å; G381-S384 WeakPolarHBondContact O-CB 3.37Å; G381-S384 PolarHBondContact O-N 3.43Å; G381-S384 VanDerWaalsContact O-N 3.14Å; G381-S384 PolarHBondContact O-OG 3.24Å
382	F	69.3	Low	69.3	Low	120 Å²	120	80.7 Å²	80.7	53%	0.526	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131.1	175.5	-69.1	-72	0	0	0	111	S384 R413 Y416	F382-S384 VanDerWaalsContact C-N 3.27Å; F382-S384 PolarHBondContact O-N 3.06Å; F382-R413 HydrophobicContact CD1-CB 4.05Å; F382-R413 HydrophobicContact CD1-CG 4.22Å; F382-R413 HydrophobicContact CE1-CB 4.36Å; F382-R413 HydrophobicContact CE1-CG 4.04Å; F382-Y416 HydrophobicContact CB-CG 4.28Å; F382-Y416 HydrophobicContact CD1-CD1 4.38Å; F382-Y416 AromaticContact CD1-CD2 3.35Å; F382-Y416 HydrophobicContact CD1-CD2 3.35Å; F382-Y416 AromaticContact CD1-CE2 3.73Å; F382-Y416 HydrophobicContact CD1-CE2 3.73Å; F382-Y416 AromaticContact CD1-CG 3.72Å; F382-Y416 HydrophobicContact CD1-CG 3.72Å; F382-Y416 AromaticContact CE1-CD2 3.73Å; F382-Y416 HydrophobicContact CE1-CD2 3.73Å; F382-Y416 AromaticContact CE1-CE2 3.57Å; F382-Y416 HydrophobicContact CE1-CE2 3.57Å; F382-Y416 HydrophobicContact CE1-CG 4.37Å; F382-Y416 HydrophobicContact CG-CD2 4.29Å; F382-Y416 HydrophobicContact CG-CG 4.22Å
383	G	61.7	Low	68.9	Low	11 Å²	11	77.9 Å²	77.9	11%	0.113	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	8.8	-180	0	0	0	0	0	116.6	G381 R413 Y416 R459	G381-G383 PolarHBondContact O-N 3.02Å; G383-R413 PolarHBondContact N-O 2.77Å; G383-Y416 WeakPolarHBondContact CA-O 3.46Å; G383-R459 PolarHBondContact O-NH1 3.39Å
384	S	65	Low	68.5	Low	44 Å²	44	85.4 Å²	85.4	31%	0.308	46%	0.459	S	S	.	.			trans	-64.8	144.4	174.6	73.1	0	0	0	0	111.6	P380 G381 F382 L386	P380-S384 WeakPolarHBondContact CB-OG 3.32Å; G381-S384 WeakPolarHBondContact O-CB 3.37Å; G381-S384 PolarHBondContact O-N 3.43Å; G381-S384 VanDerWaalsContact O-N 3.14Å; G381-S384 PolarHBondContact O-OG 3.24Å; F382-S384 VanDerWaalsContact C-N 3.27Å; F382-S384 PolarHBondContact O-N 3.06Å; S384-L386 PolarHBondContact O-N 2.74Å; S384-L386 VanDerWaalsContact O-N 3.1Å
385	R	58.9	Low	68.1	Low	146 Å²	146	85.1 Å²	85.1	55%	0.551	46%	0.458	S	S	*	.			trans	-66.7	106.8	168.9	-92.6	-175.3	61.5	-164.1	-5.8	108.5	D387	R385-D387 WeakPolarHBondContact CB-OD1 3.37Å; R385-D387 WeakPolarHBondContact CG-OD1 3.39Å; R385-D387 IonicContact CZ-OD1 3.63Å; R385-D387 IonicContact CZ-OD2 3.74Å; R385-D387 IonicContact NE-OD1 3.3Å; R385-D387 PolarHBondContact NE-OD1 2.88Å; R385-D387 IonicContact NE-OD2 3.22Å; R385-D387 PolarHBondContact NE-OD2 2.77Å; R385-D387 VanDerWaalsContact NH2-CG 3.3Å; R385-D387 IonicContact NH2-OD1 3.66Å; R385-D387 IonicContact NH2-OD2 2.75Å; R385-D387 PolarHBondContact NH2-OD2 2.79Å
386	L	57.5	Low	68.2	Low	38 Å²	38	87 Å²	87	20%	0.199	47%	0.473	C	S	.	.	S	Bend	trans	-69.1	-26.3	174.4	-75.4	165	0	0	0	112.7	P380 S384 W407 Y410 N414	P380-L386 HydrophobicContact CB-CD2 4.15Å; P380-L386 HydrophobicContact CG-CD2 3.32Å; P380-L386 HydrophobicContact CG-CG 4.4Å; S384-L386 PolarHBondContact O-N 2.74Å; S384-L386 VanDerWaalsContact O-N 3.1Å; L386-W407 VanDerWaalsContact CB-CD1 3.44Å; L386-W407 VanDerWaalsContact CB-NE1 3.27Å; L386-W407 HydrophobicContact CD1-CG 4.32Å; L386-Y410 HydrophobicContact CD2-CD2 4.09Å; L386-N414 WeakPolarHBondContact CD1-ND2 3.32Å; L386-N414 WeakPolarHBondContact CD1-OD1 3.42Å
387	D	58	Low	68.2	Low	63 Å²	63	86.3 Å²	86.3	34%	0.337	46%	0.463	S	S	.	.			trans	13.6	-114.9	138.1	97.2	-31.7	0	0	0	119.6	R385 L389	R385-D387 WeakPolarHBondContact CB-OD1 3.37Å; R385-D387 WeakPolarHBondContact CG-OD1 3.39Å; R385-D387 IonicContact CZ-OD1 3.63Å; R385-D387 IonicContact CZ-OD2 3.74Å; R385-D387 IonicContact NE-OD1 3.3Å; R385-D387 PolarHBondContact NE-OD1 2.88Å; R385-D387 IonicContact NE-OD2 3.22Å; R385-D387 PolarHBondContact NE-OD2 2.77Å; R385-D387 VanDerWaalsContact NH2-CG 3.3Å; R385-D387 IonicContact NH2-OD1 3.66Å; R385-D387 IonicContact NH2-OD2 2.75Å; R385-D387 PolarHBondContact NH2-OD2 2.79Å; D387-L389 HydrophobicContact CB-CB 4.34Å; D387-L389 HydrophobicContact CB-CD1 4.38Å; D387-L389 HydrophobicContact CB-CG 4.48Å; D387-L389 VanDerWaalsContact O-CG 3.32Å; D387-L389 WeakPolarHBondContact O-CG 3.17Å; D387-L389 PolarHBondContact O-N 2.86Å
388	G	56.5	Low	67.7	Low	76 Å²	76	83.7 Å²	83.7	78%	0.784	45%	0.448	S	S	*	.			trans	59.2	-16	-169.9	0	0	0	0	0	114.9	D390	G388-D390 PolarHBondContact O-N 3.38Å
389	L	62.3	Low	67.7	Low	63 Å²	63	84.8 Å²	84.8	33%	0.33	45%	0.446	S	S	.	.			trans	-70.9	119.7	-177.6	-66.5	167.7	0	0	0	108.5	D387 M395 L403 W407	D387-L389 HydrophobicContact CB-CB 4.34Å; D387-L389 HydrophobicContact CB-CD1 4.38Å; D387-L389 HydrophobicContact CB-CG 4.48Å; D387-L389 VanDerWaalsContact O-CG 3.32Å; D387-L389 WeakPolarHBondContact O-CG 3.17Å; D387-L389 PolarHBondContact O-N 2.86Å; L389-M395 HydrophobicContact CD2-CE 3.36Å; L389-M395 HydrophobicContact CD2-SD 4.34Å; L389-L403 HydrophobicContact CD2-CD1 4.42Å; L389-W407 HydrophobicContact CD1-CH2 4.01Å; L389-W407 HydrophobicContact CD1-CZ2 4.09Å
390	D	63.6	Low	68.1	Low	89 Å²	89	86.6 Å²	86.6	48%	0.476	46%	0.455	S	S	.	.			trans	-90.4	159.7	157.8	74.9	20.1	0	0	0	109	G388 N392 T393	G388-D390 PolarHBondContact O-N 3.38Å; D390-N392 PolarHBondContact O-N 2.78Å; D390-N392 VanDerWaalsContact OD1-CA 3.25Å; D390-N392 WeakPolarHBondContact OD1-CA 3.32Å; D390-N392 WeakPolarHBondContact OD1-CB 3.47Å; D390-N392 PolarHBondContact OD1-N 3.29Å; D390-T393 PolarHBondContact O-N 2.79Å; D390-T393 WeakPolarHBondContact OD1-CA 3.01Å; D390-T393 WeakPolarHBondContact OD1-CB 2.99Å; D390-T393 PolarHBondContact OD1-N 3.45Å; D390-T393 PolarHBondContact OD1-OG1 3.32Å
391	E	67.2	Low	68.3	Low	203 Å²	203	86.7 Å²	86.7	95%	0.949	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-12	177.6	-66.8	178.6	172	0	0	113.1
392	N	70.6	Confident	68.5	Low	130 Å²	130	85 Å²	85	70%	0.695	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.2	-177.3	-61.6	-41.4	0	0	0	113.2	D390 Y394	D390-N392 PolarHBondContact O-N 2.78Å; D390-N392 VanDerWaalsContact OD1-CA 3.25Å; D390-N392 WeakPolarHBondContact OD1-CA 3.32Å; D390-N392 WeakPolarHBondContact OD1-CB 3.47Å; D390-N392 PolarHBondContact OD1-N 3.29Å; N392-Y394 PolarHBondContact O-N 3Å
393	T	73.9	Confident	68.8	Low	64 Å²	64	80.8 Å²	80.8	39%	0.393	42%	0.416	S	S	.	.			trans	-85.6	98.5	-173.5	-62	0	0	0	0	109.2	D390 M395	D390-T393 PolarHBondContact O-N 2.79Å; D390-T393 WeakPolarHBondContact OD1-CA 3.01Å; D390-T393 WeakPolarHBondContact OD1-CB 2.99Å; D390-T393 PolarHBondContact OD1-N 3.45Å; D390-T393 PolarHBondContact OD1-OG1 3.32Å; T393-M395 HydrophobicContact CG2-CE 4.24Å; T393-M395 PolarHBondContact O-N 3.07Å
394	Y	74.6	Confident	69.5	Low	231 Å²	231	84.1 Å²	84.1	91%	0.906	43%	0.429	S	S	*	.			trans	-69.6	127.8	168.3	-68.1	-84.6	0	0	0	110.3	N392	N392-Y394 PolarHBondContact O-N 3Å
395	M	75.3	Confident	69.9	Low	60 Å²	60	84.9 Å²	84.9	30%	0.296	43%	0.425	S	S	.	.			trans	-126.5	140.7	-175.1	-167.8	166.9	-69.4	0	0	110.5	L389 T393 K399 V400 L403	L389-M395 HydrophobicContact CD2-CE 3.36Å; L389-M395 HydrophobicContact CD2-SD 4.34Å; T393-M395 HydrophobicContact CG2-CE 4.24Å; T393-M395 PolarHBondContact O-N 3.07Å; M395-K399 HydrophobicContact CE-CG 4.03Å; M395-K399 HydrophobicContact CG-CB 3.48Å; M395-K399 VanDerWaalsContact CG-CB 3.48Å; M395-K399 HydrophobicContact CG-CG 3.42Å; M395-K399 VanDerWaalsContact CG-CG 3.42Å; M395-K399 HydrophobicContact SD-CB 4Å; M395-K399 HydrophobicContact SD-CG 3.45Å; M395-K399 WeakPolarHBondContact SD-CG 3.46Å; M395-V400 HydrophobicContact CB-CG2 4.13Å; M395-V400 HydrophobicContact CG-CG2 3.87Å; M395-V400 HydrophobicContact SD-CG2 3.87Å; M395-L403 HydrophobicContact CE-CD1 3.62Å; M395-L403 HydrophobicContact SD-CD1 3.46Å; M395-L403 WeakPolarHBondContact SD-CD1 3.38Å; M395-L403 HydrophobicContact SD-CG 4.32Å
396	S	79.1	Confident	70.6	Confident	61 Å²	61	80.4 Å²	80.4	43%	0.427	41%	0.409	S	S	.	.			trans	-71	152.4	172.4	88.9	0	0	0	0	110.4	E398 K399 V400	S396-E398 WeakPolarHBondContact CB-OE2 3.4Å; S396-E398 PolarHBondContact O-N 2.95Å; S396-E398 PolarHBondContact OG-OE2 3.26Å; S396-K399 WeakPolarHBondContact O-CB 3.48Å; S396-K399 PolarHBondContact O-N 2.85Å; S396-K399 PolarHBondContact OG-N 3.44Å; S396-V400 PolarHBondContact O-N 2.89Å
397	Y	77.2	Confident	71.5	Confident	101 Å²	101	82.6 Å²	82.6	40%	0.396	42%	0.415	S	S	.	.	H	α-helix	trans	-56	-37.4	177	-71.5	-65.3	0	0	0	112.4	K399 V400 E401 V574 L577 R578	Y397-K399 VanDerWaalsContact C-N 3.31Å; Y397-K399 PolarHBondContact O-N 3.35Å; Y397-V400 WeakPolarHBondContact O-CB 3.45Å; Y397-V400 PolarHBondContact O-N 3.24Å; Y397-E401 WeakPolarHBondContact O-CG 3.4Å; Y397-E401 PolarHBondContact O-N 3.49Å; Y397-V574 HydrophobicContact CD1-CG1 3.92Å; Y397-V574 HydrophobicContact CG-CG1 4.15Å; Y397-L577 HydrophobicContact CD1-CB 4.47Å; Y397-L577 HydrophobicContact CE1-CB 3.71Å; Y397-L577 HydrophobicContact CE1-CD1 4.47Å; Y397-L577 PolarHBondContact OH-O 2.94Å; Y397-R578 HydrophobicContact CD1-CG 4.19Å; Y397-R578 HydrophobicContact CD2-CG 3.51Å; Y397-R578 HydrophobicContact CE1-CG 4.47Å; Y397-R578 HydrophobicContact CE2-CG 3.82Å; Y397-R578 HydrophobicContact CG-CG 3.71Å
398	E	70	Confident	72.3	Confident	87 Å²	87	83.2 Å²	83.2	41%	0.407	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-39.5	177.7	-56.2	66.4	-137	0	0	110.6	S396 E401 S402 R578	S396-E398 WeakPolarHBondContact CB-OE2 3.4Å; S396-E398 PolarHBondContact O-N 2.95Å; S396-E398 PolarHBondContact OG-OE2 3.26Å; E398-E401 PolarHBondContact O-N 3.39Å; E398-S402 VanDerWaalsContact O-CB 3.3Å; E398-S402 WeakPolarHBondContact O-CB 3.37Å; E398-S402 PolarHBondContact O-N 3.38Å; E398-R578 IonicContact OE1-CZ 3.61Å; E398-R578 IonicContact OE1-NE 2.56Å; E398-R578 IonicContact OE1-NH2 3.53Å; E398-R578 PolarHBondContact OE1-NH2 2.98Å
399	K	74.6	Confident	73	Confident	97 Å²	97	83.5 Å²	83.5	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-70.3	-35.8	177.5	-176.8	66.2	-179.5	-179.1	0	111.4	M395 S396 Y397 S402 L403	M395-K399 HydrophobicContact CE-CG 4.03Å; M395-K399 HydrophobicContact CG-CB 3.48Å; M395-K399 VanDerWaalsContact CG-CB 3.48Å; M395-K399 HydrophobicContact CG-CG 3.42Å; M395-K399 VanDerWaalsContact CG-CG 3.42Å; M395-K399 HydrophobicContact SD-CB 4Å; M395-K399 HydrophobicContact SD-CG 3.45Å; M395-K399 WeakPolarHBondContact SD-CG 3.46Å; S396-K399 WeakPolarHBondContact O-CB 3.48Å; S396-K399 PolarHBondContact O-N 2.85Å; S396-K399 PolarHBondContact OG-N 3.44Å; Y397-K399 VanDerWaalsContact C-N 3.31Å; Y397-K399 PolarHBondContact O-N 3.35Å; K399-S402 PolarHBondContact O-N 2.91Å; K399-L403 WeakPolarHBondContact O-CG 3.16Å; K399-L403 PolarHBondContact O-N 3.24Å
400	V	77.6	Confident	73.6	Confident	61 Å²	61	81 Å²	81	37%	0.37	39%	0.393	S	S	.	.	H	α-helix	trans	-62.7	-47.7	171.6	175.4	0	0	0	0	110.9	M395 S396 Y397 S402 L403 H404	M395-V400 HydrophobicContact CB-CG2 4.13Å; M395-V400 HydrophobicContact CG-CG2 3.87Å; M395-V400 HydrophobicContact SD-CG2 3.87Å; S396-V400 PolarHBondContact O-N 2.89Å; Y397-V400 WeakPolarHBondContact O-CB 3.45Å; Y397-V400 PolarHBondContact O-N 3.24Å; V400-S402 VanDerWaalsContact C-N 3.29Å; V400-S402 PolarHBondContact O-N 3.38Å; V400-L403 PolarHBondContact O-N 3Å; V400-H404 WeakPolarHBondContact O-CB 3.44Å; V400-H404 PolarHBondContact O-N 2.7Å
401	E	72.9	Confident	74.3	Confident	26 Å²	26	79.9 Å²	79.9	12%	0.121	39%	0.387	C	S	.	.	H	α-helix	trans	-56.9	-44.5	175.1	-70.9	170	151.1	0	0	111.1	T99 Y397 E398 H404 R405 V574 R578	T99-E401 HydrophobicContact CG2-CB 4.1Å; T99-E401 HydrophobicContact CG2-CG 3.9Å; T99-E401 VanDerWaalsContact CG2-OE1 3.27Å; T99-E401 WeakPolarHBondContact CG2-OE1 3.37Å; T99-E401 WeakPolarHBondContact CG2-OE2 3.43Å; Y397-E401 WeakPolarHBondContact O-CG 3.4Å; Y397-E401 PolarHBondContact O-N 3.49Å; E398-E401 PolarHBondContact O-N 3.39Å; E401-H404 PolarHBondContact O-N 2.59Å; E401-R405 WeakPolarHBondContact O-CB 3.38Å; E401-R405 PolarHBondContact O-N 3.45Å; E401-V574 HydrophobicContact CG-CB 3.87Å; E401-V574 HydrophobicContact CG-CG1 3.74Å; E401-V574 HydrophobicContact CG-CG2 3.62Å; E401-V574 WeakPolarHBondContact OE1-CB 3.41Å; E401-V574 WeakPolarHBondContact OE1-CG1 3.22Å; E401-R578 IonicContact OE1-CZ 2.64Å; E401-R578 IonicContact OE1-NH1 2.66Å; E401-R578 PolarHBondContact OE1-NH1 2.95Å; E401-R578 IonicContact OE1-NH2 2.74Å; E401-R578 IonicContact OE2-CZ 3.72Å; E401-R578 IonicContact OE2-NH1 3.53Å; E401-R578 IonicContact OE2-NH2 3.61Å; E401-R578 PolarHBondContact OE2-NH2 2.9Å
402	S	72.5	Confident	74.9	Confident	15 Å²	15	75.7 Å²	75.7	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-42	178.4	-160.6	0	0	0	0	112.4	D98 E398 K399 V400 R405 K406	D98-S402 WeakPolarHBondContact OD2-CB 3.49Å; D98-S402 PolarHBondContact OD2-OG 2.9Å; D98-S402 VanDerWaalsContact OD2-OG 3.1Å; E398-S402 VanDerWaalsContact O-CB 3.3Å; E398-S402 WeakPolarHBondContact O-CB 3.37Å; E398-S402 PolarHBondContact O-N 3.38Å; K399-S402 PolarHBondContact O-N 2.91Å; V400-S402 VanDerWaalsContact C-N 3.29Å; V400-S402 PolarHBondContact O-N 3.38Å; S402-R405 WeakPolarHBondContact O-CB 3.46Å; S402-R405 PolarHBondContact O-N 3.42Å; S402-K406 WeakPolarHBondContact O-CG 3.3Å; S402-K406 PolarHBondContact O-N 3.25Å
403	L	76.2	Confident	75.2	Confident	30 Å²	30	73 Å²	73	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-67.7	-45.2	175.1	-76.5	-175.6	0	0	0	112	L389 M395 K399 V400 R405 K406 W407	L389-L403 HydrophobicContact CD2-CD1 4.42Å; M395-L403 HydrophobicContact CE-CD1 3.62Å; M395-L403 HydrophobicContact SD-CD1 3.46Å; M395-L403 WeakPolarHBondContact SD-CD1 3.38Å; M395-L403 HydrophobicContact SD-CG 4.32Å; K399-L403 WeakPolarHBondContact O-CG 3.16Å; K399-L403 PolarHBondContact O-N 3.24Å; V400-L403 PolarHBondContact O-N 3Å; L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 PolarHBondContact O-N 2.86Å; L403-K406 CarbonylContact O-C 3.51Å; L403-K406 PolarHBondContact O-N 3.4Å; L403-W407 VanDerWaalsContact O-CG 3.26Å; L403-W407 PolarHBondContact O-N 3.47Å
404	H	76.3	Confident	75.4	Confident	82 Å²	82	71.6 Å²	71.6	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-41.6	175.9	-175.8	72	0	0	0	111	V400 E401 W407 S408 I570	V400-H404 WeakPolarHBondContact O-CB 3.44Å; V400-H404 PolarHBondContact O-N 2.7Å; E401-H404 PolarHBondContact O-N 2.59Å; H404-W407 PolarHBondContact O-N 3.46Å; H404-S408 PolarHBondContact O-N 3.41Å; H404-S408 PolarHBondContact O-OG 3.07Å; H404-I570 WeakPolarHBondContact NE2-CG2 3.25Å
405	R	73.6	Confident	76	Confident	59 Å²	59	61.3 Å²	61.3	22%	0.223	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-49.3	172.1	-171.2	-170.7	92.8	-148.1	7.6	111.7	D98 E401 S402 L403 W407 S408 I409	D98-R405 IonicContact OD2-NH1 2.93Å; E401-R405 WeakPolarHBondContact O-CB 3.38Å; E401-R405 PolarHBondContact O-N 3.45Å; S402-R405 WeakPolarHBondContact O-CB 3.46Å; S402-R405 PolarHBondContact O-N 3.42Å; L403-R405 VanDerWaalsContact C-N 3.26Å; L403-R405 PolarHBondContact O-N 2.86Å; R405-W407 VanDerWaalsContact C-N 3.3Å; R405-W407 PolarHBondContact O-N 3.2Å; R405-S408 PolarHBondContact O-N 2.89Å; R405-I409 HydrophobicContact CG-CD1 3.97Å; R405-I409 WeakPolarHBondContact O-CG1 3.35Å; R405-I409 PolarHBondContact O-N 3.38Å
406	K	73.8	Confident	76.7	Confident	52 Å²	52	61 Å²	61	23%	0.226	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-40.3	178.1	-74.7	-175.2	-179.7	-159.9	0	111.3	S402 L403 I409 Y410	S402-K406 WeakPolarHBondContact O-CG 3.3Å; S402-K406 PolarHBondContact O-N 3.25Å; L403-K406 CarbonylContact O-C 3.51Å; L403-K406 PolarHBondContact O-N 3.4Å; K406-I409 PolarHBondContact O-N 2.96Å; K406-Y410 HydrophobicContact CB-CD2 4.13Å; K406-Y410 HydrophobicContact CB-CE2 4Å; K406-Y410 HydrophobicContact CG-CE2 4.27Å; K406-Y410 WeakPolarHBondContact O-CB 3.37Å; K406-Y410 WeakPolarHBondContact O-CD2 3.28Å; K406-Y410 PolarHBondContact O-N 3.22Å
407	W	75.6	Confident	77.2	Confident	85 Å²	85	58.3 Å²	58.3	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-47.5	174.6	-65.5	-11.4	0	0	0	111.5	L386 L389 L403 H404 R405 I409 Y410 D411	L386-W407 VanDerWaalsContact CB-CD1 3.44Å; L386-W407 VanDerWaalsContact CB-NE1 3.27Å; L386-W407 HydrophobicContact CD1-CG 4.32Å; L389-W407 HydrophobicContact CD1-CH2 4.01Å; L389-W407 HydrophobicContact CD1-CZ2 4.09Å; L403-W407 VanDerWaalsContact O-CG 3.26Å; L403-W407 PolarHBondContact O-N 3.47Å; H404-W407 PolarHBondContact O-N 3.46Å; R405-W407 VanDerWaalsContact C-N 3.3Å; R405-W407 PolarHBondContact O-N 3.2Å; W407-I409 VanDerWaalsContact C-N 3.33Å; W407-I409 PolarHBondContact O-N 3.49Å; W407-Y410 CarbonylContact O-C 3.38Å; W407-Y410 PolarHBondContact O-N 3.43Å; W407-D411 WeakPolarHBondContact O-CA 3.41Å; W407-D411 WeakPolarHBondContact O-CB 3.39Å; W407-D411 PolarHBondContact O-N 3.19Å
408	S	74.1	Confident	77.7	Confident	75 Å²	75	58 Å²	58	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-37.7	176.1	-62.5	0	0	0	0	113.2	H404 R405	H404-S408 PolarHBondContact O-N 3.41Å; H404-S408 PolarHBondContact O-OG 3.07Å; R405-S408 PolarHBondContact O-N 2.89Å
