A0A5K4F7D3_SCHMA Loading...

Otopetrin

AlphaFold DB , UniProt , Accession A0A5K4F7D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 691 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	59.3	Low	78.8	Confident	199 Å²	199	85.5 Å²	85.5	98%	0.98	47%	0.465	S	S	*	.				0	-54	0	-68	-178.8	77.4	0	0	113	A3 S4 L5	M1-A3 PolarHBondContact O-N 3.5Å; M1-S4 WeakPolarHBondContact O-CB 3.33Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 VanDerWaalsContact O-N 3.16Å; M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2	T	70.5	Confident	79.7	Confident	67 Å²	67	83.6 Å²	83.6	41%	0.411	46%	0.458	S	S	.	.	H	α-helix	trans	-56.8	-46.3	-177.9	49.7	0	0	0	0	113.9	S4 L5 L6 V241	T2-S4 VanDerWaalsContact C-N 3.3Å; T2-S4 PolarHBondContact O-N 3.22Å; T2-L5 PolarHBondContact O-N 3.24Å; T2-L6 VanDerWaalsContact O-CG 3.28Å; T2-L6 WeakPolarHBondContact O-CG 3.44Å; T2-L6 PolarHBondContact O-N 3.3Å; T2-V241 HydrophobicContact CG2-CG1 4.19Å; T2-V241 HydrophobicContact CG2-CG2 3.98Å
3	A	71.6	Confident	80.5	Confident	72 Å²	72	79.5 Å²	79.5	60%	0.595	43%	0.434	S	S	*	.	H	α-helix	trans	-59.3	-38.6	177.3	0	0	0	0	0	113.2	M1 L6 F7	M1-A3 PolarHBondContact O-N 3.5Å; A3-L6 PolarHBondContact O-N 3.17Å; A3-F7 WeakPolarHBondContact O-CB 3.16Å; A3-F7 PolarHBondContact O-N 3.16Å
4	S	76.8	Confident	81.2	Confident	76 Å²	76	75.9 Å²	75.9	53%	0.531	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-41.3	177.7	-166.8	0	0	0	0	111.8	M1 T2 F7 M8	M1-S4 WeakPolarHBondContact O-CB 3.33Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-S4 VanDerWaalsContact O-N 3.16Å; T2-S4 VanDerWaalsContact C-N 3.3Å; T2-S4 PolarHBondContact O-N 3.22Å; S4-F7 PolarHBondContact O-N 3.37Å; S4-M8 WeakPolarHBondContact O-CB 3.46Å; S4-M8 WeakPolarHBondContact O-CG 3.37Å; S4-M8 PolarHBondContact O-N 2.75Å
5	L	82.3	Confident	81.9	Confident	121 Å²	121	77.2 Å²	77.2	63%	0.634	42%	0.422	S	S	*	.	H	α-helix	trans	-65.3	-43.2	177.1	-70.9	171.5	0	0	0	111.7	M1 T2 F7 M8 F9	M1-L5 PolarHBondContact O-N 3.11Å; M1-L5 VanDerWaalsContact O-N 3.14Å; T2-L5 PolarHBondContact O-N 3.24Å; L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 PolarHBondContact O-N 2.72Å; L5-M8 PolarHBondContact O-N 2.78Å; L5-F9 WeakPolarHBondContact O-CB 3.2Å; L5-F9 PolarHBondContact O-N 3.15Å
6	L	79.3	Confident	82.5	Confident	17 Å²	17	79.4 Å²	79.4	9%	0.089	43%	0.426	C	S	.	.	H	α-helix	trans	-60	-43.7	176.6	-68.8	175.8	0	0	0	111.6	T2 A3 A10 R244 L245 I248	T2-L6 VanDerWaalsContact O-CG 3.28Å; T2-L6 WeakPolarHBondContact O-CG 3.44Å; T2-L6 PolarHBondContact O-N 3.3Å; A3-L6 PolarHBondContact O-N 3.17Å; L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 3.46Å; L6-R244 HydrophobicContact CD1-CB 3.92Å; L6-R244 HydrophobicContact CD2-CB 4.46Å; L6-L245 HydrophobicContact CD2-CB 3.66Å; L6-L245 HydrophobicContact CD2-CD1 3.66Å; L6-L245 HydrophobicContact CD2-