409	I	72.7	Confident	78.7	Confident	82 Å²	82	54.7 Å²	54.7	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-70.2	-41.6	177.2	-69.1	169.5	0	0	0	111.3	D375 R405 K406 W407	D375-I409 WeakPolarHBondContact OD2-CD1 3.43Å; R405-I409 HydrophobicContact CG-CD1 3.97Å; R405-I409 WeakPolarHBondContact O-CG1 3.35Å; R405-I409 PolarHBondContact O-N 3.38Å; K406-I409 PolarHBondContact O-N 2.96Å; W407-I409 VanDerWaalsContact C-N 3.33Å; W407-I409 PolarHBondContact O-N 3.49Å
410	Y	74.5	Confident	79.6	Confident	12 Å²	12	50.8 Å²	50.8	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-90.7	3.1	-177.6	-59.3	-50.8	0	0	0	114	D375 T378 A379 P380 L386 K406 W407 Y412 R413	D375-Y410 WeakPolarHBondContact CA-OH 3.44Å; D375-Y410 WeakPolarHBondContact O-CE1 3.27Å; D375-Y410 PolarHBondContact O-OH 3.29Å; T378-Y410 PolarHBondContact OG1-OH 3.3Å; A379-Y410 HydrophobicContact CB-CD1 4.35Å; A379-Y410 HydrophobicContact CB-CE1 3.71Å; P380-Y410 HydrophobicContact CG-CD1 4.47Å; P380-Y410 HydrophobicContact CG-CD2 3.79Å; P380-Y410 HydrophobicContact CG-CE2 4.16Å; P380-Y410 HydrophobicContact CG-CG 3.98Å; L386-Y410 HydrophobicContact CD2-CD2 4.09Å; K406-Y410 HydrophobicContact CB-CD2 4.13Å; K406-Y410 HydrophobicContact CB-CE2 4Å; K406-Y410 HydrophobicContact CG-CE2 4.27Å; K406-Y410 WeakPolarHBondContact O-CB 3.37Å; K406-Y410 WeakPolarHBondContact O-CD2 3.28Å; K406-Y410 PolarHBondContact O-N 3.22Å; W407-Y410 CarbonylContact O-C 3.38Å; W407-Y410 PolarHBondContact O-N 3.43Å; Y410-Y412 PolarHBondContact O-N 3.33Å; Y410-Y412 VanDerWaalsContact O-N 3.13Å; Y410-R413 WeakPolarHBondContact O-CA 3.41Å; Y410-R413 VanDerWaalsContact O-CB 3.28Å; Y410-R413 WeakPolarHBondContact O-CB 3.19Å; Y410-R413 PolarHBondContact O-N 3.14Å
411	D	77.8	Confident	80.4	Confident	64 Å²	64	52.4 Å²	52.4	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-56.5	-39.1	-169.6	-166.5	42.8	0	0	0	112.7	W407 R413 N414 F415 N456	W407-D411 WeakPolarHBondContact O-CA 3.41Å; W407-D411 WeakPolarHBondContact O-CB 3.39Å; W407-D411 PolarHBondContact O-N 3.19Å; D411-R413 PolarHBondContact O-N 2.8Å; D411-N414 WeakPolarHBondContact O-CA 3.35Å; D411-N414 VanDerWaalsContact O-CB 3.32Å; D411-N414 WeakPolarHBondContact O-CB 3.36Å; D411-N414 PolarHBondContact O-N 3.2Å; D411-F415 VanDerWaalsContact O-CD1 3.26Å; D411-F415 WeakPolarHBondContact O-CD1 3.47Å; D411-F415 WeakPolarHBondContact O-CE1 3.32Å; D411-F415 PolarHBondContact O-N 2.86Å; D411-F415 WeakPolarHBondContact OD2-CE1 3.43Å; D411-N456 PolarHBondContact OD1-ND2 2.94Å
412	Y	79.2	Confident	81.2	Confident	115 Å²	115	52.7 Å²	52.7	45%	0.451	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-31.8	174.7	-177.2	-95.6	0	0	0	113.6	Y410 N414 F415 Y416 P428 L429	Y410-Y412 PolarHBondContact O-N 3.33Å; Y410-Y412 VanDerWaalsContact O-N 3.13Å; Y412-N414 VanDerWaalsContact C-N 3.27Å; Y412-N414 PolarHBondContact O-N 3.13Å; Y412-F415 AromaticContact CD2-CD2 3.63Å; Y412-F415 HydrophobicContact CD2-CD2 3.63Å; Y412-F415 AromaticContact CD2-CE2 3.78Å; Y412-F415 HydrophobicContact CD2-CE2 3.78Å; Y412-F415 HydrophobicContact CE2-CD2 4.16Å; Y412-F415 HydrophobicContact CG-CD2 4.28Å; Y412-F415 WeakPolarHBondContact O-CB 3.41Å; Y412-F415 PolarHBondContact O-N 3.29Å; Y412-Y416 HydrophobicContact CD1-CE2 4.37Å; Y412-Y416 AromaticContact CE1-CE2 3.85Å; Y412-Y416 HydrophobicContact CE1-CE2 3.85Å; Y412-P428 HydrophobicContact CE2-CG 4.44Å; Y412-L429 HydrophobicContact CE2-CD1 4.07Å
413	R	78	Confident	81.8	Confident	73 Å²	73	54.4 Å²	54.4	28%	0.275	28%	0.28	S	S	.	.	H	α-helix	trans	-71.4	-24.7	176.2	-62.1	-175.9	170.1	-124.6	-3.3	112.3	A379 P380 F382 G383 Y410 D411 F415	A379-R413 VanDerWaalsContact CB-NH1 3.33Å; A379-R413 VanDerWaalsContact CB-NH2 3.31Å; P380-R413 PolarHBondContact O-NH1 3.02Å; F382-R413 HydrophobicContact CD1-CB 4.05Å; F382-R413 HydrophobicContact CD1-CG 4.22Å; F382-R413 HydrophobicContact CE1-CB 4.36Å; F382-R413 HydrophobicContact CE1-CG 4.04Å; G383-R413 PolarHBondContact N-O 2.77Å; Y410-R413 WeakPolarHBondContact O-CA 3.41Å; Y410-R413 VanDerWaalsContact O-CB 3.28Å; Y410-R413 WeakPolarHBondContact O-CB 3.19Å; Y410-R413 PolarHBondContact O-N 3.14Å; D411-R413 PolarHBondContact O-N 2.8Å; R413-F415 VanDerWaalsContact C-N 3.27Å
414	N	78	Confident	81.4	Confident	35 Å²	35	61.9 Å²	61.9	19%	0.187	32%	0.32	C	S	.	.	H	α-helix	trans	-77.1	-15.5	175.3	-59.1	-35.7	0	0	0	112.4	L386 D411 Y412 Y416	L386-N414 WeakPolarHBondContact CD1-ND2 3.32Å; L386-N414 WeakPolarHBondContact CD1-OD1 3.42Å; D411-N414 WeakPolarHBondContact O-CA 3.35Å; D411-N414 VanDerWaalsContact O-CB 3.32Å; D411-N414 WeakPolarHBondContact O-CB 3.36Å; D411-N414 PolarHBondContact O-N 3.2Å; Y412-N414 VanDerWaalsContact C-N 3.27Å; Y412-N414 PolarHBondContact O-N 3.13Å; N414-Y416 PolarHBondContact O-N 2.9Å
415	F	87.6	Confident	80.7	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.066	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.7	175.5	-58.2	-10.2	0	0	0	112	D411 Y412 R413 A417 Y422 P428 L429 C452 A455 N456	D411-F415 VanDerWaalsContact O-CD1 3.26Å; D411-F415 WeakPolarHBondContact O-CD1 3.47Å; D411-F415 WeakPolarHBondContact O-CE1 3.32Å; D411-F415 PolarHBondContact O-N 2.86Å; D411-F415 WeakPolarHBondContact OD2-CE1 3.43Å; Y412-F415 AromaticContact CD2-CD2 3.63Å; Y412-F415 HydrophobicContact CD2-CD2 3.63Å; Y412-F415 AromaticContact CD2-CE2 3.78Å; Y412-F415 HydrophobicContact CD2-CE2 3.78Å; Y412-F415 HydrophobicContact CE2-CD2 4.16Å; Y412-F415 HydrophobicContact CG-CD2 4.28Å; Y412-F415 WeakPolarHBondContact O-CB 3.41Å; Y412-F415 PolarHBondContact O-N 3.29Å; R413-F415 VanDerWaalsContact C-N 3.27Å; F415-A417 PolarHBondContact O-N 3.1Å; F415-Y422 PolarHBondContact O-OH 3.39Å; F415-P428 VanDerWaalsContact C-CB 3.49Å; F415-P428 HydrophobicContact CB-CB 3.53Å; F415-P428 HydrophobicContact CB-CG 3.53Å; F415-P428 HydrophobicContact CD2-CG 4.46Å; F415-P428 WeakPolarHBondContact O-CB 3.44Å; F415-L429 HydrophobicContact CD2-CD1 4.5Å; F415-L429 HydrophobicContact CD2-CD2 4.06Å; F415-L429 HydrophobicContact CD2-CG 4.35Å; F415-L429 HydrophobicContact CE2-CD2 4.35Å; F415-C452 HydrophobicContact CE1-CB 4.32Å; F415-C452 HydrophobicContact CE2-CB 3.93Å; F415-C452 HydrophobicContact CZ-CB 3.72Å; F415-A455 HydrophobicContact CB-CB 3.92Å; F415-A455 HydrophobicContact CG-CB 4.26Å; F415-N456 HydrophobicContact CD1-CB 3.87Å; F415-N456 HydrophobicContact CE1-CB 4Å
416	Y	88.5	Confident	80.4	Confident	54 Å²	54	60.9 Å²	60.9	21%	0.212	34%	0.343	C	S	.	.			trans	-81.2	109.3	175.4	-70.5	-97	0	0	0	110.7	F382 G383 Y412 N414 Y422 P428	F382-Y416 HydrophobicContact CB-CG 4.28Å; F382-Y416 HydrophobicContact CD1-CD1 4.38Å; F382-Y416 AromaticContact CD1-CD2 3.35Å; F382-Y416 HydrophobicContact CD1-CD2 3.35Å; F382-Y416 AromaticContact CD1-CE2 3.73Å; F382-Y416 HydrophobicContact CD1-CE2 3.73Å; F382-Y416 AromaticContact CD1-CG 3.72Å; F382-Y416 HydrophobicContact CD1-CG 3.72Å; F382-Y416 AromaticContact CE1-CD2 3.73Å; F382-Y416 HydrophobicContact CE1-CD2 3.73Å; F382-Y416 AromaticContact CE1-CE2 3.57Å; F382-Y416 HydrophobicContact CE1-CE2 3.57Å; F382-Y416 HydrophobicContact CE1-CG 4.37Å; F382-Y416 HydrophobicContact CG-CD2 4.29Å; F382-Y416 HydrophobicContact CG-CG 4.22Å; G383-Y416 WeakPolarHBondContact CA-O 3.46Å; Y412-Y416 HydrophobicContact CD1-CE2 4.37Å; Y412-Y416 AromaticContact CE1-CE2 3.85Å; Y412-Y416 HydrophobicContact CE1-CE2 3.85Å; N414-Y416 PolarHBondContact O-N 2.9Å; Y416-Y422 WeakPolarHBondContact CA-OH 3.49Å; Y416-Y422 HydrophobicContact CD1-CD2 4.07Å; Y416-Y422 AromaticContact CD1-CE2 3.67Å; Y416-Y422 HydrophobicContact CD1-CE2 3.67Å; Y416-Y422 HydrophobicContact CE1-CD2 4.4Å; Y416-Y422 HydrophobicContact CE1-CE2 4.39Å; Y416-Y422 HydrophobicContact CG-CE2 4.47Å; Y416-P428 HydrophobicContact CD2-CG 3.9Å; Y416-P428 HydrophobicContact CE1-CG 4.39Å; Y416-P428 HydrophobicContact CE2-CG 3.64Å; Y416-P428 HydrophobicContact CG-CG 4.39Å; Y416-P428 WeakPolarHBondContact OH-CD 3.37Å
417	A	89.5	Confident	80.9	Confident	4 Å²	4	59 Å²	59	3%	0.033	34%	0.339	C	S	.	.			trans	-81	123.9	167.5	0	0	0	0	0	109.2	F415 S419 C420 Y422 A458	F415-A417 PolarHBondContact O-N 3.1Å; A417-S419 PolarHBondContact O-N 2.92Å; A417-C420 HydrophobicContact CB-CB 4.27Å; A417-C420 PolarHBondContact O-N 3.27Å; A417-Y422 PolarHBondContact N-OH 3.14Å; A417-A458 HydrophobicContact CB-CB 3.96Å
418	P	88.5	Confident	81.6	Confident	96 Å²	96	55 Å²	55	62%	0.623	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	179.8	-26.4	34.8	0	0	0	114.4
419	S	91.7	Very high	82.4	Confident	17 Å²	17	53.1 Å²	53.1	12%	0.119	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.3	176.9	53.2	0	0	0	0	113.6	A417 H434 T435 Y462	A417-S419 PolarHBondContact O-N 2.92Å; S419-H434 CarbonylContact O-C 3.56Å; S419-H434 VanDerWaalsContact O-CA 3.3Å; S419-H434 WeakPolarHBondContact O-CA 3.26Å; S419-H434 PolarHBondContact OG-ND1 2.74Å; S419-T435 PolarHBondContact O-N 3.15Å; S419-T435 PolarHBondContact O-OG1 3.24Å; S419-Y462 WeakPolarHBondContact OG-CD2 3.45Å; S419-Y462 VanDerWaalsContact OG-CG 3.3Å
420	C	93.3	Very high	83.3	Confident	14 Å²	14	49.4 Å²	49.4	10%	0.095	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.2	-175.8	-130.8	0	0	0	0	113	A417 Y422 C432 E433	A417-C420 HydrophobicContact CB-CB 4.27Å; A417-C420 PolarHBondContact O-N 3.27Å; C420-Y422 HydrophobicContact CB-CE1 4.08Å; C420-Y422 HydrophobicContact CB-CE2 3.93Å; C420-Y422 WeakPolarHBondContact O-CD2 3.45Å; C420-C432 HydrophobicContact CB-CB 3.9Å; C420-C432 WeakPolarHBondContact CB-SG 3.4Å; C420-C432 WeakPolarHBondContact SG-CB 3.38Å; C420-C432 CovalentContact SG-SG 2.03Å; C420-C432 PolarHBondContact SG-SG 3.22Å; C420-E433 VanDerWaalsContact SG-C 3.58Å
421	D	93.6	Very high	84.3	Confident	95 Å²	95	52.4 Å²	52.4	51%	0.508	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.4	165.5	-177.5	9.5	0	0	0	109.6	G423 C432 E433 T435	D421-G423 PolarHBondContact OD1-N 3.09Å; D421-C432 VanDerWaalsContact O-CA 3.3Å; D421-C432 WeakPolarHBondContact O-CA 3.28Å; D421-C432 VanDerWaalsContact O-CB 3.27Å; D421-C432 WeakPolarHBondContact O-CB 3.34Å; D421-E433 PolarHBondContact N-O 2.69Å; D421-E433 PolarHBondContact O-N 2.72Å; D421-E433 VanDerWaalsContact O-N 3.1Å; D421-T435 HydrophobicContact CB-CG2 4.15Å
422	Y	91	Very high	85.1	Confident	32 Å²	32	49.4 Å²	49.4	13%	0.125	29%	0.285	C	S	.	.			trans	-91.4	-5.1	-178	-63.3	-74.5	0	0	0	113.4	F415 Y416 A417 C420 G427 P428 C432	F415-Y422 PolarHBondContact O-OH 3.39Å; Y416-Y422 WeakPolarHBondContact CA-OH 3.49Å; Y416-Y422 HydrophobicContact CD1-CD2 4.07Å; Y416-Y422 AromaticContact CD1-CE2 3.67Å; Y416-Y422 HydrophobicContact CD1-CE2 3.67Å; Y416-Y422 HydrophobicContact CE1-CD2 4.4Å; Y416-Y422 HydrophobicContact CE1-CE2 4.39Å; Y416-Y422 HydrophobicContact CG-CE2 4.47Å; A417-Y422 PolarHBondContact N-OH 3.14Å; C420-Y422 HydrophobicContact CB-CE1 4.08Å; C420-Y422 HydrophobicContact CB-CE2 3.93Å; C420-Y422 WeakPolarHBondContact O-CD2 3.45Å; Y422-G427 WeakPolarHBondContact CD1-O 3.32Å; Y422-P428 VanDerWaalsContact CE1-CA 3.45Å; Y422-P428 HydrophobicContact CE1-CB 3.99Å; Y422-C432 HydrophobicContact CD1-CB 3.35Å; Y422-C432 HydrophobicContact CE1-CB 3.51Å; Y422-C432 WeakPolarHBondContact CE1-SG 3.46Å; Y422-C432 HydrophobicContact CG-CB 4.13Å
423	G	83.3	Confident	85.9	Confident	52 Å²	52	46.3 Å²	46.3	54%	0.536	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-147	-176.1	0	0	0	0	0	113.8	D421	D421-G423 PolarHBondContact OD1-N 3.09Å
424	D	68.5	Low	86.7	Confident	187 Å²	187	43 Å²	43	100%	1	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	1.9	-174	-66.7	-35.2	0	0	0	114.8
425	G	60.8	Low	87.5	Confident	51 Å²	51	45 Å²	45	53%	0.526	28%	0.275	S	S	.	.	S	Bend	trans	-162.8	137.3	-172.1	0	0	0	0	0	116.7
426	A	68	Low	87.8	Confident	68 Å²	68	47.7 Å²	47.7	56%	0.562	31%	0.308	S	S	*	.			trans	91.1	-21.2	174.9	0	0	0	0	0	117.9
427	G	85.4	Confident	88.2	Confident	14 Å²	14	46.2 Å²	46.2	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-145.8	-176.6	0	0	0	0	0	111.1	Y422 L429	Y422-G427 WeakPolarHBondContact CD1-O 3.32Å; G427-L429 PolarHBondContact O-N 3.32Å
428	P	89.3	Confident	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.8	-170.3	33.4	-38.5	0	0	0	114.7	Y412 F415 Y416 Y422 G430 A455	Y412-P428 HydrophobicContact CE2-CG 4.44Å; F415-P428 VanDerWaalsContact C-CB 3.49Å; F415-P428 HydrophobicContact CB-CB 3.53Å; F415-P428 HydrophobicContact CB-CG 3.53Å; F415-P428 HydrophobicContact CD2-CG 4.46Å; F415-P428 WeakPolarHBondContact O-CB 3.44Å; Y416-P428 HydrophobicContact CD2-CG 3.9Å; Y416-P428 HydrophobicContact CE1-CG 4.39Å; Y416-P428 HydrophobicContact CE2-CG 3.64Å; Y416-P428 HydrophobicContact CG-CG 4.39Å; Y416-P428 WeakPolarHBondContact OH-CD 3.37Å; Y422-P428 VanDerWaalsContact CE1-CA 3.45Å; Y422-P428 HydrophobicContact CE1-CB 3.99Å; P428-G430 PolarHBondContact O-N 2.88Å; P428-A455 HydrophobicContact CB-CB 4.42Å; P428-A455 WeakPolarHBondContact O-CB 3.4Å
429	L	90.9	Very high	88.4	Confident	35 Å²	35	52 Å²	52	18%	0.183	32%	0.321	C	S	.	.	S	Bend	trans	-102.9	60.9	175.8	-57.2	178.6	0	0	0	109	Y412 F415 G427 C452 A455 S476 A478	Y412-L429 HydrophobicContact CE2-CD1 4.07Å; F415-L429 HydrophobicContact CD2-CD1 4.5Å; F415-L429 HydrophobicContact CD2-CD2 4.06Å; F415-L429 HydrophobicContact CD2-CG 4.35Å; F415-L429 HydrophobicContact CE2-CD2 4.35Å; G427-L429 PolarHBondContact O-N 3.32Å; L429-C452 HydrophobicContact CD2-CB 4.33Å; L429-A455 HydrophobicContact CD2-CB 4.33Å; L429-S476 CarbonylContact C-O 3.56Å; L429-S476 WeakPolarHBondContact CA-O 3.5Å; L429-A478 HydrophobicContact CD1-CB 3.91Å
430	G	92.7	Very high	88.3	Confident	4 Å²	4	62.2 Å²	62.2	4%	0.041	36%	0.357	C	S	.	.	S	Bend	trans	-177.3	-157.2	178.7	0	0	0	0	0	110.2	P428 F475 S476	P428-G430 PolarHBondContact O-N 2.88Å; G430-F475 WeakPolarHBondContact O-CA 3.3Å; G430-S476 PolarHBondContact N-O 3.31Å; G430-S476 PolarHBondContact O-N 3.1Å
431	W	94.5	Very high	88.3	Confident	76 Å²	76	67.2 Å²	67.2	29%	0.288	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.2	179	-176.1	88.8	0	0	0	111.4	E433 V473 Q474 F475 E507	W431-E433 HydrophobicContact CH2-CB 3.52Å; W431-E433 HydrophobicContact CZ2-CB 3.91Å; W431-E433 HydrophobicContact CZ3-CB 4.19Å; W431-V473 HydrophobicContact CZ2-CG1 4.33Å; W431-Q474 WeakPolarHBondContact CA-O 3.4Å; W431-F475 HydrophobicContact CB-CD2 4.1Å; W431-E507 PolarHBondContact NE1-OE1 3.17Å
432	C	95	Very high	88.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156	166.9	80	0	0	0	0	111.6	C420 D421 Y422 Q474	C420-C432 HydrophobicContact CB-CB 3.9Å; C420-C432 WeakPolarHBondContact CB-SG 3.4Å; C420-C432 WeakPolarHBondContact SG-CB 3.38Å; C420-C432 CovalentContact SG-SG 2.03Å; C420-C432 PolarHBondContact SG-SG 3.22Å; D421-C432 VanDerWaalsContact O-CA 3.3Å; D421-C432 WeakPolarHBondContact O-CA 3.28Å; D421-C432 VanDerWaalsContact O-CB 3.27Å; D421-C432 WeakPolarHBondContact O-CB 3.34Å; Y422-C432 HydrophobicContact CD1-CB 3.35Å; Y422-C432 HydrophobicContact CE1-CB 3.51Å; Y422-C432 WeakPolarHBondContact CE1-SG 3.46Å; Y422-C432 HydrophobicContact CG-CB 4.13Å; C432-Q474 PolarHBondContact N-O 2.89Å; C432-Q474 PolarHBondContact O-N 3.06Å
433	E	95.4	Very high	88.5	Confident	51 Å²	51	69.1 Å²	69.1	24%	0.238	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.6	176.5	178	168.8	-178.2	0	0	111	C420 D421 W431 R471	C420-E433 VanDerWaalsContact SG-C 3.58Å; D421-E433 PolarHBondContact N-O 2.69Å; D421-E433 PolarHBondContact O-N 2.72Å; D421-E433 VanDerWaalsContact O-N 3.1Å; W431-E433 HydrophobicContact CH2-CB 3.52Å; W431-E433 HydrophobicContact CZ2-CB 3.91Å; W431-E433 HydrophobicContact CZ3-CB 4.19Å; E433-R471 WeakPolarHBondContact OE1-CD 3.31Å; E433-R471 WeakPolarHBondContact OE1-CG 3.05Å; E433-R471 IonicContact OE1-CZ 2.95Å; E433-R471 IonicContact OE1-NE 2.74Å; E433-R471 PolarHBondContact OE1-NE 2.93Å; E433-R471 IonicContact OE1-NH2 3.24Å; E433-R471 IonicContact OE2-CZ 3.85Å; E433-R471 VanDerWaalsContact OE2-CZ 3.3Å; E433-R471 IonicContact OE2-NE 2.73Å; E433-R471 PolarHBondContact OE2-NE 2.88Å; E433-R471 VanDerWaalsContact OE2-NE 3.17Å; E433-R471 IonicContact OE2-NH2 3.96Å; E433-R471 PolarHBondContact OE2-NH2 3.49Å
434	H	95.9	Very high	89.2	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.019	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.8	178	-63	-98.5	0	0	0	112.2	S419 Y462 I472	S419-H434 CarbonylContact O-C 3.56Å; S419-H434 VanDerWaalsContact O-CA 3.3Å; S419-H434 WeakPolarHBondContact O-CA 3.26Å; S419-H434 PolarHBondContact OG-ND1 2.74Å; H434-Y462 HydrophobicContact CB-CD2 3.69Å; H434-Y462 HydrophobicContact CB-CE2 3.89Å; H434-Y462 AromaticContact CG-CD2 3.8Å; H434-Y462 AromaticContact ND1-CD2 3.64Å; H434-I472 HydrophobicContact CB-CB 4.11Å; H434-I472 PolarHBondContact N-O 3.29Å
435	T	94.4	Very high	90.6	Very high	76 Å²	76	61.3 Å²	61.3	47%	0.466	33%	0.332	S	S	.	.			trans	-99	175.1	178.2	66.4	0	0	0	0	110.9	S419 D421 L437 Y462	S419-T435 PolarHBondContact O-N 3.15Å; S419-T435 PolarHBondContact O-OG1 3.24Å; D421-T435 HydrophobicContact CB-CG2 4.15Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 2.81Å; T435-Y462 WeakPolarHBondContact O-CE2 3.32Å; T435-Y462 PolarHBondContact O-OH 2.94Å; T435-Y462 VanDerWaalsContact O-OH 3.04Å
436	G	94.1	Very high	92.4	Very high	72 Å²	72	59.4 Å²	59.4	74%	0.742	31%	0.309	S	S	*	.	S	Bend	trans	78	10.7	177.7	0	0	0	0	0	115.8
437	L	95.8	Very high	93.8	Very high	22 Å²	22	56.1 Å²	56.1	12%	0.115	28%	0.283	C	S	.	.			trans	-83	143.4	179.2	-58.3	175.6	0	0	0	112.5	T435 K439 Y462 K466 A469 I472	T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 2.81Å; L437-K439 PolarHBondContact O-N 3.22Å; L437-Y462 HydrophobicContact CD2-CD2 4.33Å; L437-Y462 HydrophobicContact CD2-CE2 3.59Å; L437-Y462 HydrophobicContact CG-CE2 4.32Å; L437-K466 HydrophobicContact CD2-CB 3.74Å; L437-A469 HydrophobicContact CD1-CB 4.27Å; L437-A469 HydrophobicContact CD2-CB 4.11Å; L437-I472 HydrophobicContact CD1-CB 4.19Å; L437-I472 HydrophobicContact CD1-CD1 4.44Å; L437-I472 HydrophobicContact CD1-CG1 3.83Å; L437-I472 HydrophobicContact CD2-CD1 3.96Å; L437-I472 HydrophobicContact CD2-CG1 4.25Å
438	D	92.9	Very high	94.4	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	28%	0.276	S	S	.	.			trans	-75.7	90.8	172.6	-175.4	-11.8	0	0	0	110.4	R440 N441 G442	D438-R440 PolarHBondContact O-N 3.23Å; D438-R440 VanDerWaalsContact O-N 3.13Å; D438-R440 WeakPolarHBondContact OD1-CB 3.28Å; D438-R440 PolarHBondContact OD1-N 2.93Å; D438-N441 PolarHBondContact O-N 3.28Å; D438-N441 PolarHBondContact OD1-N 3.47Å; D438-N441 VanDerWaalsContact OD1-N 3.1Å; D438-N441 WeakPolarHBondContact OD2-CB 3.35Å; D438-N441 PolarHBondContact OD2-ND2 2.95Å; D438-G442 WeakPolarHBondContact O-CA 3.46Å; D438-G442 PolarHBondContact O-N 3.47Å
439	K	90.2	Very high	94.7	Very high	149 Å²	149	55.5 Å²	55.5	65%	0.648	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.8	-179.8	-65.1	-175.2	179.7	-179.3	0	114.1	L437	L437-K439 PolarHBondContact O-N 3.22Å
440	R	90	Very high	94.9	Very high	233 Å²	233	53.8 Å²	53.8	88%	0.879	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-45.3	-179.9	-65	-177.5	179.4	-178.8	0.5	111.3	D438	D438-R440 PolarHBondContact O-N 3.23Å; D438-R440 VanDerWaalsContact O-N 3.13Å; D438-R440 WeakPolarHBondContact OD1-CB 3.28Å; D438-R440 PolarHBondContact OD1-N 2.93Å
441	N	92.9	Very high	94.9	Very high	118 Å²	118	54 Å²	54	63%	0.631	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-20.5	-177.4	-63.2	-45.1	0	0	0	114	D438 K443	D438-N441 PolarHBondContact O-N 3.28Å; D438-N441 PolarHBondContact OD1-N 3.47Å; D438-N441 VanDerWaalsContact OD1-N 3.1Å; D438-N441 WeakPolarHBondContact OD2-CB 3.35Å; D438-N441 PolarHBondContact OD2-ND2 2.95Å; N441-K443 PolarHBondContact O-N 3.08Å
442	G	93.9	Very high	94.7	Very high	9 Å²	9	51.9 Å²	51.9	9%	0.093	26%	0.264	C	S	.	.			trans	-60.4	132.9	176.1	0	0	0	0	0	111.8	D438	D438-G442 WeakPolarHBondContact O-CA 3.46Å; D438-G442 PolarHBondContact O-N 3.47Å
443	K	95.3	Very high	94.5	Very high	159 Å²	159	56 Å²	56	69%	0.691	28%	0.279	S	S	*	.			trans	-105.2	-30.8	-172.2	-64.9	-178.4	-178.5	175.1	0	113.2	N441 Q468	N441-K443 PolarHBondContact O-N 3.08Å; K443-Q468 PolarHBondContact N-O 3.19Å
444	F	97.6	Very high	94.4	Very high	30 Å²	30	53.5 Å²	53.5	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.6	-165.8	-54	-47.8	0	0	0	113.3	F446 Q468 A469 K470 R471 D510 Y511	F444-F446 HydrophobicContact CB-CD2 4.35Å; F444-F446 HydrophobicContact CB-CE1 4.31Å; F444-F446 HydrophobicContact CB-CE2 3.8Å; F444-F446 HydrophobicContact CB-CZ 3.77Å; F444-F446 HydrophobicContact CD2-CE2 4.46Å; F444-F446 AromaticContact CD2-CZ 3.94Å; F444-F446 HydrophobicContact CD2-CZ 3.94Å; F444-F446 HydrophobicContact CG-CZ 4.3Å; F444-Q468 HydrophobicContact CD2-CB 4.09Å; F444-Q468 HydrophobicContact CE2-CB 4.48Å; F444-Q468 PolarHBondContact N-O 3.43Å; F444-A469 CarbonylContact O-C 3.53Å; F444-A469 WeakPolarHBondContact O-CA 3.27Å; F444-K470 PolarHBondContact O-N 2.88Å; F444-R471 PolarHBondContact O-N 3.23Å; F444-D510 HydrophobicContact CB-CB 4.31Å; F444-D510 HydrophobicContact CD1-CB 4.42Å; F444-Y511 HydrophobicContact CB-CD2 4.07Å; F444-Y511 HydrophobicContact CB-CE2 4.22Å; F444-Y511 HydrophobicContact CD1-CD2 4.46Å; F444-Y511 AromaticContact CD1-CE2 3.85Å; F444-Y511 HydrophobicContact CD1-CE2 3.85Å; F444-Y511 HydrophobicContact CD2-CD2 4.39Å; F444-Y511 AromaticContact CD2-CE2 3.84Å; F444-Y511 HydrophobicContact CD2-CE2 3.84Å; F444-Y511 HydrophobicContact CE1-CE2 4.23Å; F444-Y511 HydrophobicContact CE2-CE2 4.16Å; F444-Y511 HydrophobicContact CG-CD2 4.04Å; F444-Y511 AromaticContact CG-CE2 3.67Å; F444-Y511 HydrophobicContact CG-CE2 3.67Å; F444-Y511 HydrophobicContact CZ-CE2 4.35Å
445	K	97.8	Very high	94.2	Very high	44 Å²	44	53.4 Å²	53.4	19%	0.191	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.6	164.7	-178.8	172.6	179.7	169.7	0	109.1	R471 E507 D510 Y511	K445-R471 WeakPolarHBondContact CA-O 3.49Å; K445-R471 VanDerWaalsContact CE-NH1 3.26Å; K445-R471 HydrophobicContact CG-CB 4.33Å; K445-E507 WeakPolarHBondContact CE-O 3.25Å; K445-E507 WeakPolarHBondContact CE-OE2 3.22Å; K445-E507 PolarHBondContact NZ-O 3.29Å; K445-E507 IonicContact NZ-OE2 2.69Å; K445-E507 PolarHBondContact NZ-OE2 2.92Å; K445-D510 PolarHBondContact N-OD2 3.22Å; K445-D510 PolarHBondContact O-N 2.84Å; K445-Y511 PolarHBondContact O-N 3.15Å
446	F	98.2	Very high	93.9	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	139.7	175.1	-64.5	-71.8	0	0	0	110.4	F444 F461 C465 Q468 A469 R471 I472 V473 Y511 F513	F444-F446 HydrophobicContact CB-CD2 4.35Å; F444-F446 HydrophobicContact CB-CE1 4.31Å; F444-F446 HydrophobicContact CB-CE2 3.8Å; F444-F446 HydrophobicContact CB-CZ 3.77Å; F444-F446 HydrophobicContact CD2-CE2 4.46Å; F444-F446 AromaticContact CD2-CZ 3.94Å; F444-F446 HydrophobicContact CD2-CZ 3.94Å; F444-F446 HydrophobicContact CG-CZ 4.3Å; F446-F461 HydrophobicContact CB-CE1 4.33Å; F446-F461 HydrophobicContact CB-CZ 4.13Å; F446-C465 HydrophobicContact CD2-CB 4.18Å; F446-C465 HydrophobicContact CE2-CB 4.19Å; F446-Q468 HydrophobicContact CE2-CB 4.38Å; F446-Q468 HydrophobicContact CZ-CB 4.49Å; F446-A469 HydrophobicContact CD2-CB 3.52Å; F446-A469 HydrophobicContact CE2-CB 3.74Å; F446-R471 PolarHBondContact N-O 3.29Å; F446-I472 HydrophobicContact CB-CG1 4.24Å; F446-I472 HydrophobicContact CB-CG2 4.33Å; F446-I472 HydrophobicContact CD2-CG1 4.22Å; F446-I472 WeakPolarHBondContact O-CA 3.46Å; F446-V473 PolarHBondContact O-N 2.94Å; F446-Y511 WeakPolarHBondContact CA-O 3.4Å; F446-Y511 HydrophobicContact CD1-CD2 4.2Å; F446-Y511 HydrophobicContact CD1-CG 4.2Å; F446-Y511 AromaticContact CE1-CD2 3.59Å; F446-Y511 HydrophobicContact CE1-CD2 3.59Å; F446-Y511 HydrophobicContact CE1-CE2 4.44Å; F446-Y511 AromaticContact CE1-CG 3.78Å; F446-Y511 HydrophobicContact CE1-CG 3.78Å; F446-Y511 HydrophobicContact CZ-CD2 4.26Å; F446-F513 HydrophobicContact CD1-CD2 4.31Å; F446-F513 AromaticContact CD1-CE2 3.64Å; F446-F513 HydrophobicContact CD1-CE2 3.64Å; F446-F513 AromaticContact CE1-CE2 3.98Å; F446-F513 HydrophobicContact CE1-CE2 3.98Å
447	L	98.1	Very high	93.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.7	168.2	174.4	60	0	0	0	108.7	I449 V473 V504 E507 P509 Y511 L512 F513	L447-I449 HydrophobicContact CD1-CG2 4.01Å; L447-I449 HydrophobicContact CD2-CG2 4.16Å; L447-I449 HydrophobicContact CG-CG2 3.88Å; L447-V473 CarbonylContact C-O 3.5Å; L447-V473 WeakPolarHBondContact CA-O 3.4Å; L447-V473 HydrophobicContact CD1-CB 3.88Å; L447-V473 HydrophobicContact CD1-CG1 3.75Å; L447-V504 HydrophobicContact CD2-CB 4.26Å; L447-V504 HydrophobicContact CD2-CG2 3.75Å; L447-E507 HydrophobicContact CD2-CB 4.09Å; L447-E507 HydrophobicContact CD2-CG 4.37Å; L447-P509 HydrophobicContact CB-CB 3.66Å; L447-P509 HydrophobicContact CB-CG 3.8Å; L447-P509 HydrophobicContact CD2-CG 4.15Å; L447-Y511 PolarHBondContact N-O 3.19Å; L447-L512 HydrophobicContact CB-CD1 4.02Å; L447-L512 HydrophobicContact CD2-CD1 3.85Å; L447-L512 HydrophobicContact CG-CD1 3.78Å; L447-L512 WeakPolarHBondContact O-CA 3.32Å; L447-F513 PolarHBondContact O-N 3.39Å
448	L	97.4	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.3	172.1	173.8	60.7	0	0	0	109.1	A454 A458 F461 V473 Q474 F475 F513 M515	L448-A454 HydrophobicContact CD1-CB 4.27Å; L448-A454 HydrophobicContact CD2-CB 4.48Å; L448-A454 HydrophobicContact CG-CB 4.23Å; L448-A458 HydrophobicContact CD2-CB 4.39Å; L448-F461 HydrophobicContact CB-CD1 4.15Å; L448-F461 HydrophobicContact CB-CE1 3.94Å; L448-F461 HydrophobicContact CB-CZ 4.36Å; L448-F461 HydrophobicContact CD2-CB 4.19Å; L448-F461 HydrophobicContact CD2-CD1 3.93Å; L448-F461 HydrophobicContact CD2-CG 4.02Å; L448-V473 PolarHBondContact N-O 3.34Å; L448-Q474 HydrophobicContact CB-CB 4.47Å; L448-Q474 HydrophobicContact CD2-CG 4.33Å; L448-Q474 HydrophobicContact CG-CG 4.49Å; L448-Q474 CarbonylContact O-C 3.55Å; L448-Q474 VanDerWaalsContact O-CA 3.29Å; L448-Q474 WeakPolarHBondContact O-CA 3.27Å; L448-F475 PolarHBondContact O-N 3.13Å; L448-F513 HydrophobicContact CD1-CB 4Å; L448-M515 HydrophobicContact CD1-CB 3.74Å; L448-M515 HydrophobicContact CD1-CE 3.49Å; L448-M515 VanDerWaalsContact CD1-CE 3.49Å; L448-M515 HydrophobicContact CD2-CE 3.75Å; L448-M515 HydrophobicContact CG-CE 4.25Å
449	I	96.8	Very high	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.1	173	64.9	173.5	0	0	0	112	L447 F475 P482 Y500 V504 L512 F513 L514 M515 M548	L447-I449 HydrophobicContact CD1-CG2 4.01Å; L447-I449 HydrophobicContact CD2-CG2 4.16Å; L447-I449 HydrophobicContact CG-CG2 3.88Å; I449-F475 VanDerWaalsContact CA-O 3.25Å; I449-F475 WeakPolarHBondContact CA-O 3.36Å; I449-F475 HydrophobicContact CG2-CB 4.2Å; I449-P482 HydrophobicContact CD1-CB 4.13Å; I449-P482 HydrophobicContact CG1-CB 4.45Å; I449-Y500 HydrophobicContact CB-CD1 3.83Å; I449-Y500 HydrophobicContact CB-CE1 4.04Å; I449-Y500 HydrophobicContact CD1-CD1 4.21Å; I449-Y500 HydrophobicContact CG1-CD1 4.49Å; I449-Y500 HydrophobicContact CG2-CD1 4.25Å; I449-V504 HydrophobicContact CD1-CG2 4.07Å; I449-L512 HydrophobicContact CD1-CD1 3.96Å; I449-L512 HydrophobicContact CD1-CD2 4.45Å; I449-L512 HydrophobicContact CG1-CD1 3.93Å; I449-L512 HydrophobicContact CG2-CD1 4.34Å; I449-F513 PolarHBondContact N-O 3.28Å; I449-L514 HydrophobicContact CD1-CD1 3.86Å; I449-L514 HydrophobicContact CD1-CG 3.94Å; I449-L514 HydrophobicContact CG1-CD1 3.89Å; I449-L514 HydrophobicContact CG1-CG 3.87Å; I449-L514 CarbonylContact O-C 3.38Å; I449-L514 WeakPolarHBondContact O-CA 3.35Å; I449-M515 PolarHBondContact O-N 2.73Å; I449-M548 HydrophobicContact CD1-SD 3.59Å; I449-M548 VanDerWaalsContact CD1-SD 3.59Å
450	G	94.9	Very high	93.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-176	172.6	0	0	0	0	0	112.3	F475 S476 E477 Y500 M515	G450-F475 PolarHBondContact N-O 2.94Å; G450-S476 WeakPolarHBondContact O-CA 3.5Å; G450-S476 WeakPolarHBondContact O-CB 3.41Å; G450-E477 PolarHBondContact O-N 2.93Å; G450-Y500 PolarHBondContact O-OH 2.74Å; G450-M515 WeakPolarHBondContact CA-O 3.47Å
451	N	92.2	Very high	93.6	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	-164.8	-178.9	68.8	22.7	0	0	0	112.3	W453 A454 E477 C480 D481 Y500 S516 R517 F519	N451-W453 PolarHBondContact O-N 3.1Å; N451-W453 WeakPolarHBondContact OD1-CB 3.15Å; N451-W453 PolarHBondContact OD1-N 3.49Å; N451-A454 WeakPolarHBondContact O-CB 3.5Å; N451-A454 PolarHBondContact O-N 3.01Å; N451-E477 CarbonylContact C-O 3.58Å; N451-E477 WeakPolarHBondContact CA-O 3.36Å; N451-C480 WeakPolarHBondContact CB-O 3.31Å; N451-D481 PolarHBondContact ND2-OD1 2.03Å; N451-Y500 PolarHBondContact N-OH 3.21Å; N451-S516 PolarHBondContact N-OG 3.11Å; N451-S516 PolarHBondContact ND2-OG 3.27Å; N451-R517 PolarHBondContact ND2-O 3.31Å; N451-F519 WeakPolarHBondContact ND2-CE1 3.3Å
452	C	90.4	Very high	93.7	Very high	33 Å²	33	33.9 Å²	33.9	22%	0.223	16%	0.155	C	C	.	.	H	α-helix	trans	-48.9	-27.3	176.3	-55.6	0	0	0	0	113.8	F415 L429 A454 A455 N456 E477	F415-C452 HydrophobicContact CE1-CB 4.32Å; F415-C452 HydrophobicContact CE2-CB 3.93Å; F415-C452 HydrophobicContact CZ-CB 3.72Å; L429-C452 HydrophobicContact CD2-CB 4.33Å; C452-A454 VanDerWaalsContact C-N 3.35Å; C452-A454 PolarHBondContact O-N 3.04Å; C452-A455 PolarHBondContact O-N 2.92Å; C452-N456 WeakPolarHBondContact O-CB 3.33Å; C452-N456 PolarHBondContact O-N 2.96Å; C452-E477 PolarHBondContact N-O 3.49Å
453	W	89.6	Confident	93.6	Very high	85 Å²	85	36.4 Å²	36.4	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-39.1	176.5	-165.6	-108.9	0	0	0	113	N451 A455 N456 H457 R517	N451-W453 PolarHBondContact O-N 3.1Å; N451-W453 WeakPolarHBondContact OD1-CB 3.15Å; N451-W453 PolarHBondContact OD1-N 3.49Å; W453-A455 VanDerWaalsContact C-N 3.33Å; W453-A455 PolarHBondContact O-N 2.83Å; W453-N456 PolarHBondContact O-N 3.28Å; W453-H457 AromaticContact CD2-CE1 3.61Å; W453-H457 AromaticContact CD2-ND1 3.64Å; W453-H457 AromaticContact CE2-CE1 3.19Å; W453-H457 AromaticContact CE2-ND1 3.49Å; W453-H457 AromaticContact CE2-NE2 3.84Å; W453-H457 AromaticContact CE3-CE1 3.82Å; W453-H457 AromaticContact CH2-CE1 3.31Å; W453-H457 WeakPolarHBondContact CH2-CE1 3.5Å; W453-H457 AromaticContact CH2-NE2 3.92Å; W453-H457 AromaticContact CZ2-CE1 3.05Å; W453-H457 WeakPolarHBondContact CZ2-CE1 3.38Å; W453-H457 AromaticContact CZ2-ND1 3.85Å; W453-H457 AromaticContact CZ2-NE2 3.46Å; W453-H457 WeakPolarHBondContact CZ2-NE2 3.42Å; W453-H457 AromaticContact CZ3-CE1 3.67Å; W453-H457 AromaticContact NE1-CE1 3.8Å; W453-H457 AromaticContact NE1-ND1 3.72Å; W453-H457 PolarHBondContact O-N 2.85Å; W453-H457 PolarHBondContact O-ND1 2.74Å; W453-H457 VanDerWaalsContact O-ND1 3.15Å; W453-R517 HydrophobicContact CG-CB 4.48Å
454	A	93.5	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-44.1	174.2	0	0	0	0	0	111.2	L448 N451 C452 H457 A458 M515	L448-A454 HydrophobicContact CD1-CB 4.27Å; L448-A454 HydrophobicContact CD2-CB 4.48Å; L448-A454 HydrophobicContact CG-CB 4.23Å; N451-A454 WeakPolarHBondContact O-CB 3.5Å; N451-A454 PolarHBondContact O-N 3.01Å; C452-A454 VanDerWaalsContact C-N 3.35Å; C452-A454 PolarHBondContact O-N 3.04Å; A454-H457 PolarHBondContact O-N 3.24Å; A454-A458 PolarHBondContact O-N 2.59Å; A454-M515 HydrophobicContact CB-CB 4.24Å; A454-M515 WeakPolarHBondContact CB-O 3.38Å; A454-M515 PolarHBondContact N-O 2.85Å
455	A	92.7	Very high	93.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-41.2	178.1	0	0	0	0	0	112.1	F415 P428 L429 C452 W453 H457 A458	F415-A455 HydrophobicContact CB-CB 3.92Å; F415-A455 HydrophobicContact CG-CB 4.26Å; P428-A455 HydrophobicContact CB-CB 4.42Å; P428-A455 WeakPolarHBondContact O-CB 3.4Å; L429-A455 HydrophobicContact CD2-CB 4.33Å; C452-A455 PolarHBondContact O-N 2.92Å; W453-A455 VanDerWaalsContact C-N 3.33Å; W453-A455 PolarHBondContact O-N 2.83Å; A455-H457 VanDerWaalsContact C-N 3.34Å; A455-H457 PolarHBondContact O-N 2.9Å; A455-A458 VanDerWaalsContact O-CB 3.31Å; A455-A458 WeakPolarHBondContact O-CB 3.11Å; A455-A458 PolarHBondContact O-N 3.36Å
456	N	88.7	Confident	93.3	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176.7	-171.9	-89.9	0	0	0	112.6	D411 F415 C452 W453	D411-N456 PolarHBondContact OD1-ND2 2.94Å; F415-N456 HydrophobicContact CD1-CB 3.87Å; F415-N456 HydrophobicContact CE1-CB 4Å; C452-N456 WeakPolarHBondContact O-CB 3.33Å; C452-N456 PolarHBondContact O-N 2.96Å; W453-N456 PolarHBondContact O-N 3.28Å
457	H	89.9	Confident	93.1	Very high	44 Å²	44	41.8 Å²	41.8	20%	0.204	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.9	-178	-71.1	69.3	0	0	0	114.4	W453 A454 A455 R459 I460 F461 M515	W453-H457 AromaticContact CD2-CE1 3.61Å; W453-H457 AromaticContact CD2-ND1 3.64Å; W453-H457 AromaticContact CE2-CE1 3.19Å; W453-H457 AromaticContact CE2-ND1 3.49Å; W453-H457 AromaticContact CE2-NE2 3.84Å; W453-H457 AromaticContact CE3-CE1 3.82Å; W453-H457 AromaticContact CH2-CE1 3.31Å; W453-H457 WeakPolarHBondContact CH2-CE1 3.5Å; W453-H457 AromaticContact CH2-NE2 3.92Å; W453-H457 AromaticContact CZ2-CE1 3.05Å; W453-H457 WeakPolarHBondContact CZ2-CE1 3.38Å; W453-H457 AromaticContact CZ2-ND1 3.85Å; W453-H457 AromaticContact CZ2-NE2 3.46Å; W453-H457 WeakPolarHBondContact CZ2-NE2 3.42Å; W453-H457 AromaticContact CZ3-CE1 3.67Å; W453-H457 AromaticContact NE1-CE1 3.8Å; W453-H457 AromaticContact NE1-ND1 3.72Å; W453-H457 PolarHBondContact O-N 2.85Å; W453-H457 PolarHBondContact O-ND1 2.74Å; W453-H457 VanDerWaalsContact O-ND1 3.15Å; A454-H457 PolarHBondContact O-N 3.24Å; A455-H457 VanDerWaalsContact C-N 3.34Å; A455-H457 PolarHBondContact O-N 2.9Å; H457-R459 PolarHBondContact O-N 3.04Å; H457-R459 VanDerWaalsContact O-N 3.16Å; H457-I460 PolarHBondContact O-N 3.44Å; H457-I460 VanDerWaalsContact O-N 3.16Å; H457-F461 PolarHBondContact O-N 3.5Å; H457-M515 HydrophobicContact CB-CE 3.58Å; H457-M515 HydrophobicContact CB-SD 3.6Å; H457-M515 VanDerWaalsContact CB-SD 3.6Å
458	A	92	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-33.1	-176.8	0	0	0	0	0	113.5	A417 L448 A454 A455 Y462	A417-A458 HydrophobicContact CB-CB 3.96Å; L448-A458 HydrophobicContact CD2-CB 4.39Å; A454-A458 PolarHBondContact O-N 2.59Å; A455-A458 VanDerWaalsContact O-CB 3.31Å; A455-A458 WeakPolarHBondContact O-CB 3.11Å; A455-A458 PolarHBondContact O-N 3.36Å; A458-Y462 WeakPolarHBondContact O-CB 3.34Å; A458-Y462 PolarHBondContact O-N 2.92Å
459	R	89.5	Confident	93	Very high	102 Å²	102	47.2 Å²	47.2	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-49.9	177	179.6	178.2	174.6	172.5	-1.6	112.3	G383 H457 F461 Y462 D463	G383-R459 PolarHBondContact O-NH1 3.39Å; H457-R459 PolarHBondContact O-N 3.04Å; H457-R459 VanDerWaalsContact O-N 3.16Å; R459-F461 VanDerWaalsContact C-N 3.29Å; R459-F461 PolarHBondContact O-N 3.4Å; R459-Y462 WeakPolarHBondContact O-CB 3.48Å; R459-Y462 PolarHBondContact O-N 3.36Å; R459-D463 PolarHBondContact O-N 2.91Å
460	I	89.8	Confident	93	Very high	105 Å²	105	53 Å²	53	54%	0.538	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-45	178.6	-64.1	171.7	0	0	0	108.9	H457 Y462 D463 E464	H457-I460 PolarHBondContact O-N 3.44Å; H457-I460 VanDerWaalsContact O-N 3.16Å; I460-Y462 VanDerWaalsContact C-N 3.32Å; I460-Y462 PolarHBondContact O-N 3.48Å; I460-D463 PolarHBondContact O-N 2.93Å; I460-E464 HydrophobicContact CG2-CG 4.42Å; I460-E464 WeakPolarHBondContact O-CG 3.31Å; I460-E464 PolarHBondContact O-N 3.02Å
461	F	93.6	Very high	93.1	Very high	15 Å²	15	55.8 Å²	55.8	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-56.6	-46	176.3	-177.5	-100.3	0	0	0	112.5	F446 L448 H457 R459 C465 I472 F513 M515	F446-F461 HydrophobicContact CB-CE1 4.33Å; F446-F461 HydrophobicContact CB-CZ 4.13Å; L448-F461 HydrophobicContact CB-CD1 4.15Å; L448-F461 HydrophobicContact CB-CE1 3.94Å; L448-F461 HydrophobicContact CB-CZ 4.36Å; L448-F461 HydrophobicContact CD2-CB 4.19Å; L448-F461 HydrophobicContact CD2-CD1 3.93Å; L448-F461 HydrophobicContact CD2-CG 4.02Å; H457-F461 PolarHBondContact O-N 3.5Å; R459-F461 VanDerWaalsContact C-N 3.29Å; R459-F461 PolarHBondContact O-N 3.4Å; F461-C465 VanDerWaalsContact CE2-SG 3.58Å; F461-C465 VanDerWaalsContact O-CB 3.25Å; F461-C465 WeakPolarHBondContact O-CB 3.11Å; F461-C465 PolarHBondContact O-N 3.24Å; F461-C465 PolarHBondContact O-SG 2.92Å; F461-I472 HydrophobicContact CD1-CG2 4.12Å; F461-I472 HydrophobicContact CE1-CG2 3.63Å; F461-F513 HydrophobicContact CD2-CD1 4.43Å; F461-F513 HydrophobicContact CD2-CG 4.44Å; F461-F513 HydrophobicContact CE2-CB 3.95Å; F461-F513 AromaticContact CE2-CD1 3.64Å; F461-F513 HydrophobicContact CE2-CD1 3.64Å; F461-F513 AromaticContact CE2-CD2 3.52Å; F461-F513 HydrophobicContact CE2-CD2 3.52Å; F461-F513 AromaticContact CE2-CE1 3.94Å; F461-F513 HydrophobicContact CE2-CE1 3.94Å; F461-F513 AromaticContact CE2-CE2 3.84Å; F461-F513 HydrophobicContact CE2-CE2 3.84Å; F461-F513 AromaticContact CE2-CG 3.41Å; F461-F513 HydrophobicContact CE2-CG 3.41Å; F461-F513 VanDerWaalsContact CE2-CG 3.41Å; F461-F513 HydrophobicContact CE2-CZ 4.02Å; F461-F513 HydrophobicContact CZ-CB 4.27Å; F461-F513 HydrophobicContact CZ-CD1 4.49Å; F461-F513 AromaticContact CZ-CD2 3.56Å; F461-F513 HydrophobicContact CZ-CD2 3.56Å; F461-F513 AromaticContact CZ-CE2 3.96Å; F461-F513 HydrophobicContact CZ-CE2 3.96Å; F461-F513 AromaticContact CZ-CG 3.86Å; F461-F513 HydrophobicContact CZ-CG 3.86Å; F461-M515 HydrophobicContact CB-CE 4.31Å
462	Y	94.8	Very high	93.4	Very high	27 Å²	27	55.5 Å²	55.5	11%	0.106	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-48.2	175.9	173.7	-93.8	0	0	0	111.9	S419 H434 T435 L437 A458 R459 I460 E464 C465 K466 I472	S419-Y462 WeakPolarHBondContact OG-CD2 3.45Å; S419-Y462 VanDerWaalsContact OG-CG 3.3Å; H434-Y462 HydrophobicContact CB-CD2 3.69Å; H434-Y462 HydrophobicContact CB-CE2 3.89Å; H434-Y462 AromaticContact CG-CD2 3.8Å; H434-Y462 AromaticContact ND1-CD2 3.64Å; T435-Y462 WeakPolarHBondContact O-CE2 3.32Å; T435-Y462 PolarHBondContact O-OH 2.94Å; T435-Y462 VanDerWaalsContact O-OH 3.04Å; L437-Y462 HydrophobicContact CD2-CD2 4.33Å; L437-Y462 HydrophobicContact CD2-CE2 3.59Å; L437-Y462 HydrophobicContact CG-CE2 4.32Å; A458-Y462 WeakPolarHBondContact O-CB 3.34Å; A458-Y462 PolarHBondContact O-N 2.92Å; R459-Y462 WeakPolarHBondContact O-CB 3.48Å; R459-Y462 PolarHBondContact O-N 3.36Å; I460-Y462 VanDerWaalsContact C-N 3.32Å; I460-Y462 PolarHBondContact O-N 3.48Å; Y462-E464 VanDerWaalsContact C-N 3.31Å; Y462-E464 PolarHBondContact O-N 3.16Å; Y462-C465 PolarHBondContact O-N 3.24Å; Y462-K466 HydrophobicContact CD1-CD 4.17Å; Y462-K466 HydrophobicContact CE1-CB 4.3Å; Y462-K466 HydrophobicContact CE1-CD 3.66Å; Y462-K466 HydrophobicContact CE2-CB 4.18Å; Y462-K466 WeakPolarHBondContact O-CB 3.13Å; Y462-K466 WeakPolarHBondContact O-CG 3.39Å; Y462-K466 PolarHBondContact O-N 3.47Å; Y462-I472 HydrophobicContact CD2-CD1 4.07Å
463	D	92.9	Very high	93.7	Very high	63 Å²	63	53.9 Å²	53.9	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-37.2	-176.6	-80.6	-34	0	0	0	112.8	R459 I460 K466	R459-D463 PolarHBondContact O-N 2.91Å; I460-D463 PolarHBondContact O-N 2.93Å; D463-K466 WeakPolarHBondContact O-CE 3.31Å; D463-K466 IonicContact OD1-NZ 3.96Å; D463-K466 PolarHBondContact OD1-NZ 3.16Å
464	E	94.1	Very high	94	Very high	150 Å²	150	49.9 Å²	49.9	70%	0.701	24%	0.237	S	C	*	.	H	α-helix	trans	-74.5	-37.7	175.9	-66.9	-56.9	140.5	0	0	112.9	I460 Y462	I460-E464 HydrophobicContact CG2-CG 4.42Å; I460-E464 WeakPolarHBondContact O-CG 3.31Å; I460-E464 PolarHBondContact O-N 3.02Å; Y462-E464 VanDerWaalsContact C-N 3.31Å; Y462-E464 PolarHBondContact O-N 3.16Å
465	C	95.2	Very high	94.1	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.108	24%	0.241	C	C	.	.	H	α-helix	trans	-93.2	-22.8	-171.4	-64.3	0	0	0	0	114.5	F446 F461 Y462 V467 Q468 A469 I472	F446-C465 HydrophobicContact CD2-CB 4.18Å; F446-C465 HydrophobicContact CE2-CB 4.19Å; F461-C465 VanDerWaalsContact CE2-SG 3.58Å; F461-C465 VanDerWaalsContact O-CB 3.25Å; F461-C465 WeakPolarHBondContact O-CB 3.11Å; F461-C465 PolarHBondContact O-N 3.24Å; F461-C465 PolarHBondContact O-SG 2.92Å; Y462-C465 PolarHBondContact O-N 3.24Å; C465-V467 PolarHBondContact O-N 2.99Å; C465-Q468 PolarHBondContact O-N 3.15Å; C465-A469 WeakPolarHBondContact O-CB 3.42Å; C465-A469 PolarHBondContact O-N 2.7Å; C465-A469 VanDerWaalsContact O-N 3.13Å; C465-I472 HydrophobicContact CB-CD1 3.91Å
466	K	95.1	Very high	94.2	Very high	75 Å²	75	50.7 Å²	50.7	33%	0.326	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.1	-169	63.6	-170.3	174.9	-165.2	0	114.6	L437 Y462 D463 Q468 A469	L437-K466 HydrophobicContact CD2-CB 3.74Å; Y462-K466 HydrophobicContact CD1-CD 4.17Å; Y462-K466 HydrophobicContact CE1-CB 4.3Å; Y462-K466 HydrophobicContact CE1-CD 3.66Å; Y462-K466 HydrophobicContact CE2-CB 4.18Å; Y462-K466 WeakPolarHBondContact O-CB 3.13Å; Y462-K466 WeakPolarHBondContact O-CG 3.39Å; Y462-K466 PolarHBondContact O-N 3.47Å; D463-K466 WeakPolarHBondContact O-CE 3.31Å; D463-K466 IonicContact OD1-NZ 3.96Å; D463-K466 PolarHBondContact OD1-NZ 3.16Å; K466-Q468 VanDerWaalsContact C-N 3.3Å; K466-Q468 PolarHBondContact O-N 2.75Å; K466-A469 PolarHBondContact O-N 3.12Å
467	V	94.7	Very high	94.4	Very high	116 Å²	116	49.3 Å²	49.3	70%	0.703	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.9	-177.5	-179.6	0	0	0	0	112	C465	C465-V467 PolarHBondContact O-N 2.99Å
468	Q	95.7	Very high	94.4	Very high	113 Å²	113	49 Å²	49	53%	0.528	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-9.7	-179	-57.6	-171.6	18.6	0	0	112.8	K443 F444 F446 C465 K466	K443-Q468 PolarHBondContact N-O 3.19Å; F444-Q468 HydrophobicContact CD2-CB 4.09Å; F444-Q468 HydrophobicContact CE2-CB 4.48Å; F444-Q468 PolarHBondContact N-O 3.43Å; F446-Q468 HydrophobicContact CE2-CB 4.38Å; F446-Q468 HydrophobicContact CZ-CB 4.49Å; C465-Q468 PolarHBondContact O-N 3.15Å; K466-Q468 VanDerWaalsContact C-N 3.3Å; K466-Q468 PolarHBondContact O-N 2.75Å
469	A	96.9	Very high	94.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.7	-171.6	0	0	0	0	0	112.3	L437 F444 F446 C465 K466 I472	L437-A469 HydrophobicContact CD1-CB 4.27Å; L437-A469 HydrophobicContact CD2-CB 4.11Å; F444-A469 CarbonylContact O-C 3.53Å; F444-A469 WeakPolarHBondContact O-CA 3.27Å; F446-A469 HydrophobicContact CD2-CB 3.52Å; F446-A469 HydrophobicContact CE2-CB 3.74Å; C465-A469 WeakPolarHBondContact O-CB 3.42Å; C465-A469 PolarHBondContact O-N 2.7Å; C465-A469 VanDerWaalsContact O-N 3.13Å; K466-A469 PolarHBondContact O-N 3.12Å; A469-I472 HydrophobicContact CB-CD1 3.67Å; A469-I472 HydrophobicContact CB-CG1 3.41Å; A469-I472 VanDerWaalsContact CB-CG1 3.41Å
470	K	96.7	Very high	94.3	Very high	122 Å²	122	44.6 Å²	44.6	53%	0.53	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-33	160.4	-171.6	176.7	178.5	177.9	0	111.1	F444	F444-K470 PolarHBondContact O-N 2.88Å
471	R	97.4	Very high	94.4	Very high	59 Å²	59	39.6 Å²	39.6	22%	0.223	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	136.2	-178.6	-169.1	167.3	-175.5	-112.2	6.5	109.8	E433 F444 K445 F446 V473 E507	E433-R471 WeakPolarHBondContact OE1-CD 3.31Å; E433-R471 WeakPolarHBondContact OE1-CG 3.05Å; E433-R471 IonicContact OE1-CZ 2.95Å; E433-R471 IonicContact OE1-NE 2.74Å; E433-R471 PolarHBondContact OE1-NE 2.93Å; E433-R471 IonicContact OE1-NH2 3.24Å; E433-R471 IonicContact OE2-CZ 3.85Å; E433-R471 VanDerWaalsContact OE2-CZ 3.3Å; E433-R471 IonicContact OE2-NE 2.73Å; E433-R471 PolarHBondContact OE2-NE 2.88Å; E433-R471 VanDerWaalsContact OE2-NE 3.17Å; E433-R471 IonicContact OE2-NH2 3.96Å; E433-R471 PolarHBondContact OE2-NH2 3.49Å; F444-R471 PolarHBondContact O-N 3.23Å; K445-R471 WeakPolarHBondContact CA-O 3.49Å; K445-R471 VanDerWaalsContact CE-NH1 3.26Å; K445-R471 HydrophobicContact CG-CB 4.33Å; F446-R471 PolarHBondContact N-O 3.29Å; R471-V473 HydrophobicContact CG-CG2 4.2Å; R471-V473 VanDerWaalsContact NH1-CG2 3.31Å; R471-E507 IonicContact CZ-OE2 3.73Å; R471-E507 IonicContact NH1-OE1 2.92Å; R471-E507 IonicContact NH1-OE2 3.89Å; R471-E507 PolarHBondContact NH1-OE2 2.71Å; R471-E507 IonicContact NH2-OE2 3.25Å
472	I	97.9	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.6	171.4	-53.8	-179.4	0	0	0	107.5	H434 L437 F446 F461 Y462 C465 A469	H434-I472 HydrophobicContact CB-CB 4.11Å; H434-I472 PolarHBondContact N-O 3.29Å; L437-I472 HydrophobicContact CD1-CB 4.19Å; L437-I472 HydrophobicContact CD1-CD1 4.44Å; L437-I472 HydrophobicContact CD1-CG1 3.83Å; L437-I472 HydrophobicContact CD2-CD1 3.96Å; L437-I472 HydrophobicContact CD2-CG1 4.25Å; F446-I472 HydrophobicContact CB-CG1 4.24Å; F446-I472 HydrophobicContact CB-CG2 4.33Å; F446-I472 HydrophobicContact CD2-CG1 4.22Å; F446-I472 WeakPolarHBondContact O-CA 3.46Å; F461-I472 HydrophobicContact CD1-CG2 4.12Å; F461-I472 HydrophobicContact CE1-CG2 3.63Å; Y462-I472 HydrophobicContact CD2-CD1 4.07Å; C465-I472 HydrophobicContact CB-CD1 3.91Å; A469-I472 HydrophobicContact CB-CD1 3.67Å; A469-I472 HydrophobicContact CB-CG1 3.41Å; A469-I472 VanDerWaalsContact CB-CG1 3.41Å
473	V	96.7	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.4	174.6	179.7	0	0	0	0	108.2	W431 F446 L447 L448 R471 E507	W431-V473 HydrophobicContact CZ2-CG1 4.33Å; F446-V473 PolarHBondContact O-N 2.94Å; L447-V473 CarbonylContact C-O 3.5Å; L447-V473 WeakPolarHBondContact CA-O 3.4Å; L447-V473 HydrophobicContact CD1-CB 3.88Å; L447-V473 HydrophobicContact CD1-CG1 3.75Å; L448-V473 PolarHBondContact N-O 3.34Å; R471-V473 HydrophobicContact CG-CG2 4.2Å; R471-V473 VanDerWaalsContact NH1-CG2 3.31Å; V473-E507 HydrophobicContact CG1-CG 4.24Å
474	Q	95.4	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.9	173.6	172.5	-172.2	-31.5	0	0	109.5	W431 C432 L448	W431-Q474 WeakPolarHBondContact CA-O 3.4Å; C432-Q474 PolarHBondContact N-O 2.89Å; C432-Q474 PolarHBondContact O-N 3.06Å; L448-Q474 HydrophobicContact CB-CB 4.47Å; L448-Q474 HydrophobicContact CD2-CG 4.33Å; L448-Q474 HydrophobicContact CG-CG 4.49Å; L448-Q474 CarbonylContact O-C 3.55Å; L448-Q474 VanDerWaalsContact O-CA 3.29Å; L448-Q474 WeakPolarHBondContact O-CA 3.27Å
475	F	95.9	Very high	94	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	119.2	167.9	178.5	-95.1	0	0	0	110.8	G430 W431 L448 I449 G450 E477 R499 Y500 Q503	G430-F475 WeakPolarHBondContact O-CA 3.3Å; W431-F475 HydrophobicContact CB-CD2 4.1Å; L448-F475 PolarHBondContact O-N 3.13Å; I449-F475 VanDerWaalsContact CA-O 3.25Å; I449-F475 WeakPolarHBondContact CA-O 3.36Å; I449-F475 HydrophobicContact CG2-CB 4.2Å; G450-F475 PolarHBondContact N-O 2.94Å; F475-E477 HydrophobicContact CE1-CG 3.89Å; F475-E477 HydrophobicContact CZ-CG 4.12Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.32Å; F475-R499 HydrophobicContact CE1-CB 4.25Å; F475-R499 HydrophobicContact CZ-CB 3.99Å; F475-Y500 AromaticContact CD1-CD1 3.52Å; F475-Y500 HydrophobicContact CD1-CD1 3.52Å; F475-Y500 AromaticContact CD1-CE1 3.7Å; F475-Y500 HydrophobicContact CD1-CE1 3.7Å; F475-Y500 HydrophobicContact CD1-CG 4.48Å; F475-Y500 AromaticContact CE1-CD1 3.69Å; F475-Y500 HydrophobicContact CE1-CD1 3.69Å; F475-Y500 AromaticContact CE1-CE1 3.88Å; F475-Y500 HydrophobicContact CE1-CE1 3.88Å; F475-Y500 HydrophobicContact CE1-CG 4.29Å; F475-Q503 HydrophobicContact CB-CG 3.72Å; F475-Q503 HydrophobicContact CD1-CB 4.35Å; F475-Q503 HydrophobicContact CD1-CG 4.38Å; F475-Q503 HydrophobicContact CD2-CG 4.21Å; F475-Q503 HydrophobicContact CG-CB 4.27Å; F475-Q503 HydrophobicContact CG-CG 3.85Å
476	S	94.9	Very high	93.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.4	-175.1	-59.7	0	0	0	0	113.4	L429 G430 G450	L429-S476 CarbonylContact C-O 3.56Å; L429-S476 WeakPolarHBondContact CA-O 3.5Å; G430-S476 PolarHBondContact N-O 3.31Å; G430-S476 PolarHBondContact O-N 3.1Å; G450-S476 WeakPolarHBondContact O-CA 3.5Å; G450-S476 WeakPolarHBondContact O-CB 3.41Å
477	E	92.7	Very high	92.6	Very high	9 Å²	9	35 Å²	35	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.1	179.9	-70.7	-79.1	-174.2	0	0	112.2	G450 N451 C452 F475 G479 C480 Y492 A496 R499 Y500	G450-E477 PolarHBondContact O-N 2.93Å; N451-E477 CarbonylContact C-O 3.58Å; N451-E477 WeakPolarHBondContact CA-O 3.36Å; C452-E477 PolarHBondContact N-O 3.49Å; F475-E477 HydrophobicContact CE1-CG 3.89Å; F475-E477 HydrophobicContact CZ-CG 4.12Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.32Å; E477-G479 PolarHBondContact O-N 3.08Å; E477-C480 HydrophobicContact CB-CB 3.96Å; E477-Y492 PolarHBondContact OE2-OH 3.37Å; E477-A496 HydrophobicContact CG-CB 4.21Å; E477-R499 IonicContact OE1-CZ 3.89Å; E477-R499 VanDerWaalsContact OE1-CZ 3.24Å; E477-R499 IonicContact OE1-NE 3.69Å; E477-R499 PolarHBondContact OE1-NE 3.46Å; E477-R499 IonicContact OE1-NH2 3.95Å; E477-R499 PolarHBondContact OE1-NH2 2.05Å; E477-R499 IonicContact OE2-NH2 3.17Å; E477-R499 PolarHBondContact OE2-NH2 3.32Å; E477-R499 VanDerWaalsContact OE2-NH2 3.1Å; E477-Y500 HydrophobicContact CB-CE2 4.33Å; E477-Y500 WeakPolarHBondContact CB-OH 3.05Å; E477-Y500 HydrophobicContact CG-CE1 4.31Å; E477-Y500 HydrophobicContact CG-CE2 4.21Å; E477-Y500 PolarHBondContact N-OH 2.87Å
478	A	89.8	Confident	91.6	Very high	37 Å²	37	35 Å²	35	31%	0.306	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	100.3	-178.4	0	0	0	0	0	111.4	L429 C480 Y492	L429-A478 HydrophobicContact CD1-CB 3.91Å; A478-C480 VanDerWaalsContact C-N 3.28Å; A478-C480 PolarHBondContact O-N 2.9Å; A478-C480 PolarHBondContact O-SG 3.08Å; A478-Y492 HydrophobicContact CB-CE1 4.37Å
479	G	87.8	Confident	90.8	Very high	10 Å²	10	33.6 Å²	33.6	10%	0.103	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	31.3	176.5	0	0	0	0	0	114.5	E477 Y488 C493 F519	E477-G479 PolarHBondContact O-N 3.08Å; G479-Y488 WeakPolarHBondContact O-CD1 2.99Å; G479-Y488 VanDerWaalsContact O-CE1 3.31Å; G479-Y488 WeakPolarHBondContact O-CE1 3.32Å; G479-C493 PolarHBondContact O-SG 3.2Å; G479-F519 WeakPolarHBondContact O-CZ 3.06Å
480	C	91.6	Very high	90.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.			trans	-118	120	175.3	-56.7	0	0	0	0	111.4	N451 E477 A478 Y492 C493 A496 Y500	N451-C480 WeakPolarHBondContact CB-O 3.31Å; E477-C480 HydrophobicContact CB-CB 3.96Å; A478-C480 VanDerWaalsContact C-N 3.28Å; A478-C480 PolarHBondContact O-N 2.9Å; A478-C480 PolarHBondContact O-SG 3.08Å; C480-Y492 WeakPolarHBondContact SG-CD1 3.3Å; C480-Y492 VanDerWaalsContact SG-CE1 3.51Å; C480-C493 WeakPolarHBondContact CA-SG 3.34Å; C480-C493 HydrophobicContact CB-CB 3.68Å; C480-C493 WeakPolarHBondContact CB-SG 3.35Å; C480-C493 WeakPolarHBondContact SG-CA 3.09Å; C480-C493 WeakPolarHBondContact SG-CB 3.43Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 2.93Å; C480-A496 HydrophobicContact CB-CB 3.79Å; C480-Y500 PolarHBondContact O-OH 3.28Å
481	D	91.9	Very high	89.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.188	C	C	.	.			trans	-71.1	139.9	177.7	-76.5	-38.5	0	0	0	111.4	N451 L483 V484 L497 S516 M518 F519 D520	N451-D481 PolarHBondContact ND2-OD1 2.03Å; D481-L483 VanDerWaalsContact C-N 3.26Å; D481-L483 PolarHBondContact O-N 3.22Å; D481-V484 WeakPolarHBondContact CB-O 3.29Å; D481-L497 VanDerWaalsContact O-CD2 3.24Å; D481-L497 WeakPolarHBondContact O-CD2 3.08Å; D481-S516 WeakPolarHBondContact OD1-CB 3.39Å; D481-S516 PolarHBondContact OD1-OG 3.01Å; D481-M518 WeakPolarHBondContact OD1-CA 3.38Å; D481-M518 WeakPolarHBondContact OD2-CA 3.37Å; D481-F519 PolarHBondContact OD2-N 3.46Å; D481-D520 PolarHBondContact OD2-N 2.9Å
482	P	93.8	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-76	-10.9	-173.5	29	-35.1	0	0	0	114.6	I449 Y500 L514 Q544	I449-P482 HydrophobicContact CD1-CB 4.13Å; I449-P482 HydrophobicContact CG1-CB 4.45Å; P482-Y500 HydrophobicContact CB-CD1 4.2Å; P482-Y500 HydrophobicContact CB-CD2 3.9Å; P482-Y500 HydrophobicContact CB-CE1 4.29Å; P482-Y500 HydrophobicContact CB-CE2 3.95Å; P482-Y500 HydrophobicContact CB-CG 4Å; P482-L514 HydrophobicContact CG-CB 4.37Å; P482-L514 HydrophobicContact CG-CD2 4.18Å; P482-L514 HydrophobicContact CG-CG 4.12Å; P482-Q544 VanDerWaalsContact O-CG 3.31Å; P482-Q544 WeakPolarHBondContact O-CG 3.48Å; P482-Q544 PolarHBondContact O-NE2 2.77Å
483	L	94.1	Very high	89.2	Confident	5 Å²	5	41 Å²	41	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-109.7	-30.6	-173.8	-66.5	179.7	0	0	0	113.9	D481 L514 M518 M541 Q544 L545 M548 I558	D481-L483 VanDerWaalsContact C-N 3.26Å; D481-L483 PolarHBondContact O-N 3.22Å; L483-L514 HydrophobicContact CD1-CD2 3.96Å; L483-L514 HydrophobicContact CD2-CD2 3.53Å; L483-L514 HydrophobicContact CG-CD2 3.71Å; L483-M518 HydrophobicContact CD1-CE 3.9Å; L483-M541 HydrophobicContact CB-CB 4.18Å; L483-M541 HydrophobicContact CB-CE 3.99Å; L483-M541 HydrophobicContact CB-CG 3.94Å; L483-M541 HydrophobicContact CD1-CE 3.57Å; L483-M541 HydrophobicContact CG-CE 4.44Å; L483-M541 WeakPolarHBondContact O-CA 3.3Å; L483-Q544 WeakPolarHBondContact O-CB 3.43Å; L483-L545 HydrophobicContact CD2-CB 4.13Å; L483-L545 HydrophobicContact CD2-CD1 4.34Å; L483-M548 HydrophobicContact CD2-CE 3.71Å; L483-I558 HydrophobicContact CD1-CD1 4.39Å; L483-I558 HydrophobicContact CD1-CG2 4.46Å
484	V	91.6	Very high	89	Confident	5 Å²	5	44 Å²	44	3%	0.03	21%	0.213	C	C	.	.			trans	-157.6	148.8	-176.9	65	0	0	0	0	110	D481 D520 I521 I537 M541	D481-V484 WeakPolarHBondContact CB-O 3.29Å; V484-D520 HydrophobicContact CG1-CB 4.36Å; V484-I521 HydrophobicContact CG1-CG2 3.69Å; V484-I537 HydrophobicContact CG1-CG2 4.32Å; V484-I537 HydrophobicContact CG2-CG2 4.3Å; V484-M541 HydrophobicContact CB-CG 3.82Å; V484-M541 HydrophobicContact CG1-CG 3.9Å; V484-M541 HydrophobicContact CG1-SD 4.3Å
485	S	88.6	Confident	88.9	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.084	23%	0.232	C	C	.	.			trans	-146.8	129.1	165.7	-178.3	0	0	0	0	109.6	C493 D520	S485-C493 WeakPolarHBondContact OG-CB 3.18Å; S485-D520 VanDerWaalsContact CA-OD2 3.3Å; S485-D520 WeakPolarHBondContact CA-OD2 3.31Å; S485-D520 PolarHBondContact OG-OD2 2.75Å
486	H	84.4	Confident	88.8	Confident	77 Å²	77	46 Å²	46	36%	0.356	23%	0.228	S	C	.	.	S	Bend	trans	-151.9	-19.6	-177.1	80.5	-83.9	0	0	0	115	V490 D520	H486-V490 WeakPolarHBondContact O-CG2 3.12Å; H486-D520 PolarHBondContact CE1-O 2.82Å; H486-D520 PolarHBondContact ND1-O 2.85Å
487	R	77	Confident	88.8	Confident	150 Å²	150	46.9 Å²	46.9	57%	0.566	23%	0.233	S	C	*	.	S	Bend	trans	-117.2	-52.2	-179.3	-178.5	-170.3	-63.7	-175.9	-5	111.2	D520 D523	R487-D520 WeakPolarHBondContact CB-OD1 3.48Å; R487-D520 PolarHBondContact N-OD1 2.86Å; R487-D523 IonicContact CZ-OD1 2.82Å; R487-D523 IonicContact CZ-OD2 2.71Å; R487-D523 IonicContact NH1-OD1 3.81Å; R487-D523 IonicContact NH2-OD1 3.48Å; R487-D523 PolarHBondContact NH2-OD1 3.49Å; R487-D523 IonicContact NH2-OD2 3.68Å; R487-D523 PolarHBondContact NH2-OD2 2.89Å
488	Y	73.2	Confident	89	Confident	117 Å²	117	50 Å²	50	46%	0.459	25%	0.25	S	S	.	.	S	Bend	trans	-81.4	123.8	-175.7	-174.3	-95.8	0	0	0	112.1	G479 V490 F519 D520	G479-Y488 WeakPolarHBondContact O-CD1 2.99Å; G479-Y488 VanDerWaalsContact O-CE1 3.31Å; G479-Y488 WeakPolarHBondContact O-CE1 3.32Å; Y488-V490 VanDerWaalsContact C-N 3.27Å; Y488-V490 PolarHBondContact O-N 3.45Å; Y488-V490 VanDerWaalsContact O-N 3.08Å; Y488-F519 AromaticContact CD1-CE2 3.75Å; Y488-F519 HydrophobicContact CD1-CE2 3.75Å; Y488-F519 HydrophobicContact CD1-CZ 4.19Å; Y488-F519 HydrophobicContact CD2-CE2 4.29Å; Y488-F519 HydrophobicContact CE1-CE2 4.49Å; Y488-F519 HydrophobicContact CG-CD2 4.28Å; Y488-F519 AromaticContact CG-CE2 3.62Å; Y488-F519 HydrophobicContact CG-CE2 3.62Å; Y488-F519 HydrophobicContact CG-CZ 4.43Å; Y488-D520 PolarHBondContact N-OD1 3Å
489	N	79	Confident	89.3	Confident	82 Å²	82	51.7 Å²	51.7	44%	0.439	25%	0.248	S	C	.	.	S	Bend	trans	39.8	52.8	172.3	-163.1	0.5	0	0	0	113.8	E491 Y492 C493	N489-E491 PolarHBondContact O-N 3.22Å; N489-E491 VanDerWaalsContact O-N 3.13Å; N489-Y492 PolarHBondContact O-N 3.42Å; N489-Y492 WeakPolarHBondContact OD1-CB 3.16Å; N489-C493 PolarHBondContact O-N 2.97Å
490	V	85.2	Confident	89.7	Confident	66 Å²	66	51.2 Å²	51.2	40%	0.4	24%	0.243	S	C	.	.	H	α-helix	trans	-53.6	-38.8	-169.8	179.8	0	0	0	0	112.4	H486 Y488 Y492 V494	H486-V490 WeakPolarHBondContact O-CG2 3.12Å; Y488-V490 VanDerWaalsContact C-N 3.27Å; Y488-V490 PolarHBondContact O-N 3.45Å; Y488-V490 VanDerWaalsContact O-N 3.08Å; V490-Y492 VanDerWaalsContact C-N 3.28Å; V490-Y492 PolarHBondContact O-N 3.24Å; V490-V494 HydrophobicContact CG1-CG2 3.61Å; V490-V494 WeakPolarHBondContact O-CB 3.39Å; V490-V494 WeakPolarHBondContact O-CG2 3.35Å; V490-V494 PolarHBondContact O-N 2.76Å; V490-V494 VanDerWaalsContact O-N 3.08Å
491	E	88.6	Confident	90	Very high	178 Å²	178	51.6 Å²	51.6	83%	0.832	25%	0.247	S	C	*	.	H	α-helix	trans	-59.8	-36.6	178.8	-172.2	176	-176.9	0	0	112.6	N489 P495	N489-E491 PolarHBondContact O-N 3.22Å; N489-E491 VanDerWaalsContact O-N 3.13Å; E491-P495 WeakPolarHBondContact O-CD 3.49Å; E491-P495 WeakPolarHBondContact O-CG 3.25Å
492	Y	88.9	Confident	90.3	Very high	92 Å²	92	57.4 Å²	57.4	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-89.8	-40.5	179.2	-177.7	-103.2	0	0	0	113	E477 A478 C480 N489 V490 P495	E477-Y492 PolarHBondContact OE2-OH 3.37Å; A478-Y492 HydrophobicContact CB-CE1 4.37Å; C480-Y492 WeakPolarHBondContact SG-CD1 3.3Å; C480-Y492 VanDerWaalsContact SG-CE1 3.51Å; N489-Y492 PolarHBondContact O-N 3.42Å; N489-Y492 WeakPolarHBondContact OD1-CB 3.16Å; V490-Y492 VanDerWaalsContact C-N 3.28Å; V490-Y492 PolarHBondContact O-N 3.24Å; Y492-P495 WeakPolarHBondContact O-CD 3.37Å
493	C	92.1	Very high	90.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-86.9	-25.7	-169.1	-70.6	0	0	0	0	115	G479 C480 S485 N489 A496 L497	G479-C493 PolarHBondContact O-SG 3.2Å; C480-C493 WeakPolarHBondContact CA-SG 3.34Å; C480-C493 HydrophobicContact CB-CB 3.68Å; C480-C493 WeakPolarHBondContact CB-SG 3.35Å; C480-C493 WeakPolarHBondContact SG-CA 3.09Å; C480-C493 WeakPolarHBondContact SG-CB 3.43Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 2.93Å; S485-C493 WeakPolarHBondContact OG-CB 3.18Å; N489-C493 PolarHBondContact O-N 2.97Å; C493-A496 VanDerWaalsContact O-CB 3.32Å; C493-A496 WeakPolarHBondContact O-CB 3.47Å; C493-A496 PolarHBondContact O-N 3.42Å; C493-A496 VanDerWaalsContact O-N 3.15Å; C493-L497 PolarHBondContact O-N 3.49Å
494	V	92.4	Very high	90.6	Very high	63 Å²	63	57.9 Å²	57.9	38%	0.382	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-47.8	172.5	170	0	0	0	0	111.2	V490 A496 L497	V490-V494 HydrophobicContact CG1-CG2 3.61Å; V490-V494 WeakPolarHBondContact O-CB 3.39Å; V490-V494 WeakPolarHBondContact O-CG2 3.35Å; V490-V494 PolarHBondContact O-N 2.76Å; V490-V494 VanDerWaalsContact O-N 3.08Å; V494-A496 PolarHBondContact O-N 3.47Å; V494-L497 WeakPolarHBondContact O-CB 3.48Å; V494-L497 PolarHBondContact O-N 2.62Å
495	P	94.3	Very high	90.9	Very high	62 Å²	62	62 Å²	62	40%	0.403	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-25.9	171.7	-24.9	35.2	0	0	0	114.4	E491 Y492 L497 D498 R499	E491-P495 WeakPolarHBondContact O-CD 3.49Å; E491-P495 WeakPolarHBondContact O-CG 3.25Å; Y492-P495 WeakPolarHBondContact O-CD 3.37Å; P495-L497 VanDerWaalsContact C-N 3.28Å; P495-L497 PolarHBondContact O-N 3.42Å; P495-D498 PolarHBondContact O-N 3.04Å; P495-R499 PolarHBondContact O-N 3.06Å; P495-R499 PolarHBondContact O-NH1 3.18Å
496	A	93.4	Very high	91.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-30.7	178.4	0	0	0	0	0	112.4	E477 C480 C493 V494 D498 R499 Y500	E477-A496 HydrophobicContact CG-CB 4.21Å; C480-A496 HydrophobicContact CB-CB 3.79Å; C493-A496 VanDerWaalsContact O-CB 3.32Å; C493-A496 WeakPolarHBondContact O-CB 3.47Å; C493-A496 PolarHBondContact O-N 3.42Å; C493-A496 VanDerWaalsContact O-N 3.15Å; V494-A496 PolarHBondContact O-N 3.47Å; A496-D498 VanDerWaalsContact C-N 3.3Å; A496-D498 PolarHBondContact O-N 2.91Å; A496-R499 PolarHBondContact O-N 3.33Å; A496-Y500 HydrophobicContact CB-CE2 4.47Å; A496-Y500 WeakPolarHBondContact O-CD2 3.41Å; A496-Y500 PolarHBondContact O-N 3.46Å
497	L	95.4	Very high	91.9	Very high	18 Å²	18	65.5 Å²	65.5	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-44.1	175.4	-64.3	173.9	0	0	0	111.5	D481 C493 V494 P495 Y500 A501 Q544	D481-L497 VanDerWaalsContact O-CD2 3.24Å; D481-L497 WeakPolarHBondContact O-CD2 3.08Å; C493-L497 PolarHBondContact O-N 3.49Å; V494-L497 WeakPolarHBondContact O-CB 3.48Å; V494-L497 PolarHBondContact O-N 2.62Å; P495-L497 VanDerWaalsContact C-N 3.28Å; P495-L497 PolarHBondContact O-N 3.42Å; L497-Y500 PolarHBondContact O-N 3.37Å; L497-A501 PolarHBondContact O-N 3.38Å; L497-Q544 HydrophobicContact CD2-CG 4.42Å; L497-Q544 PolarHBondContact O-NE2 3.04Å
498	D	96.1	Very high	92.9	Very high	76 Å²	76	63.9 Å²	63.9	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-38.6	178.5	-68.1	-38.8	0	0	0	111.2	P495 A496 Y500 A501 E502 K547	P495-D498 PolarHBondContact O-N 3.04Å; A496-D498 VanDerWaalsContact C-N 3.3Å; A496-D498 PolarHBondContact O-N 2.91Å; D498-Y500 VanDerWaalsContact C-N 3.34Å; D498-Y500 PolarHBondContact O-N 2.64Å; D498-A501 PolarHBondContact O-N 2.88Å; D498-A501 VanDerWaalsContact O-N 3.11Å; D498-E502 WeakPolarHBondContact O-CB 3.15Å; D498-E502 VanDerWaalsContact O-CG 3.31Å; D498-E502 WeakPolarHBondContact O-CG 3.35Å; D498-E502 PolarHBondContact O-N 3.37Å; D498-K547 IonicContact OD1-NZ 2.61Å; D498-K547 PolarHBondContact OD1-NZ 2.93Å
499	R	95.9	Very high	94.1	Very high	71 Å²	71	58.3 Å²	58.3	27%	0.268	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-40.5	174.5	-64.1	-166.2	-62	-87.8	9.8	113.1	F475 E477 P495 A496 Q503	F475-R499 HydrophobicContact CE1-CB 4.25Å; F475-R499 HydrophobicContact CZ-CB 3.99Å; E477-R499 IonicContact OE1-CZ 3.89Å; E477-R499 VanDerWaalsContact OE1-CZ 3.24Å; E477-R499 IonicContact OE1-NE 3.69Å; E477-R499 PolarHBondContact OE1-NE 3.46Å; E477-R499 IonicContact OE1-NH2 3.95Å; E477-R499 PolarHBondContact OE1-NH2 2.05Å; E477-R499 IonicContact OE2-NH2 3.17Å; E477-R499 PolarHBondContact OE2-NH2 3.32Å; E477-R499 VanDerWaalsContact OE2-NH2 3.1Å; P495-R499 PolarHBondContact O-N 3.06Å; P495-R499 PolarHBondContact O-NH1 3.18Å; A496-R499 PolarHBondContact O-N 3.33Å; R499-Q503 WeakPolarHBondContact O-CB 3.45Å; R499-Q503 PolarHBondContact O-N 3.07Å
500	Y	97.3	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-47.1	173.1	-75.4	-62.1	0	0	0	111.9	I449 G450 N451 F475 E477 C480 P482 A496 L497 D498 Q503 V504	I449-Y500 HydrophobicContact CB-CD1 3.83Å; I449-Y500 HydrophobicContact CB-CE1 4.04Å; I449-Y500 HydrophobicContact CD1-CD1 4.21Å; I449-Y500 HydrophobicContact CG1-CD1 4.49Å; I449-Y500 HydrophobicContact CG2-CD1 4.25Å; G450-Y500 PolarHBondContact O-OH 2.74Å; N451-Y500 PolarHBondContact N-OH 3.21Å; F475-Y500 AromaticContact CD1-CD1 3.52Å; F475-Y500 HydrophobicContact CD1-CD1 3.52Å; F475-Y500 AromaticContact CD1-CE1 3.7Å; F475-Y500 HydrophobicContact CD1-CE1 3.7Å; F475-Y500 HydrophobicContact CD1-CG 4.48Å; F475-Y500 AromaticContact CE1-CD1 3.69Å; F475-Y500 HydrophobicContact CE1-CD1 3.69Å; F475-Y500 AromaticContact CE1-CE1 3.88Å; F475-Y500 HydrophobicContact CE1-CE1 3.88Å; F475-Y500 HydrophobicContact CE1-CG 4.29Å; E477-Y500 HydrophobicContact CB-CE2 4.33Å; E477-Y500 WeakPolarHBondContact CB-OH 3.05Å; E477-Y500 HydrophobicContact CG-CE1 4.31Å; E477-Y500 HydrophobicContact CG-CE2 4.21Å; E477-Y500 PolarHBondContact N-OH 2.87Å; C480-Y500 PolarHBondContact O-OH 3.28Å; P482-Y500 HydrophobicContact CB-CD1 4.2Å; P482-Y500 HydrophobicContact CB-CD2 3.9Å; P482-Y500 HydrophobicContact CB-CE1 4.29Å; P482-Y500 HydrophobicContact CB-CE2 3.95Å; P482-Y500 HydrophobicContact CB-CG 4Å; A496-Y500 HydrophobicContact CB-CE2 4.47Å; A496-Y500 WeakPolarHBondContact O-CD2 3.41Å; A496-Y500 PolarHBondContact O-N 3.46Å; L497-Y500 PolarHBondContact O-N 3.37Å; D498-Y500 VanDerWaalsContact C-N 3.34Å; D498-Y500 PolarHBondContact O-N 2.64Å; Y500-Q503 PolarHBondContact O-N 3.3Å; Y500-V504 WeakPolarHBondContact O-CG2 3.48Å; Y500-V504 PolarHBondContact O-N 3.05Å; Y500-V504 VanDerWaalsContact O-N 3.07Å
501	A	97.4	Very high	95.6	Very high	9 Å²	9	54.3 Å²	54.3	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-43.7	-179.9	0	0	0	0	0	111.9	L497 D498 Q503 V504 E505 K547 M548	L497-A501 PolarHBondContact O-N 3.38Å; D498-A501 PolarHBondContact O-N 2.88Å; D498-A501 VanDerWaalsContact O-N 3.11Å; A501-Q503 VanDerWaalsContact C-N 3.28Å; A501-Q503 PolarHBondContact O-N 3.01Å; A501-V504 PolarHBondContact O-N 3.22Å; A501-E505 WeakPolarHBondContact O-CB 3.44Å; A501-E505 PolarHBondContact O-N 3.04Å; A501-K547 HydrophobicContact CB-CB 4.23Å; A501-K547 HydrophobicContact CB-CD 4.32Å; A501-M548 HydrophobicContact CB-CG 4.4Å
502	E	97.2	Very high	96.1	Very high	122 Å²	122	45.8 Å²	45.8	57%	0.57	22%	0.217	S	C	*	.	H	α-helix	trans	-57.6	-41.8	174.6	-74.6	173.9	-177	0	0	111.6	D498 E505 K506	D498-E502 WeakPolarHBondContact O-CB 3.15Å; D498-E502 VanDerWaalsContact O-CG 3.31Å; D498-E502 WeakPolarHBondContact O-CG 3.35Å; D498-E502 PolarHBondContact O-N 3.37Å; E502-E505 PolarHBondContact O-N 3.36Å; E502-K506 VanDerWaalsContact O-CB 3.3Å; E502-K506 WeakPolarHBondContact O-CB 3.19Å; E502-K506 PolarHBondContact O-N 3.43Å
503	Q	96	Very high	96.5	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-38	179.9	-171.4	52.6	30.3	0	0	112.1	F475 R499 Y500 A501 E507	F475-Q503 HydrophobicContact CB-CG 3.72Å; F475-Q503 HydrophobicContact CD1-CB 4.35Å; F475-Q503 HydrophobicContact CD1-CG 4.38Å; F475-Q503 HydrophobicContact CD2-CG 4.21Å; F475-Q503 HydrophobicContact CG-CB 4.27Å; F475-Q503 HydrophobicContact CG-CG 3.85Å; R499-Q503 WeakPolarHBondContact O-CB 3.45Å; R499-Q503 PolarHBondContact O-N 3.07Å; Y500-Q503 PolarHBondContact O-N 3.3Å; A501-Q503 VanDerWaalsContact C-N 3.28Å; A501-Q503 PolarHBondContact O-N 3.01Å; Q503-E507 HydrophobicContact CG-CG 4.48Å; Q503-E507 PolarHBondContact NE2-OE1 3.06Å; Q503-E507 WeakPolarHBondContact O-CB 3.34Å; Q503-E507 WeakPolarHBondContact O-CG 3.36Å; Q503-E507 PolarHBondContact O-N 3.37Å
504	V	98.2	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-41	172.5	-179.7	0	0	0	0	111.1	L447 I449 Y500 A501 E507 K508 L512 M548 H551 V552	L447-V504 HydrophobicContact CD2-CB 4.26Å; L447-V504 HydrophobicContact CD2-CG2 3.75Å; I449-V504 HydrophobicContact CD1-CG2 4.07Å; Y500-V504 WeakPolarHBondContact O-CG2 3.48Å; Y500-V504 PolarHBondContact O-N 3.05Å; Y500-V504 VanDerWaalsContact O-N 3.07Å; A501-V504 PolarHBondContact O-N 3.22Å; V504-E507 PolarHBondContact O-N 2.7Å; V504-K508 PolarHBondContact O-N 3.36Å; V504-L512 HydrophobicContact CG1-CD2 4.07Å; V504-L512 HydrophobicContact CG2-CD1 3.89Å; V504-L512 HydrophobicContact CG2-CD2 3.86Å; V504-M548 HydrophobicContact CB-CB 4.34Å; V504-M548 HydrophobicContact CB-CG 4.11Å; V504-M548 HydrophobicContact CG1-CB 4.05Å; V504-M548 HydrophobicContact CG1-CG 4.37Å; V504-M548 HydrophobicContact CG2-CB 4.32Å; V504-M548 HydrophobicContact CG2-CG 3.9Å; V504-M548 HydrophobicContact CG2-SD 3.79Å; V504-H551 HydrophobicContact CG1-CB 4.11Å; V504-V552 HydrophobicContact CG1-CG2 3.93Å
505	E	98	Very high	96.6	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-42.2	176.9	176.6	161.3	-159.2	0	0	112.7	A501 E502 K508 H551	A501-E505 WeakPolarHBondContact O-CB 3.44Å; A501-E505 PolarHBondContact O-N 3.04Å; E502-E505 PolarHBondContact O-N 3.36Å; E505-K508 VanDerWaalsContact O-CE 3.26Å; E505-K508 WeakPolarHBondContact O-CE 3.49Å; E505-K508 WeakPolarHBondContact O-CG 3.41Å; E505-H551 IonicContact OE1-CE1 3.6Å; E505-H551 IonicContact OE1-NE2 3.71Å; E505-H551 IonicContact OE2-NE2 3.79Å
506	K	97.2	Very high	96.4	Very high	150 Å²	150	37.6 Å²	37.6	65%	0.652	17%	0.172	S	C	*	.	H	α-helix	trans	-65.4	-44.7	176.4	-178.1	-179.2	175.9	-174	0	111.6	E502	E502-K506 VanDerWaalsContact O-CB 3.3Å; E502-K506 WeakPolarHBondContact O-CB 3.19Å; E502-K506 PolarHBondContact O-N 3.43Å
507	E	96.9	Very high	96	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	18%	0.184	C	C	.	.	H	α-helix	trans	-83.9	-32.4	-172.7	-64.5	-62.7	168.9	0	0	113.7	W431 K445 L447 R471 V473 Q503 V504	W431-E507 PolarHBondContact NE1-OE1 3.17Å; K445-E507 WeakPolarHBondContact CE-O 3.25Å; K445-E507 WeakPolarHBondContact CE-OE2 3.22Å; K445-E507 PolarHBondContact NZ-O 3.29Å; K445-E507 IonicContact NZ-OE2 2.69Å; K445-E507 PolarHBondContact NZ-OE2 2.92Å; L447-E507 HydrophobicContact CD2-CB 4.09Å; L447-E507 HydrophobicContact CD2-CG 4.37Å; R471-E507 IonicContact CZ-OE2 3.73Å; R471-E507 IonicContact NH1-OE1 2.92Å; R471-E507 IonicContact NH1-OE2 3.89Å; R471-E507 PolarHBondContact NH1-OE2 2.71Å; R471-E507 IonicContact NH2-OE2 3.25Å; V473-E507 HydrophobicContact CG1-CG 4.24Å; Q503-E507 HydrophobicContact CG-CG 4.48Å; Q503-E507 PolarHBondContact NE2-OE1 3.06Å; Q503-E507 WeakPolarHBondContact O-CB 3.34Å; Q503-E507 WeakPolarHBondContact O-CG 3.36Å; Q503-E507 PolarHBondContact O-N 3.37Å; V504-E507 PolarHBondContact O-N 2.7Å
508	K	97.8	Very high	95.4	Very high	115 Å²	115	41.1 Å²	41.1	50%	0.5	19%	0.186	S	C	.	.			trans	48.1	57.7	-177.7	-53.6	-176.2	-179.5	176.8	0	113	V504 E505 H551	V504-K508 PolarHBondContact O-N 3.36Å; E505-K508 VanDerWaalsContact O-CE 3.26Å; E505-K508 WeakPolarHBondContact O-CE 3.49Å; E505-K508 WeakPolarHBondContact O-CG 3.41Å; K508-H551 CarbonylContact C-O 3.58Å; K508-H551 VanDerWaalsContact CA-O 3.27Å; K508-H551 WeakPolarHBondContact CA-O 3.49Å
509	P	98	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.182	C	C	.	.			trans	-67.2	156.8	-173.8	32.3	-38.5	0	0	0	112.3	L447 L512 V552 K553	L447-P509 HydrophobicContact CB-CB 3.66Å; L447-P509 HydrophobicContact CB-CG 3.8Å; L447-P509 HydrophobicContact CD2-CG 4.15Å; P509-L512 HydrophobicContact CG-CB 4.18Å; P509-V552 HydrophobicContact CG-CG2 4.19Å; P509-K553 PolarHBondContact O-N 3.44Å
510	D	98.3	Very high	93.6	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.134	17%	0.17	C	C	.	.	S	Bend	trans	-70.3	-42.9	166.9	-64.2	-67	0	0	0	110	F444 K445 K553 K554 K555	F444-D510 HydrophobicContact CB-CB 4.31Å; F444-D510 HydrophobicContact CD1-CB 4.42Å; K445-D510 PolarHBondContact N-OD2 3.22Å; K445-D510 PolarHBondContact O-N 2.84Å; D510-K553 VanDerWaalsContact OD1-CD 3.32Å; D510-K553 WeakPolarHBondContact OD1-CD 3.26Å; D510-K554 HydrophobicContact CB-CD 4.43Å; D510-K554 HydrophobicContact CB-CG 4.47Å; D510-K554 WeakPolarHBondContact O-CA 3.35Å; D510-K554 WeakPolarHBondContact O-CB 3.41Å; D510-K554 PolarHBondContact O-N 2.97Å; D510-K555 PolarHBondContact O-N 2.99Å
511	Y	98.3	Very high	92.7	Very high	39 Å²	39	40.7 Å²	40.7	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.1	178.9	-65.3	-88.9	0	0	0	110.6	F444 K445 F446 L447 K554 K555 Y557	F444-Y511 HydrophobicContact CB-CD2 4.07Å; F444-Y511 HydrophobicContact CB-CE2 4.22Å; F444-Y511 HydrophobicContact CD1-CD2 4.46Å; F444-Y511 AromaticContact CD1-CE2 3.85Å; F444-Y511 HydrophobicContact CD1-CE2 3.85Å; F444-Y511 HydrophobicContact CD2-CD2 4.39Å; F444-Y511 AromaticContact CD2-CE2 3.84Å; F444-Y511 HydrophobicContact CD2-CE2 3.84Å; F444-Y511 HydrophobicContact CE1-CE2 4.23Å; F444-Y511 HydrophobicContact CE2-CE2 4.16Å; F444-Y511 HydrophobicContact CG-CD2 4.04Å; F444-Y511 AromaticContact CG-CE2 3.67Å; F444-Y511 HydrophobicContact CG-CE2 3.67Å; F444-Y511 HydrophobicContact CZ-CE2 4.35Å; K445-Y511 PolarHBondContact O-N 3.15Å; F446-Y511 WeakPolarHBondContact CA-O 3.4Å; F446-Y511 HydrophobicContact CD1-CD2 4.2Å; F446-Y511 HydrophobicContact CD1-CG 4.2Å; F446-Y511 AromaticContact CE1-CD2 3.59Å; F446-Y511 HydrophobicContact CE1-CD2 3.59Å; F446-Y511 HydrophobicContact CE1-CE2 4.44Å; F446-Y511 AromaticContact CE1-CG 3.78Å; F446-Y511 HydrophobicContact CE1-CG 3.78Å; F446-Y511 HydrophobicContact CZ-CD2 4.26Å; L447-Y511 PolarHBondContact N-O 3.19Å; Y511-K554 HydrophobicContact CD1-CB 4.36Å; Y511-K554 HydrophobicContact CD2-CD 4.45Å; Y511-K554 HydrophobicContact CE1-CB 4Å; Y511-K554 HydrophobicContact CE1-CD 4.42Å; Y511-K554 HydrophobicContact CE2-CB 4.36Å; Y511-K554 HydrophobicContact CE2-CD 3.6Å; Y511-K554 WeakPolarHBondContact OH-CD 3.43Å; Y511-K555 WeakPolarHBondContact CA-O 3.1Å; Y511-K555 HydrophobicContact CD1-CB 3.83Å; Y511-K555 HydrophobicContact CE1-CB 3.94Å; Y511-K555 HydrophobicContact CE1-CD 4.45Å; Y511-K555 HydrophobicContact CE1-CG 4.28Å; Y511-Y557 AromaticContact CD1-CE2 3.74Å; Y511-Y557 HydrophobicContact CD1-CE2 3.74Å; Y511-Y557 HydrophobicContact CE1-CE2 4.29Å
512	L	98.2	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.5	176.7	175.4	63.2	0	0	0	109.4	L447 I449 V504 P509 L514 M548 V552 K555 I556 Y557	L447-L512 HydrophobicContact CB-CD1 4.02Å; L447-L512 HydrophobicContact CD2-CD1 3.85Å; L447-L512 HydrophobicContact CG-CD1 3.78Å; L447-L512 WeakPolarHBondContact O-CA 3.32Å; I449-L512 HydrophobicContact CD1-CD1 3.96Å; I449-L512 HydrophobicContact CD1-CD2 4.45Å; I449-L512 HydrophobicContact CG1-CD1 3.93Å; I449-L512 HydrophobicContact CG2-CD1 4.34Å; V504-L512 HydrophobicContact CG1-CD2 4.07Å; V504-L512 HydrophobicContact CG2-CD1 3.89Å; V504-L512 HydrophobicContact CG2-CD2 3.86Å; P509-L512 HydrophobicContact CG-CB 4.18Å; L512-L514 HydrophobicContact CD1-CD1 4.15Å; L512-L514 HydrophobicContact CD2-CD1 3.63Å; L512-L514 HydrophobicContact CG-CD1 3.51Å; L512-M548 HydrophobicContact CD2-CB 4.16Å; L512-M548 HydrophobicContact CD2-SD 4.28Å; L512-V552 HydrophobicContact CB-CG1 4.12Å; L512-V552 HydrophobicContact CB-CG2 3.71Å; L512-V552 HydrophobicContact CD2-CG2 3.76Å; L512-V552 HydrophobicContact CG-CG2 4.37Å; L512-K555 PolarHBondContact N-O 3.25Å; L512-K555 VanDerWaalsContact N-O 3.09Å; L512-I556 HydrophobicContact CB-CG1 4.23Å; L512-I556 HydrophobicContact CB-CG2 4.41Å; L512-I556 HydrophobicContact CD2-CD1 4.19Å; L512-I556 HydrophobicContact CD2-CG1 4.37Å; L512-I556 HydrophobicContact CD2-CG2 4.3Å; L512-I556 HydrophobicContact CG-CG2 4.35Å; L512-I556 CarbonylContact O-C 3.14Å; L512-I556 VanDerWaalsContact O-CA 3.31Å; L512-I556 WeakPolarHBondContact O-CA 3.24Å; L512-Y557 PolarHBondContact O-N 3.37Å
513	F	97.3	Very high	90.5	Very high	26 Å²	26	41.4 Å²	41.4	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.3	175.8	-72.8	-100.4	0	0	0	109	F446 L447 L448 I449 F461 Y557 L559	F446-F513 HydrophobicContact CD1-CD2 4.31Å; F446-F513 AromaticContact CD1-CE2 3.64Å; F446-F513 HydrophobicContact CD1-CE2 3.64Å; F446-F513 AromaticContact CE1-CE2 3.98Å; F446-F513 HydrophobicContact CE1-CE2 3.98Å; L447-F513 PolarHBondContact O-N 3.39Å; L448-F513 HydrophobicContact CD1-CB 4Å; I449-F513 PolarHBondContact N-O 3.28Å; F461-F513 HydrophobicContact CD2-CD1 4.43Å; F461-F513 HydrophobicContact CD2-CG 4.44Å; F461-F513 HydrophobicContact CE2-CB 3.95Å; F461-F513 AromaticContact CE2-CD1 3.64Å; F461-F513 HydrophobicContact CE2-CD1 3.64Å; F461-F513 AromaticContact CE2-CD2 3.52Å; F461-F513 HydrophobicContact CE2-CD2 3.52Å; F461-F513 AromaticContact CE2-CE1 3.94Å; F461-F513 HydrophobicContact CE2-CE1 3.94Å; F461-F513 AromaticContact CE2-CE2 3.84Å; F461-F513 HydrophobicContact CE2-CE2 3.84Å; F461-F513 AromaticContact CE2-CG 3.41Å; F461-F513 HydrophobicContact CE2-CG 3.41Å; F461-F513 VanDerWaalsContact CE2-CG 3.41Å; F461-F513 HydrophobicContact CE2-CZ 4.02Å; F461-F513 HydrophobicContact CZ-CB 4.27Å; F461-F513 HydrophobicContact CZ-CD1 4.49Å; F461-F513 AromaticContact CZ-CD2 3.56Å; F461-F513 HydrophobicContact CZ-CD2 3.56Å; F461-F513 AromaticContact CZ-CE2 3.96Å; F461-F513 HydrophobicContact CZ-CE2 3.96Å; F461-F513 AromaticContact CZ-CG 3.86Å; F461-F513 HydrophobicContact CZ-CG 3.86Å; F513-Y557 WeakPolarHBondContact CA-O 3.4Å; F513-Y557 HydrophobicContact CD1-CD2 4.01Å; F513-Y557 HydrophobicContact CD1-CG 4.02Å; F513-Y557 HydrophobicContact CD2-CD2 4.33Å; F513-Y557 HydrophobicContact CE1-CD1 4.47Å; F513-Y557 AromaticContact CE1-CD2 3.47Å; F513-Y557 HydrophobicContact CE1-CD2 3.47Å; F513-Y557 VanDerWaalsContact CE1-CD2 3.47Å; F513-Y557 HydrophobicContact CE1-CE2 4.18Å; F513-Y557 AromaticContact CE1-CG 3.64Å; F513-Y557 HydrophobicContact CE1-CG 3.64Å; F513-Y557 AromaticContact CE2-CD2 3.8Å; F513-Y557 HydrophobicContact CE2-CD2 3.8Å; F513-Y557 HydrophobicContact CE2-CE2 4.27Å; F513-Y557 HydrophobicContact CG-CD2 4.42Å; F513-Y557 AromaticContact CZ-CD2 3.36Å; F513-Y557 HydrophobicContact CZ-CD2 3.36Å; F513-Y557 AromaticContact CZ-CE2 3.73Å; F513-Y557 HydrophobicContact CZ-CE2 3.73Å; F513-Y557 HydrophobicContact CZ-CG 4.04Å; F513-L559 HydrophobicContact CD1-CD1 3.95Å
514	L	95.5	Very high	89.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.5	170	-79.6	63.3	0	0	0	106.7	I449 P482 L483 L512 M548 I556 Y557 I558 L559	I449-L514 HydrophobicContact CD1-CD1 3.86Å; I449-L514 HydrophobicContact CD1-CG 3.94Å; I449-L514 HydrophobicContact CG1-CD1 3.89Å; I449-L514 HydrophobicContact CG1-CG 3.87Å; I449-L514 CarbonylContact O-C 3.38Å; I449-L514 WeakPolarHBondContact O-CA 3.35Å; P482-L514 HydrophobicContact CG-CB 4.37Å; P482-L514 HydrophobicContact CG-CD2 4.18Å; P482-L514 HydrophobicContact CG-CG 4.12Å; L483-L514 HydrophobicContact CD1-CD2 3.96Å; L483-L514 HydrophobicContact CD2-CD2 3.53Å; L483-L514 HydrophobicContact CG-CD2 3.71Å; L512-L514 HydrophobicContact CD1-CD1 4.15Å; L512-L514 HydrophobicContact CD2-CD1 3.63Å; L512-L514 HydrophobicContact CG-CD1 3.51Å; L514-M548 HydrophobicContact CD2-CE 4.13Å; L514-I556 HydrophobicContact CD1-CG2 3.82Å; L514-Y557 PolarHBondContact N-O 3.15Å; L514-I558 HydrophobicContact CB-CG2 4.49Å; L514-I558 HydrophobicContact CD2-CG1 4.33Å; L514-L559 PolarHBondContact O-N 3.18Å
515	M	92.8	Very high	88.4	Confident	18 Å²	18	50.5 Å²	50.5	9%	0.089	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102.2	179.9	-177.5	155	47.9	0	0	109.2	L448 I449 G450 A454 H457 F461	L448-M515 HydrophobicContact CD1-CB 3.74Å; L448-M515 HydrophobicContact CD1-CE 3.49Å; L448-M515 VanDerWaalsContact CD1-CE 3.49Å; L448-M515 HydrophobicContact CD2-CE 3.75Å; L448-M515 HydrophobicContact CG-CE 4.25Å; I449-M515 PolarHBondContact O-N 2.73Å; G450-M515 WeakPolarHBondContact CA-O 3.47Å; A454-M515 HydrophobicContact CB-CB 4.24Å; A454-M515 WeakPolarHBondContact CB-O 3.38Å; A454-M515 PolarHBondContact N-O 2.85Å; H457-M515 HydrophobicContact CB-CE 3.58Å; H457-M515 HydrophobicContact CB-SD 3.6Å; H457-M515 VanDerWaalsContact CB-SD 3.6Å; F461-M515 HydrophobicContact CB-CE 4.31Å
516	S	89.5	Confident	87.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.			trans	-144	136	-176	-144.2	0	0	0	0	109.6	N451 D481 M518 L559	N451-S516 PolarHBondContact N-OG 3.11Å; N451-S516 PolarHBondContact ND2-OG 3.27Å; D481-S516 WeakPolarHBondContact OD1-CB 3.39Å; D481-S516 PolarHBondContact OD1-OG 3.01Å; S516-M518 PolarHBondContact O-N 3.29Å; S516-L559 PolarHBondContact N-O 2.94Å
517	R	84.7	Confident	86.2	Confident	65 Å²	65	51.1 Å²	51.1	25%	0.245	28%	0.275	C	S	.	.			trans	-76.8	99.3	156.8	175.6	165.7	174.3	-148.8	-8	106.5	N451 W453 F519 S561 I565 D567	N451-R517 PolarHBondContact ND2-O 3.31Å; W453-R517 HydrophobicContact CG-CB 4.48Å; R517-F519 WeakPolarHBondContact O-CD1 3.38Å; R517-F519 PolarHBondContact O-N 2.81Å; R517-S561 WeakPolarHBondContact CB-OG 3.34Å; R517-S561 VanDerWaalsContact CG-OG 3.22Å; R517-S561 WeakPolarHBondContact CG-OG 3.38Å; R517-I565 PolarHBondContact NH2-O 3.13Å; R517-D567 IonicContact CZ-OD1 3.69Å; R517-D567 IonicContact NH1-OD1 3.83Å; R517-D567 IonicContact NH2-OD1 2.7Å; R517-D567 PolarHBondContact NH2-OD1 3.35Å; R517-D567 VanDerWaalsContact NH2-OD1 3.08Å
518	M	83.2	Confident	85.3	Confident	28 Å²	28	58.1 Å²	58.1	14%	0.138	31%	0.313	C	S	.	.			trans	-76.1	122.5	-176.8	-56.5	-179	-173.9	0	0	110	D481 L483 S516 I521 M541 I558	D481-M518 WeakPolarHBondContact OD1-CA 3.38Å; D481-M518 WeakPolarHBondContact OD2-CA 3.37Å; L483-M518 HydrophobicContact CD1-CE 3.9Å; S516-M518 PolarHBondContact O-N 3.29Å; M518-I521 HydrophobicContact CB-CD1 3.58Å; M518-I521 HydrophobicContact CB-CG1 3.6Å; M518-I521 HydrophobicContact CG-CD1 4.15Å; M518-I521 HydrophobicContact SD-CD1 3.48Å; M518-I521 WeakPolarHBondContact SD-CD1 3.47Å; M518-I521 HydrophobicContact SD-CG1 4.45Å; M518-M541 HydrophobicContact SD-CE 4.08Å; M518-I558 HydrophobicContact CE-CG2 3.81Å
519	F	77.7	Confident	84.2	Confident	76 Å²	76	53 Å²	53	33%	0.333	29%	0.292	S	S	.	.			trans	-121	-11.8	178.6	46	-100.5	0	0	0	112.9	N451 G479 D481 Y488 R517 I521	N451-F519 WeakPolarHBondContact ND2-CE1 3.3Å; G479-F519 WeakPolarHBondContact O-CZ 3.06Å; D481-F519 PolarHBondContact OD2-N 3.46Å; Y488-F519 AromaticContact CD1-CE2 3.75Å; Y488-F519 HydrophobicContact CD1-CE2 3.75Å; Y488-F519 HydrophobicContact CD1-CZ 4.19Å; Y488-F519 HydrophobicContact CD2-CE2 4.29Å; Y488-F519 HydrophobicContact CE1-CE2 4.49Å; Y488-F519 HydrophobicContact CG-CD2 4.28Å; Y488-F519 AromaticContact CG-CE2 3.62Å; Y488-F519 HydrophobicContact CG-CE2 3.62Å; Y488-F519 HydrophobicContact CG-CZ 4.43Å; R517-F519 WeakPolarHBondContact O-CD1 3.38Å; R517-F519 PolarHBondContact O-N 2.81Å; F519-I521 PolarHBondContact O-N 2.88Å
520	D	76.3	Confident	83	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.33	C	S	.	.	S	Bend	trans	-81.2	12.9	167.5	-84.2	-34.8	0	0	0	112	D481 V484 S485 H486 R487 Y488	D481-D520 PolarHBondContact OD2-N 2.9Å; V484-D520 HydrophobicContact CG1-CB 4.36Å; S485-D520 VanDerWaalsContact CA-OD2 3.3Å; S485-D520 WeakPolarHBondContact CA-OD2 3.31Å; S485-D520 PolarHBondContact OG-OD2 2.75Å; H486-D520 PolarHBondContact CE1-O 2.82Å; H486-D520 PolarHBondContact ND1-O 2.85Å; R487-D520 WeakPolarHBondContact CB-OD1 3.48Å; R487-D520 PolarHBondContact N-OD1 2.86Å; Y488-D520 PolarHBondContact N-OD1 3Å
521	I	78.9	Confident	82	Confident	60 Å²	60	62 Å²	62	31%	0.308	35%	0.347	S	S	.	.			trans	-133.8	167.1	175.7	71.2	172.3	0	0	0	110.9	V484 M518 F519 I537 M541	V484-I521 HydrophobicContact CG1-CG2 3.69Å; M518-I521 HydrophobicContact CB-CD1 3.58Å; M518-I521 HydrophobicContact CB-CG1 3.6Å; M518-I521 HydrophobicContact CG-CD1 4.15Å; M518-I521 HydrophobicContact SD-CD1 3.48Å; M518-I521 WeakPolarHBondContact SD-CD1 3.47Å; M518-I521 HydrophobicContact SD-CG1 4.45Å; F519-I521 PolarHBondContact O-N 2.88Å; I521-I537 HydrophobicContact CG2-CG2 3.92Å; I521-M541 HydrophobicContact CG2-SD 3.97Å
522	G	75.1	Confident	81	Confident	78 Å²	78	65.3 Å²	65.3	80%	0.804	37%	0.367	S	S	*	.			trans	107.7	-0.2	176.2	0	0	0	0	0	114.7
523	D	72.9	Confident	80	Confident	69 Å²	69	67.5 Å²	67.5	37%	0.369	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63	152.5	171	-67.7	-32.8	0	0	0	111.6	R487 I525	R487-D523 IonicContact CZ-OD1 2.82Å; R487-D523 IonicContact CZ-OD2 2.71Å; R487-D523 IonicContact NH1-OD1 3.81Å; R487-D523 IonicContact NH2-OD1 3.48Å; R487-D523 PolarHBondContact NH2-OD1 3.49Å; R487-D523 IonicContact NH2-OD2 3.68Å; R487-D523 PolarHBondContact NH2-OD2 2.89Å; D523-I525 PolarHBondContact O-N 3.1Å
524	P	74.2	Confident	79.2	Confident	117 Å²	117	74 Å²	74	76%	0.76	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-54.2	138.5	166.5	-21.9	32.5	0	0	0	110.6
525	I	74.5	Confident	78.7	Confident	90 Å²	90	74.9 Å²	74.9	46%	0.462	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-57.4	132	177.2	-52.3	177.1	0	0	0	108.7	D523 Q527 A529 D535	D523-I525 PolarHBondContact O-N 3.1Å; I525-Q527 PolarHBondContact O-N 3.07Å; I525-A529 HydrophobicContact CG2-CB 3.83Å; I525-A529 WeakPolarHBondContact CG2-O 3.21Å; I525-D535 HydrophobicContact CG2-CB 4.47Å
526	P	74.2	Confident	78.4	Confident	64 Å²	64	77.8 Å²	77.8	42%	0.416	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-52.9	142.1	178.7	-25.9	32.9	0	0	0	111.5	N528 A529	P526-N528 PolarHBondContact O-N 3.4Å; P526-A529 PolarHBondContact O-N 3.4Å
527	Q	76.7	Confident	78.3	Confident	190 Å²	190	79.5 Å²	79.5	89%	0.888	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.3	-178.3	-70.2	-176.7	-11.1	0	0	113.5	I525 A529	I525-Q527 PolarHBondContact O-N 3.07Å; Q527-A529 VanDerWaalsContact C-N 3.34Å
528	N	76.6	Confident	78.5	Confident	160 Å²	160	78 Å²	78	86%	0.856	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.7	-179.8	-62.2	0.4	0	0	0	113.7	P526	P526-N528 PolarHBondContact O-N 3.4Å
529	A	74.6	Confident	78.8	Confident	7 Å²	7	80.9 Å²	80.9	6%	0.058	46%	0.461	C	S	.	.			trans	-110.1	85.5	179.4	0	0	0	0	0	109.5	I525 P526 Q527 V531	I525-A529 HydrophobicContact CG2-CB 3.83Å; I525-A529 WeakPolarHBondContact CG2-O 3.21Å; P526-A529 PolarHBondContact O-N 3.4Å; Q527-A529 VanDerWaalsContact C-N 3.34Å; A529-V531 PolarHBondContact O-N 3.13Å
530	T	73.1	Confident	79.4	Confident	130 Å²	130	79.6 Å²	79.6	80%	0.798	46%	0.462	S	S	*	.	S	Bend	trans	-75.4	-11.7	177.6	51.2	0	0	0	0	113.5
531	V	77.8	Confident	80.2	Confident	83 Å²	83	81.5 Å²	81.5	50%	0.503	47%	0.471	S	S	.	.	S	Bend	trans	-128	135.9	179.9	-172.9	0	0	0	0	108.6	A529 G533 Y534	A529-V531 PolarHBondContact O-N 3.13Å; V531-G533 PolarHBondContact O-N 3.05Å; V531-Y534 HydrophobicContact CB-CD2 3.98Å; V531-Y534 HydrophobicContact CB-CE2 4.38Å; V531-Y534 HydrophobicContact CG2-CD2 4.49Å; V531-Y534 PolarHBondContact O-N 3.25Å
532	L	77.1	Confident	80.8	Confident	109 Å²	109	85.1 Å²	85.1	57%	0.571	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-51.6	-24.3	179.8	-174.2	65.6	0	0	0	114.1	Y534 D535 S538	L532-Y534 VanDerWaalsContact C-N 3.29Å; L532-Y534 PolarHBondContact O-N 3.45Å; L532-D535 PolarHBondContact O-N 2.92Å; L532-S538 WeakPolarHBondContact O-CB 3.46Å; L532-S538 PolarHBondContact O-OG 3.29Å; L532-S538 VanDerWaalsContact O-OG 3.06Å
533	G	77.4	Confident	81.7	Confident	47 Å²	47	86.2 Å²	86.2	49%	0.485	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-70.2	-19.1	176.4	0	0	0	0	0	115	V531 Q539	V531-G533 PolarHBondContact O-N 3.05Å; G533-Q539 PolarHBondContact O-NE2 2.77Å
534	Y	81.1	Confident	82.8	Confident	162 Å²	162	83.3 Å²	83.3	64%	0.635	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-100.1	-4.5	177	-64.3	-66.1	0	0	0	113.3	V531 L532 P536	V531-Y534 HydrophobicContact CB-CD2 3.98Å; V531-Y534 HydrophobicContact CB-CE2 4.38Å; V531-Y534 HydrophobicContact CG2-CD2 4.49Å; V531-Y534 PolarHBondContact O-N 3.25Å; L532-Y534 VanDerWaalsContact C-N 3.29Å; L532-Y534 PolarHBondContact O-N 3.45Å; Y534-P536 WeakPolarHBondContact O-CD 3.35Å
535	D	85.2	Confident	83.8	Confident	18 Å²	18	79.7 Å²	79.7	10%	0.096	43%	0.43	C	S	.	.			trans	-68.7	120.7	175.2	171.2	47.1	0	0	0	110.1	I525 L532 I537 S538 Q539	I525-D535 HydrophobicContact CG2-CB 4.47Å; L532-D535 PolarHBondContact O-N 2.92Å; D535-I537 PolarHBondContact O-N 3.44Å; D535-I537 WeakPolarHBondContact OD2-CB 3.3Å; D535-S538 WeakPolarHBondContact O-CB 3.4Å; D535-S538 PolarHBondContact O-N 2.84Å; D535-S538 VanDerWaalsContact OD2-CB 3.25Å; D535-S538 WeakPolarHBondContact OD2-CB 3.22Å; D535-S538 PolarHBondContact OD2-N 2.61Å; D535-Q539 WeakPolarHBondContact O-CG 3.04Å; D535-Q539 PolarHBondContact O-N 2.91Å
536	P	85.6	Confident	84.9	Confident	79 Å²	79	79.4 Å²	79.4	51%	0.513	43%	0.43	S	S	.	.	H	α-helix	trans	-59.1	-33.5	-178.9	-25.4	35.1	0	0	0	113.5	Y534 Q539 S540	Y534-P536 WeakPolarHBondContact O-CD 3.35Å; P536-Q539 PolarHBondContact O-N 2.69Å; P536-S540 WeakPolarHBondContact O-CB 3.31Å; P536-S540 PolarHBondContact O-N 3.07Å
537	I	87.8	Confident	85.9	Confident	36 Å²	36	80.6 Å²	80.6	19%	0.185	43%	0.429	C	S	.	.	H	α-helix	trans	-67.5	-51.9	179.1	-63.9	177.1	0	0	0	109.4	V484 I521 D535 Q539 S540 M541	V484-I537 HydrophobicContact CG1-CG2 4.32Å; V484-I537 HydrophobicContact CG2-CG2 4.3Å; I521-I537 HydrophobicContact CG2-CG2 3.92Å; D535-I537 PolarHBondContact O-N 3.44Å; D535-I537 WeakPolarHBondContact OD2-CB 3.3Å; I537-Q539 VanDerWaalsContact C-N 3.3Å; I537-Q539 PolarHBondContact O-N 3Å; I537-S540 WeakPolarHBondContact O-CB 3.35Å; I537-S540 PolarHBondContact O-N 3.4Å; I537-S540 VanDerWaalsContact O-N 3.11Å; I537-M541 HydrophobicContact CG2-CG 4.47Å; I537-M541 HydrophobicContact CG2-SD 4.11Å; I537-M541 WeakPolarHBondContact O-CG 3.36Å; I537-M541 PolarHBondContact O-N 2.85Å
538	S	89	Confident	86.9	Confident	33 Å²	33	71.5 Å²	71.5	23%	0.231	39%	0.386	C	S	.	.	H	α-helix	trans	-53.6	-43.1	173.7	175.8	0	0	0	0	112.7	L532 D535 M541 K542	L532-S538 WeakPolarHBondContact O-CB 3.46Å; L532-S538 PolarHBondContact O-OG 3.29Å; L532-S538 VanDerWaalsContact O-OG 3.06Å; D535-S538 WeakPolarHBondContact O-CB 3.4Å; D535-S538 PolarHBondContact O-N 2.84Å; D535-S538 VanDerWaalsContact OD2-CB 3.25Å; D535-S538 WeakPolarHBondContact OD2-CB 3.22Å; D535-S538 PolarHBondContact OD2-N 2.61Å; S538-M541 PolarHBondContact O-N 3.11Å; S538-K542 WeakPolarHBondContact O-CB 3.46Å; S538-K542 PolarHBondContact O-N 3.22Å
539	Q	89.5	Confident	87.9	Confident	89 Å²	89	67.1 Å²	67.1	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-64.8	-43.4	175.8	-71.5	-177.4	-1.6	0	0	112.5	G533 D535 P536 I537 K542 N543	G533-Q539 PolarHBondContact O-NE2 2.77Å; D535-Q539 WeakPolarHBondContact O-CG 3.04Å; D535-Q539 PolarHBondContact O-N 2.91Å; P536-Q539 PolarHBondContact O-N 2.69Å; I537-Q539 VanDerWaalsContact C-N 3.3Å; I537-Q539 PolarHBondContact O-N 3Å; Q539-K542 PolarHBondContact O-N 3.25Å; Q539-N543 WeakPolarHBondContact O-CB 3.42Å; Q539-N543 VanDerWaalsContact O-CG 3.24Å; Q539-N543 PolarHBondContact O-N 3.43Å; Q539-N543 PolarHBondContact O-ND2 2.95Å
540	S	90.3	Very high	88.9	Confident	50 Å²	50	73.2 Å²	73.2	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-48.2	176.5	-169.9	0	0	0	0	111.3	P536 I537 K542 N543 Q544	P536-S540 WeakPolarHBondContact O-CB 3.31Å; P536-S540 PolarHBondContact O-N 3.07Å; I537-S540 WeakPolarHBondContact O-CB 3.35Å; I537-S540 PolarHBondContact O-N 3.4Å; I537-S540 VanDerWaalsContact O-N 3.11Å; S540-K542 VanDerWaalsContact C-N 3.33Å; S540-K542 PolarHBondContact O-N 3.29Å; S540-N543 PolarHBondContact O-N 2.63Å; S540-Q544 WeakPolarHBondContact O-CB 3.42Å; S540-Q544 PolarHBondContact O-N 2.77Å
541	M	92.3	Very high	90	Very high	40 Å²	40	68.4 Å²	68.4	20%	0.197	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-43.4	176.2	-66.7	177.4	75.8	0	0	112	L483 V484 M518 I521 I537 S538 Q544 L545	L483-M541 HydrophobicContact CB-CB 4.18Å; L483-M541 HydrophobicContact CB-CE 3.99Å; L483-M541 HydrophobicContact CB-CG 3.94Å; L483-M541 HydrophobicContact CD1-CE 3.57Å; L483-M541 HydrophobicContact CG-CE 4.44Å; L483-M541 WeakPolarHBondContact O-CA 3.3Å; V484-M541 HydrophobicContact CB-CG 3.82Å; V484-M541 HydrophobicContact CG1-CG 3.9Å; V484-M541 HydrophobicContact CG1-SD 4.3Å; M518-M541 HydrophobicContact SD-CE 4.08Å; I521-M541 HydrophobicContact CG2-SD 3.97Å; I537-M541 HydrophobicContact CG2-CG 4.47Å; I537-M541 HydrophobicContact CG2-SD 4.11Å; I537-M541 WeakPolarHBondContact O-CG 3.36Å; I537-M541 PolarHBondContact O-N 2.85Å; S538-M541 PolarHBondContact O-N 3.11Å; M541-Q544 PolarHBondContact O-N 3.35Å; M541-L545 VanDerWaalsContact O-CB 3.23Å; M541-L545 WeakPolarHBondContact O-CB 3.45Å; M541-L545 PolarHBondContact O-N 3.05Å
542	K	92.7	Very high	91	Very high	137 Å²	137	65.5 Å²	65.5	60%	0.596	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-44.6	177.4	-175	179.3	-179.6	-179.4	0	111.8	S538 Q539 S540 Q544 L545 N546	S538-K542 WeakPolarHBondContact O-CB 3.46Å; S538-K542 PolarHBondContact O-N 3.22Å; Q539-K542 PolarHBondContact O-N 3.25Å; S540-K542 VanDerWaalsContact C-N 3.33Å; S540-K542 PolarHBondContact O-N 3.29Å; K542-Q544 VanDerWaalsContact C-N 3.34Å; K542-L545 PolarHBondContact O-N 3.28Å; K542-N546 WeakPolarHBondContact O-CB 3.39Å; K542-N546 PolarHBondContact O-N 2.85Å; K542-N546 PolarHBondContact O-ND2 2.73Å
543	N	93.9	Very high	92	Very high	100 Å²	100	67.2 Å²	67.2	54%	0.535	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-44.8	178	-73	-20.6	0	0	0	111.2	Q539 S540 N546 K547	Q539-N543 WeakPolarHBondContact O-CB 3.42Å; Q539-N543 VanDerWaalsContact O-CG 3.24Å; Q539-N543 PolarHBondContact O-N 3.43Å; Q539-N543 PolarHBondContact O-ND2 2.95Å; S540-N543 PolarHBondContact O-N 2.63Å; N543-N546 PolarHBondContact O-N 2.83Å; N543-K547 PolarHBondContact O-N 3.09Å
544	Q	95.3	Very high	92.9	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-43.2	177.7	-176.9	60.1	5.4	0	0	112	P482 L483 L497 S540 M541 K542 N546 K547 M548	P482-Q544 VanDerWaalsContact O-CG 3.31Å; P482-Q544 WeakPolarHBondContact O-CG 3.48Å; P482-Q544 PolarHBondContact O-NE2 2.77Å; L483-Q544 WeakPolarHBondContact O-CB 3.43Å; L497-Q544 HydrophobicContact CD2-CG 4.42Å; L497-Q544 PolarHBondContact O-NE2 3.04Å; S540-Q544 WeakPolarHBondContact O-CB 3.42Å; S540-Q544 PolarHBondContact O-N 2.77Å; M541-Q544 PolarHBondContact O-N 3.35Å; K542-Q544 VanDerWaalsContact C-N 3.34Å; Q544-N546 VanDerWaalsContact C-N 3.33Å; Q544-N546 PolarHBondContact O-N 2.82Å; Q544-K547 WeakPolarHBondContact O-CB 3.48Å; Q544-K547 PolarHBondContact O-N 2.82Å; Q544-M548 HydrophobicContact CG-CE 4.36Å; Q544-M548 PolarHBondContact O-N 3.27Å
545	L	95.9	Very high	93.7	Very high	41 Å²	41	68.4 Å²	68.4	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-42.5	174.3	-175.7	62	0	0	0	111.5	L483 M541 K542 K547 M548 V549 I556 I558	L483-L545 HydrophobicContact CD2-CB 4.13Å; L483-L545 HydrophobicContact CD2-CD1 4.34Å; M541-L545 VanDerWaalsContact O-CB 3.23Å; M541-L545 WeakPolarHBondContact O-CB 3.45Å; M541-L545 PolarHBondContact O-N 3.05Å; K542-L545 PolarHBondContact O-N 3.28Å; L545-K547 VanDerWaalsContact C-N 3.29Å; L545-K547 PolarHBondContact O-N 3.33Å; L545-M548 HydrophobicContact CD1-CE 4.48Å; L545-M548 PolarHBondContact O-N 2.84Å; L545-V549 HydrophobicContact CD1-CG2 4.12Å; L545-V549 HydrophobicContact CG-CG2 3.87Å; L545-V549 WeakPolarHBondContact O-CG2 3.31Å; L545-V549 PolarHBondContact O-N 2.88Å; L545-I556 HydrophobicContact CD1-CD1 3.87Å; L545-I556 HydrophobicContact CD1-CG2 4.37Å; L545-I558 HydrophobicContact CD1-CD1 4.42Å; L545-I558 HydrophobicContact CD2-CD1 4.25Å
546	N	96.4	Very high	94.3	Very high	85 Å²	85	69.7 Å²	69.7	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-35.1	177.3	-73.7	-25.2	0	0	0	112.9	K542 N543 Q544 M548	K542-N546 WeakPolarHBondContact O-CB 3.39Å; K542-N546 PolarHBondContact O-N 2.85Å; K542-N546 PolarHBondContact O-ND2 2.73Å; N543-N546 PolarHBondContact O-N 2.83Å; Q544-N546 VanDerWaalsContact C-N 3.33Å; Q544-N546 PolarHBondContact O-N 2.82Å; N546-M548 PolarHBondContact O-N 3.49Å
547	K	96.2	Very high	94.8	Very high	88 Å²	88	70.3 Å²	70.3	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-35.1	173.1	-66.4	-176.3	-173.5	169.1	0	111.5	D498 A501 N543 Q544 L545 K550 H551	D498-K547 IonicContact OD1-NZ 2.61Å; D498-K547 PolarHBondContact OD1-NZ 2.93Å; A501-K547 HydrophobicContact CB-CB 4.23Å; A501-K547 HydrophobicContact CB-CD 4.32Å; N543-K547 PolarHBondContact O-N 3.09Å; Q544-K547 WeakPolarHBondContact O-CB 3.48Å; Q544-K547 PolarHBondContact O-N 2.82Å; L545-K547 VanDerWaalsContact C-N 3.29Å; L545-K547 PolarHBondContact O-N 3.33Å; K547-K550 WeakPolarHBondContact O-CE 3.47Å; K547-K550 VanDerWaalsContact O-CG 3.3Å; K547-K550 WeakPolarHBondContact O-CG 3.32Å; K547-H551 PolarHBondContact O-CD2 3.1Å
548	M	97.2	Very high	95	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-85.8	-41.9	-179	-67	-175.2	-73.8	0	0	112.8	I449 L483 A501 V504 L512 L514 Q544 L545 N546 K550 H551	I449-M548 HydrophobicContact CD1-SD 3.59Å; I449-M548 VanDerWaalsContact CD1-SD 3.59Å; L483-M548 HydrophobicContact CD2-CE 3.71Å; A501-M548 HydrophobicContact CB-CG 4.4Å; V504-M548 HydrophobicContact CB-CB 4.34Å; V504-M548 HydrophobicContact CB-CG 4.11Å; V504-M548 HydrophobicContact CG1-CB 4.05Å; V504-M548 HydrophobicContact CG1-CG 4.37Å; V504-M548 HydrophobicContact CG2-CB 4.32Å; V504-M548 HydrophobicContact CG2-CG 3.9Å; V504-M548 HydrophobicContact CG2-SD 3.79Å; L512-M548 HydrophobicContact CD2-CB 4.16Å; L512-M548 HydrophobicContact CD2-SD 4.28Å; L514-M548 HydrophobicContact CD2-CE 4.13Å; Q544-M548 HydrophobicContact CG-CE 4.36Å; Q544-M548 PolarHBondContact O-N 3.27Å; L545-M548 HydrophobicContact CD1-CE 4.48Å; L545-M548 PolarHBondContact O-N 2.84Å; N546-M548 PolarHBondContact O-N 3.49Å; M548-K550 VanDerWaalsContact C-N 3.27Å; M548-K550 PolarHBondContact O-N 2.87Å; M548-H551 PolarHBondContact O-N 3.49Å
549	V	96.6	Very high	95.1	Very high	67 Å²	67	74.4 Å²	74.4	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-52.3	-42.2	-175.3	168	0	0	0	0	112.8	L545 H551 V552 I556	L545-V549 HydrophobicContact CD1-CG2 4.12Å; L545-V549 HydrophobicContact CG-CG2 3.87Å; L545-V549 WeakPolarHBondContact O-CG2 3.31Å; L545-V549 PolarHBondContact O-N 2.88Å; V549-H551 PolarHBondContact O-N 3.4Å; V549-V552 PolarHBondContact O-N 2.85Å; V549-V552 VanDerWaalsContact O-N 3.1Å; V549-I556 HydrophobicContact CB-CD1 4.24Å; V549-I556 HydrophobicContact CG2-CD1 3.4Å
550	K	95.7	Very high	94.8	Very high	136 Å²	136	74.1 Å²	74.1	59%	0.591	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.9	179.5	55.5	165.4	174	146.1	0	114.3	K547 M548	K547-K550 WeakPolarHBondContact O-CE 3.47Å; K547-K550 VanDerWaalsContact O-CG 3.3Å; K547-K550 WeakPolarHBondContact O-CG 3.32Å; M548-K550 VanDerWaalsContact C-N 3.27Å; M548-K550 PolarHBondContact O-N 2.87Å
551	H	97.8	Very high	94.1	Very high	29 Å²	29	72.4 Å²	72.4	13%	0.134	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-3.5	-178.1	-59.9	-57.7	0	0	0	113.5	V504 E505 K508 K547 M548 V549	V504-H551 HydrophobicContact CG1-CB 4.11Å; E505-H551 IonicContact OE1-CE1 3.6Å; E505-H551 IonicContact OE1-NE2 3.71Å; E505-H551 IonicContact OE2-NE2 3.79Å; K508-H551 CarbonylContact C-O 3.58Å; K508-H551 VanDerWaalsContact CA-O 3.27Å; K508-H551 WeakPolarHBondContact CA-O 3.49Å; K547-H551 PolarHBondContact O-CD2 3.1Å; M548-H551 PolarHBondContact O-N 3.49Å; V549-H551 PolarHBondContact O-N 3.4Å
552	V	98	Very high	92.8	Very high	21 Å²	21	78 Å²	78	13%	0.127	38%	0.379	C	S	.	.			trans	-98.1	129	178.7	-176.3	0	0	0	0	110	V504 P509 L512 V549 K555 I556	V504-V552 HydrophobicContact CG1-CG2 3.93Å; P509-V552 HydrophobicContact CG-CG2 4.19Å; L512-V552 HydrophobicContact CB-CG1 4.12Å; L512-V552 HydrophobicContact CB-CG2 3.71Å; L512-V552 HydrophobicContact CD2-CG2 3.76Å; L512-V552 HydrophobicContact CG-CG2 4.37Å; V549-V552 PolarHBondContact O-N 2.85Å; V549-V552 VanDerWaalsContact O-N 3.1Å; V552-K555 WeakPolarHBondContact CG1-O 3.25Å; V552-I556 HydrophobicContact CB-CD1 4.48Å; V552-I556 HydrophobicContact CB-CG1 4.2Å; V552-I556 HydrophobicContact CG1-CG1 4.03Å; V552-I556 HydrophobicContact CG2-CD1 4.1Å; V552-I556 HydrophobicContact CG2-CG1 4.06Å
553	K	97.3	Very high	91.5	Very high	145 Å²	145	74.3 Å²	74.3	63%	0.63	37%	0.369	S	S	*	.	S	Bend	trans	-83.1	-29.5	-170.8	-57	172.1	-178.8	172.9	0	114.6	P509 D510	P509-K553 PolarHBondContact O-N 3.44Å; D510-K553 VanDerWaalsContact OD1-CD 3.32Å; D510-K553 WeakPolarHBondContact OD1-CD 3.26Å
554	K	97.4	Very high	90.2	Very high	108 Å²	108	73.4 Å²	73.4	47%	0.47	38%	0.375	S	S	.	.	S	Bend	trans	-122.8	-71.4	-174.8	-59.5	-171.5	170.3	-163.5	0	113.5	D510 Y511	D510-K554 HydrophobicContact CB-CD 4.43Å; D510-K554 HydrophobicContact CB-CG 4.47Å; D510-K554 WeakPolarHBondContact O-CA 3.35Å; D510-K554 WeakPolarHBondContact O-CB 3.41Å; D510-K554 PolarHBondContact O-N 2.97Å; Y511-K554 HydrophobicContact CD1-CB 4.36Å; Y511-K554 HydrophobicContact CD2-CD 4.45Å; Y511-K554 HydrophobicContact CE1-CB 4Å; Y511-K554 HydrophobicContact CE1-CD 4.42Å; Y511-K554 HydrophobicContact CE2-CB 4.36Å; Y511-K554 HydrophobicContact CE2-CD 3.6Å; Y511-K554 WeakPolarHBondContact OH-CD 3.43Å
555	K	97.3	Very high	88.8	Confident	127 Å²	127	76.3 Å²	76.3	55%	0.552	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.5	-173.1	-67.5	-172	178.7	-177.3	0	112.4	D510 Y511 L512 V552 Y557	D510-K555 PolarHBondContact O-N 2.99Å; Y511-K555 WeakPolarHBondContact CA-O 3.1Å; Y511-K555 HydrophobicContact CD1-CB 3.83Å; Y511-K555 HydrophobicContact CE1-CB 3.94Å; Y511-K555 HydrophobicContact CE1-CD 4.45Å; Y511-K555 HydrophobicContact CE1-CG 4.28Å; L512-K555 PolarHBondContact N-O 3.25Å; L512-K555 VanDerWaalsContact N-O 3.09Å; V552-K555 WeakPolarHBondContact CG1-O 3.25Å; K555-Y557 HydrophobicContact CB-CE2 4.31Å
556	I	97.4	Very high	87.5	Confident	44 Å²	44	79.2 Å²	79.2	23%	0.226	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.8	169.9	-54.2	-175.9	0	0	0	108.1	L512 L514 L545 V549 V552 I558	L512-I556 HydrophobicContact CB-CG1 4.23Å; L512-I556 HydrophobicContact CB-CG2 4.41Å; L512-I556 HydrophobicContact CD2-CD1 4.19Å; L512-I556 HydrophobicContact CD2-CG1 4.37Å; L512-I556 HydrophobicContact CD2-CG2 4.3Å; L512-I556 HydrophobicContact CG-CG2 4.35Å; L512-I556 CarbonylContact O-C 3.14Å; L512-I556 VanDerWaalsContact O-CA 3.31Å; L512-I556 WeakPolarHBondContact O-CA 3.24Å; L514-I556 HydrophobicContact CD1-CG2 3.82Å; L545-I556 HydrophobicContact CD1-CD1 3.87Å; L545-I556 HydrophobicContact CD1-CG2 4.37Å; V549-I556 HydrophobicContact CB-CD1 4.24Å; V549-I556 HydrophobicContact CG2-CD1 3.4Å; V552-I556 HydrophobicContact CB-CD1 4.48Å; V552-I556 HydrophobicContact CB-CG1 4.2Å; V552-I556 HydrophobicContact CG1-CG1 4.03Å; V552-I556 HydrophobicContact CG2-CD1 4.1Å; V552-I556 HydrophobicContact CG2-CG1 4.06Å; I556-I558 HydrophobicContact CG2-CG1 4.21Å
557	Y	96	Very high	86	Confident	92 Å²	92	80.4 Å²	80.4	36%	0.361	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.2	169.9	-66	-84.7	0	0	0	108.5	Y511 L512 F513 L514 K555	Y511-Y557 AromaticContact CD1-CE2 3.74Å; Y511-Y557 HydrophobicContact CD1-CE2 3.74Å; Y511-Y557 HydrophobicContact CE1-CE2 4.29Å; L512-Y557 PolarHBondContact O-N 3.37Å; F513-Y557 WeakPolarHBondContact CA-O 3.4Å; F513-Y557 HydrophobicContact CD1-CD2 4.01Å; F513-Y557 HydrophobicContact CD1-CG 4.02Å; F513-Y557 HydrophobicContact CD2-CD2 4.33Å; F513-Y557 HydrophobicContact CE1-CD1 4.47Å; F513-Y557 AromaticContact CE1-CD2 3.47Å; F513-Y557 HydrophobicContact CE1-CD2 3.47Å; F513-Y557 VanDerWaalsContact CE1-CD2 3.47Å; F513-Y557 HydrophobicContact CE1-CE2 4.18Å; F513-Y557 AromaticContact CE1-CG 3.64Å; F513-Y557 HydrophobicContact CE1-CG 3.64Å; F513-Y557 AromaticContact CE2-CD2 3.8Å; F513-Y557 HydrophobicContact CE2-CD2 3.8Å; F513-Y557 HydrophobicContact CE2-CE2 4.27Å; F513-Y557 HydrophobicContact CG-CD2 4.42Å; F513-Y557 AromaticContact CZ-CD2 3.36Å; F513-Y557 HydrophobicContact CZ-CD2 3.36Å; F513-Y557 AromaticContact CZ-CE2 3.73Å; F513-Y557 HydrophobicContact CZ-CE2 3.73Å; F513-Y557 HydrophobicContact CZ-CG 4.04Å; L514-Y557 PolarHBondContact N-O 3.15Å; K555-Y557 HydrophobicContact CB-CE2 4.31Å
558	I	93.1	Very high	84.4	Confident	85 Å²	85	78.7 Å²	78.7	44%	0.436	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.8	174	-54	178	0	0	0	106.4	L483 L514 M518 L545 I556	L483-I558 HydrophobicContact CD1-CD1 4.39Å; L483-I558 HydrophobicContact CD1-CG2 4.46Å; L514-I558 HydrophobicContact CB-CG2 4.49Å; L514-I558 HydrophobicContact CD2-CG1 4.33Å; M518-I558 HydrophobicContact CE-CG2 3.81Å; L545-I558 HydrophobicContact CD1-CD1 4.42Å; L545-I558 HydrophobicContact CD2-CD1 4.25Å; I556-I558 HydrophobicContact CG2-CG1 4.21Å
559	L	90	Very high	83.2	Confident	71 Å²	71	81.3 Å²	81.3	37%	0.372	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.6	-175.5	-55.8	178.4	0	0	0	108.7	F513 L514 S516	F513-L559 HydrophobicContact CD1-CD1 3.95Å; L514-L559 PolarHBondContact O-N 3.18Å; S516-L559 PolarHBondContact N-O 2.94Å
560	T	83.7	Confident	82	Confident	83 Å²	83	80.2 Å²	80.2	51%	0.509	42%	0.424	S	S	.	.			trans	-114.6	159.4	174.2	-168.7	0	0	0	0	110
561	S	76.1	Confident	80.6	Confident	14 Å²	14	78 Å²	78	10%	0.098	43%	0.432	C	S	.	.			trans	-75.9	135.5	171.6	59.4	0	0	0	0	110.7	R517	R517-S561 WeakPolarHBondContact CB-OG 3.34Å; R517-S561 VanDerWaalsContact CG-OG 3.22Å; R517-S561 WeakPolarHBondContact CG-OG 3.38Å
562	L	64.9	Low	79.5	Confident	157 Å²	157	81.5 Å²	81.5	82%	0.822	45%	0.446	S	S	*	.	S	Bend	trans	-123.3	134.9	164.5	-68.8	171.9	0	0	0	108.2
563	P	64.5	Low	78.5	Confident	59 Å²	59	82.6 Å²	82.6	38%	0.383	45%	0.451	S	S	.	.	S	Bend	cis	-75.7	162.2	-3.2	31.4	-34.7	0	0	0	113.1	I565	P563-I565 HydrophobicContact CG-CG1 4.42Å; P563-I565 PolarHBondContact O-N 2.95Å; P563-I565 VanDerWaalsContact O-N 3.12Å
564	A	66.8	Low	77.4	Confident	82 Å²	82	76.5 Å²	76.5	68%	0.678	43%	0.426	S	S	*	.			trans	-74.5	98.4	166.5	0	0	0	0	0	108.1
565	I	66.3	Low	76.3	Confident	68 Å²	68	77.7 Å²	77.7	35%	0.349	43%	0.433	S	S	.	.			trans	-68.9	138.5	-176.3	-56.3	169	0	0	0	110	R517 P563 I570	R517-I565 PolarHBondContact NH2-O 3.13Å; P563-I565 HydrophobicContact CG-CG1 4.42Å; P563-I565 PolarHBondContact O-N 2.95Å; P563-I565 VanDerWaalsContact O-N 3.12Å; I565-I570 HydrophobicContact CG2-CD1 3.52Å; I565-I570 HydrophobicContact CG2-CG1 3.3Å
566	I	68.6	Low	75.4	Confident	103 Å²	103	74.3 Å²	74.3	53%	0.528	42%	0.418	S	S	.	.			trans	-91.1	112.1	164.5	-61	171.7	0	0	0	107.1	G568 N569 I570	I566-G568 PolarHBondContact O-N 2.99Å; I566-G568 VanDerWaalsContact O-N 3.15Å; I566-N569 HydrophobicContact CB-CB 4.1Å; I566-N569 HydrophobicContact CG2-CB 4.34Å; I566-N569 WeakPolarHBondContact O-CA 2.99Å; I566-N569 WeakPolarHBondContact O-CB 3.16Å; I566-N569 PolarHBondContact O-N 3.46Å; I566-I570 PolarHBondContact O-N 3.21Å
567	D	64.3	Low	74.7	Confident	110 Å²	110	75.2 Å²	75.2	59%	0.588	42%	0.423	S	S	*	.	H	α-helix	trans	-55.4	-39.2	-172.5	-66.2	-9.7	0	0	0	112.8	R517 N569 I570	R517-D567 IonicContact CZ-OD1 3.69Å; R517-D567 IonicContact NH1-OD1 3.83Å; R517-D567 IonicContact NH2-OD1 2.7Å; R517-D567 PolarHBondContact NH2-OD1 3.35Å; R517-D567 VanDerWaalsContact NH2-OD1 3.08Å; D567-N569 PolarHBondContact O-N 3.34Å; D567-I570 WeakPolarHBondContact O-CB 3.41Å; D567-I570 PolarHBondContact O-N 3.17Å
568	G	64.4	Low	73.8	Confident	52 Å²	52	75.7 Å²	75.7	54%	0.536	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-16.4	176.4	0	0	0	0	0	114.9	I566	I566-G568 PolarHBondContact O-N 2.99Å; I566-G568 VanDerWaalsContact O-N 3.15Å
569	N	71.3	Confident	73.2	Confident	54 Å²	54	75.8 Å²	75.8	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-89.2	-23.6	176.1	-74.2	-8.1	0	0	0	112.1	I566 D567 A571 K572 I573 F586	I566-N569 HydrophobicContact CB-CB 4.1Å; I566-N569 HydrophobicContact CG2-CB 4.34Å; I566-N569 WeakPolarHBondContact O-CA 2.99Å; I566-N569 WeakPolarHBondContact O-CB 3.16Å; I566-N569 PolarHBondContact O-N 3.46Å; D567-N569 PolarHBondContact O-N 3.34Å; N569-A571 VanDerWaalsContact C-N 3.28Å; N569-A571 PolarHBondContact O-N 2.91Å; N569-K572 WeakPolarHBondContact O-CA 3.27Å; N569-K572 WeakPolarHBondContact O-CB 3.21Å; N569-K572 PolarHBondContact O-N 3.41Å; N569-I573 PolarHBondContact O-N 2.89Å; N569-F586 HydrophobicContact CB-CE2 3.56Å; N569-F586 HydrophobicContact CB-CZ 3.85Å; N569-F586 VanDerWaalsContact O-CE2 3.28Å; N569-F586 WeakPolarHBondContact O-CE2 3.3Å
570	I	71.7	Confident	72.7	Confident	44 Å²	44	75.6 Å²	75.6	23%	0.226	45%	0.448	C	S	.	.	H	α-helix	trans	-54.8	-45.8	179.8	-60.2	175.8	0	0	0	111.1	H404 I565 I566 D567 K572 I573	H404-I570 WeakPolarHBondContact NE2-CG2 3.25Å; I565-I570 HydrophobicContact CG2-CD1 3.52Å; I565-I570 HydrophobicContact CG2-CG1 3.3Å; I566-I570 PolarHBondContact O-N 3.21Å; D567-I570 WeakPolarHBondContact O-CB 3.41Å; D567-I570 PolarHBondContact O-N 3.17Å; I570-K572 PolarHBondContact O-N 3.43Å; I570-K572 VanDerWaalsContact O-N 3.09Å; I570-I573 HydrophobicContact CB-CD1 4.49Å; I570-I573 HydrophobicContact CG2-CD1 4.3Å; I570-I573 WeakPolarHBondContact O-CB 3.45Å; I570-I573 WeakPolarHBondContact O-CG1 3.32Å; I570-I573 PolarHBondContact O-N 3.32Å; I570-I573 VanDerWaalsContact O-N 3.14Å
571	A	66.7	Low	72.4	Confident	91 Å²	91	73.4 Å²	73.4	75%	0.752	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.3	179	0	0	0	0	0	113.5	N569	N569-A571 VanDerWaalsContact C-N 3.28Å; N569-A571 PolarHBondContact O-N 2.91Å
572	K	73.1	Confident	72.6	Confident	102 Å²	102	77.7 Å²	77.7	44%	0.443	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.3	-179.1	-57.8	177.7	-176.4	171.3	0	113.3	N569 I570 V574 E575 K576	N569-K572 WeakPolarHBondContact O-CA 3.27Å; N569-K572 WeakPolarHBondContact O-CB 3.21Å; N569-K572 PolarHBondContact O-N 3.41Å; I570-K572 PolarHBondContact O-N 3.43Å; I570-K572 VanDerWaalsContact O-N 3.09Å; K572-V574 VanDerWaalsContact C-N 3.35Å; K572-V574 PolarHBondContact O-N 3.36Å; K572-E575 PolarHBondContact O-N 2.84Å; K572-K576 WeakPolarHBondContact O-CB 3.44Å; K572-K576 PolarHBondContact O-N 3.25Å
573	I	77.8	Confident	73.1	Confident	44 Å²	44	72.2 Å²	72.2	23%	0.226	43%	0.431	C	S	.	.	H	α-helix	trans	-55.3	-51.5	-177.4	-70.4	171.7	0	0	0	110.6	N569 I570 E575 K576 L577 M583 F586	N569-I573 PolarHBondContact O-N 2.89Å; I570-I573 HydrophobicContact CB-CD1 4.49Å; I570-I573 HydrophobicContact CG2-CD1 4.3Å; I570-I573 WeakPolarHBondContact O-CB 3.45Å; I570-I573 WeakPolarHBondContact O-CG1 3.32Å; I570-I573 PolarHBondContact O-N 3.32Å; I570-I573 VanDerWaalsContact O-N 3.14Å; I573-E575 VanDerWaalsContact C-N 3.34Å; I573-E575 PolarHBondContact O-N 3.22Å; I573-K576 PolarHBondContact O-N 3.46Å; I573-L577 HydrophobicContact CG2-CD1 3.78Å; I573-L577 HydrophobicContact CG2-CG 4.34Å; I573-L577 WeakPolarHBondContact O-CB 3.23Å; I573-L577 WeakPolarHBondContact O-CG 3.38Å; I573-L577 PolarHBondContact O-N 3.33Å; I573-M583 HydrophobicContact CG2-CE 4.05Å; I573-F586 HydrophobicContact CB-CE2 4.5Å; I573-F586 HydrophobicContact CB-CZ 4.49Å; I573-F586 HydrophobicContact CD1-CD1 4.43Å; I573-F586 HydrophobicContact CD1-CE1 3.48Å; I573-F586 VanDerWaalsContact CD1-CE1 3.48Å; I573-F586 HydrophobicContact CD1-CE2 4.15Å; I573-F586 HydrophobicContact CD1-CZ 3.34Å; I573-F586 HydrophobicContact CG1-CD1 4.21Å; I573-F586 HydrophobicContact CG1-CD2 4.08Å; I573-F586 HydrophobicContact CG1-CE1 3.52Å; I573-F586 HydrophobicContact CG1-CE2 3.31Å; I573-F586 HydrophobicContact CG1-CG 4.49Å; I573-F586 HydrophobicContact CG1-CZ 3.04Å
574	V	75.2	Confident	73.7	Confident	16 Å²	16	74 Å²	74	10%	0.097	44%	0.437	C	S	.	.	H	α-helix	trans	-69.9	-35.1	-174.6	-179.4	0	0	0	0	111.5	Y397 E401 K572 R578	Y397-V574 HydrophobicContact CD1-CG1 3.92Å; Y397-V574 HydrophobicContact CG-CG1 4.15Å; E401-V574 HydrophobicContact CG-CB 3.87Å; E401-V574 HydrophobicContact CG-CG1 3.74Å; E401-V574 HydrophobicContact CG-CG2 3.62Å; E401-V574 WeakPolarHBondContact OE1-CB 3.41Å; E401-V574 WeakPolarHBondContact OE1-CG1 3.22Å; K572-V574 VanDerWaalsContact C-N 3.35Å; K572-V574 PolarHBondContact O-N 3.36Å; V574-R578 HydrophobicContact CG1-CG 4.45Å; V574-R578 WeakPolarHBondContact O-CB 3.43Å; V574-R578 VanDerWaalsContact O-CG 3.3Å; V574-R578 WeakPolarHBondContact O-CG 3.49Å; V574-R578 PolarHBondContact O-N 2.89Å
575	E	73.4	Confident	73.6	Confident	133 Å²	133	76.3 Å²	76.3	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-61.5	-49.1	171.7	-173.8	-174.6	173.7	0	0	111.5	K572 I573 L577 R578 S579	K572-E575 PolarHBondContact O-N 2.84Å; I573-E575 VanDerWaalsContact C-N 3.34Å; I573-E575 PolarHBondContact O-N 3.22Å; E575-L577 PolarHBondContact O-N 2.92Å; E575-R578 PolarHBondContact O-N 3.4Å; E575-S579 PolarHBondContact O-N 3.49Å; E575-S579 PolarHBondContact O-OG 2.89Å
576	K	78.9	Confident	73.6	Confident	57 Å²	57	74.4 Å²	74.4	25%	0.248	42%	0.423	C	S	.	.	H	α-helix	trans	-59.7	-45	176.9	-81	-164.2	170.3	-157.2	0	111.9	K572 I573 S579 G580 A581 M583 E585 F586	K572-K576 WeakPolarHBondContact O-CB 3.44Å; K572-K576 PolarHBondContact O-N 3.25Å; I573-K576 PolarHBondContact O-N 3.46Å; K576-S579 WeakPolarHBondContact CA-OG 3.44Å; K576-S579 PolarHBondContact O-N 3.06Å; K576-S579 PolarHBondContact O-OG 3.44Å; K576-G580 PolarHBondContact O-N 2.84Å; K576-A581 HydrophobicContact CB-CB 4Å; K576-A581 HydrophobicContact CG-CB 4.3Å; K576-A581 WeakPolarHBondContact O-CB 3.35Å; K576-A581 PolarHBondContact O-N 2.96Å; K576-M583 HydrophobicContact CB-SD 4.4Å; K576-E585 IonicContact NZ-OE2 2.84Å; K576-E585 PolarHBondContact NZ-OE2 3.37Å; K576-E585 VanDerWaalsContact NZ-OE2 3.11Å; K576-F586 HydrophobicContact CD-CD2 4.35Å
577	L	81.9	Confident	73.3	Confident	62 Å²	62	74.1 Å²	74.1	33%	0.325	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-44.4	175.8	-74.4	171.3	0	0	0	111.8	Y397 I573 E575 S579 G580 M583	Y397-L577 HydrophobicContact CD1-CB 4.47Å; Y397-L577 HydrophobicContact CE1-CB 3.71Å; Y397-L577 HydrophobicContact CE1-CD1 4.47Å; Y397-L577 PolarHBondContact OH-O 2.94Å; I573-L577 HydrophobicContact CG2-CD1 3.78Å; I573-L577 HydrophobicContact CG2-CG 4.34Å; I573-L577 WeakPolarHBondContact O-CB 3.23Å; I573-L577 WeakPolarHBondContact O-CG 3.38Å; I573-L577 PolarHBondContact O-N 3.33Å; E575-L577 PolarHBondContact O-N 2.92Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.11Å; L577-G580 PolarHBondContact O-N 3.49Å; L577-G580 VanDerWaalsContact O-N 3.07Å; L577-M583 HydrophobicContact CD2-CE 4.09Å; L577-M583 HydrophobicContact CD2-CG 3.56Å; L577-M583 HydrophobicContact CD2-SD 3.54Å; L577-M583 VanDerWaalsContact CD2-SD 3.54Å; L577-M583 HydrophobicContact CG-CE 4.15Å; L577-M583 HydrophobicContact CG-CG 4.47Å; L577-M583 HydrophobicContact CG-SD 3.79Å
578	R	76.5	Confident	73	Confident	103 Å²	103	80.8 Å²	80.8	39%	0.389	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-35.7	175.5	-80.8	179.2	177.9	134.5	4	112	Y397 E398 E401 V574 E575 G580	Y397-R578 HydrophobicContact CD1-CG 4.19Å; Y397-R578 HydrophobicContact CD2-CG 3.51Å; Y397-R578 HydrophobicContact CE1-CG 4.47Å; Y397-R578 HydrophobicContact CE2-CG 3.82Å; Y397-R578 HydrophobicContact CG-CG 3.71Å; E398-R578 IonicContact OE1-CZ 3.61Å; E398-R578 IonicContact OE1-NE 2.56Å; E398-R578 IonicContact OE1-NH2 3.53Å; E398-R578 PolarHBondContact OE1-NH2 2.98Å; E401-R578 IonicContact OE1-CZ 2.64Å; E401-R578 IonicContact OE1-NH1 2.66Å; E401-R578 PolarHBondContact OE1-NH1 2.95Å; E401-R578 IonicContact OE1-NH2 2.74Å; E401-R578 IonicContact OE2-CZ 3.72Å; E401-R578 IonicContact OE2-NH1 3.53Å; E401-R578 IonicContact OE2-NH2 3.61Å; E401-R578 PolarHBondContact OE2-NH2 2.9Å; V574-R578 HydrophobicContact CG1-CG 4.45Å; V574-R578 WeakPolarHBondContact O-CB 3.43Å; V574-R578 VanDerWaalsContact O-CG 3.3Å; V574-R578 WeakPolarHBondContact O-CG 3.49Å; V574-R578 PolarHBondContact O-N 2.89Å; E575-R578 PolarHBondContact O-N 3.4Å; R578-G580 PolarHBondContact O-N 3Å
579	S	80.1	Confident	73.4	Confident	87 Å²	87	82.2 Å²	82.2	61%	0.608	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.3	176.9	65.3	0	0	0	0	114.3	E575 K576 L577 A581	E575-S579 PolarHBondContact O-N 3.49Å; E575-S579 PolarHBondContact O-OG 2.89Å; K576-S579 WeakPolarHBondContact CA-OG 3.44Å; K576-S579 PolarHBondContact O-N 3.06Å; K576-S579 PolarHBondContact O-OG 3.44Å; L577-S579 VanDerWaalsContact C-N 3.26Å; L577-S579 PolarHBondContact O-N 3.11Å; S579-A581 VanDerWaalsContact C-N 3.27Å; S579-A581 PolarHBondContact O-N 3.3Å
580	G	79.7	Confident	73.5	Confident	67 Å²	67	83.7 Å²	83.7	69%	0.691	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	28.2	-173	0	0	0	0	0	113.1	K576 L577 R578	K576-G580 PolarHBondContact O-N 2.84Å; L577-G580 PolarHBondContact O-N 3.49Å; L577-G580 VanDerWaalsContact O-N 3.07Å; R578-G580 PolarHBondContact O-N 3Å
581	A	79.1	Confident	73.6	Confident	37 Å²	37	85.9 Å²	85.9	31%	0.306	45%	0.454	S	S	.	.			trans	-68.2	149.4	176.8	0	0	0	0	0	110.4	K576 S579 M583	K576-A581 HydrophobicContact CB-CB 4Å; K576-A581 HydrophobicContact CG-CB 4.3Å; K576-A581 WeakPolarHBondContact O-CB 3.35Å; K576-A581 PolarHBondContact O-N 2.96Å; S579-A581 VanDerWaalsContact C-N 3.27Å; S579-A581 PolarHBondContact O-N 3.3Å; A581-M583 PolarHBondContact O-N 3.36Å
582	D	78.4	Confident	74	Confident	104 Å²	104	85.6 Å²	85.6	56%	0.556	44%	0.437	S	S	*	.			trans	-64.5	122.3	173	-173	-0.1	0	0	0	110	D584	D582-D584 VanDerWaalsContact C-N 3.31Å; D582-D584 VanDerWaalsContact OD1-CB 3.3Å; D582-D584 WeakPolarHBondContact OD1-CB 3.44Å; D582-D584 PolarHBondContact OD1-N 2.89Å
583	M	77	Confident	74.1	Confident	42 Å²	42	84.6 Å²	84.6	21%	0.207	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.7	-180	-66.5	-59.9	-64.6	0	0	112.2	I573 K576 L577 A581 E585 F586 D587	I573-M583 HydrophobicContact CG2-CE 4.05Å; K576-M583 HydrophobicContact CB-SD 4.4Å; L577-M583 HydrophobicContact CD2-CE 4.09Å; L577-M583 HydrophobicContact CD2-CG 3.56Å; L577-M583 HydrophobicContact CD2-SD 3.54Å; L577-M583 VanDerWaalsContact CD2-SD 3.54Å; L577-M583 HydrophobicContact CG-CE 4.15Å; L577-M583 HydrophobicContact CG-CG 4.47Å; L577-M583 HydrophobicContact CG-SD 3.79Å; A581-M583 PolarHBondContact O-N 3.36Å; M583-E585 PolarHBondContact O-N 3Å; M583-F586 HydrophobicContact CE-CB 3.98Å; M583-F586 HydrophobicContact CE-CD1 4.3Å; M583-F586 HydrophobicContact CE-CG 4.05Å; M583-F586 WeakPolarHBondContact O-CA 3.33Å; M583-F586 VanDerWaalsContact O-CB 3.28Å; M583-F586 WeakPolarHBondContact O-CB 3.32Å; M583-F586 PolarHBondContact O-N 2.84Å; M583-D587 PolarHBondContact O-N 3.44Å
584	D	75.6	Confident	73.9	Confident	95 Å²	95	87.3 Å²	87.3	51%	0.508	45%	0.45	S	S	.	.	H	α-helix	trans	-61.3	-31.1	176.8	-72.3	-7.7	0	0	0	111.6	D582 F586 R588	D582-D584 VanDerWaalsContact C-N 3.31Å; D582-D584 VanDerWaalsContact OD1-CB 3.3Å; D582-D584 WeakPolarHBondContact OD1-CB 3.44Å; D582-D584 PolarHBondContact OD1-N 2.89Å; D584-F586 VanDerWaalsContact C-N 3.3Å; D584-R588 VanDerWaalsContact O-CG 3.27Å; D584-R588 WeakPolarHBondContact O-CG 2.96Å; D584-R588 PolarHBondContact O-N 2.93Å
585	E	66.5	Low	73.8	Confident	131 Å²	131	92.4 Å²	92.4	61%	0.612	48%	0.476	S	S	*	.	H	α-helix	trans	-71.4	-26.9	173.8	-164.3	-162.3	-158.6	0	0	112.1	K576 M583	K576-E585 IonicContact NZ-OE2 2.84Å; K576-E585 PolarHBondContact NZ-OE2 3.37Å; K576-E585 VanDerWaalsContact NZ-OE2 3.11Å; M583-E585 PolarHBondContact O-N 3Å
586	F	64.4	Low	73.8	Confident	28 Å²	28	89.2 Å²	89.2	12%	0.123	46%	0.464	C	S	.	.	H	α-helix	trans	-78.9	-34.6	177	-164.4	-81.9	0	0	0	112.1	N569 I573 K576 M583 D584 R588	N569-F586 HydrophobicContact CB-CE2 3.56Å; N569-F586 HydrophobicContact CB-CZ 3.85Å; N569-F586 VanDerWaalsContact O-CE2 3.28Å; N569-F586 WeakPolarHBondContact O-CE2 3.3Å; I573-F586 HydrophobicContact CB-CE2 4.5Å; I573-F586 HydrophobicContact CB-CZ 4.49Å; I573-F586 HydrophobicContact CD1-CD1 4.43Å; I573-F586 HydrophobicContact CD1-CE1 3.48Å; I573-F586 VanDerWaalsContact CD1-CE1 3.48Å; I573-F586 HydrophobicContact CD1-CE2 4.15Å; I573-F586 HydrophobicContact CD1-CZ 3.34Å; I573-F586 HydrophobicContact CG1-CD1 4.21Å; I573-F586 HydrophobicContact CG1-CD2 4.08Å; I573-F586 HydrophobicContact CG1-CE1 3.52Å; I573-F586 HydrophobicContact CG1-CE2 3.31Å; I573-F586 HydrophobicContact CG1-CG 4.49Å; I573-F586 HydrophobicContact CG1-CZ 3.04Å; K576-F586 HydrophobicContact CD-CD2 4.35Å; M583-F586 HydrophobicContact CE-CB 3.98Å; M583-F586 HydrophobicContact CE-CD1 4.3Å; M583-F586 HydrophobicContact CE-CG 4.05Å; M583-F586 WeakPolarHBondContact O-CA 3.33Å; M583-F586 VanDerWaalsContact O-CB 3.28Å; M583-F586 WeakPolarHBondContact O-CB 3.32Å; M583-F586 PolarHBondContact O-N 2.84Å; D584-F586 VanDerWaalsContact C-N 3.3Å; F586-R588 VanDerWaalsContact C-N 3.35Å
587	D	63.4	Low	73.4	Confident	98 Å²	98	91.9 Å²	91.9	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-77.8	-19.6	-179.9	-73.8	-13.4	0	0	0	113.3	M583	M583-D587 PolarHBondContact O-N 3.44Å
588	R	57.6	Low	72.6	Confident	249 Å²	249	94.6 Å²	94.6	94%	0.94	50%	0.497	S	S	*	.			trans	-75	0	171.2	-75.9	175	-167.5	-168.3	6.9	111.9	D584 F586	D584-R588 VanDerWaalsContact O-CG 3.27Å; D584-R588 WeakPolarHBondContact O-CG 2.96Å; D584-R588 PolarHBondContact O-N 2.93Å; F586-R588 VanDerWaalsContact C-N 3.35Å

Retrieved 588 of 588 residues in 527.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).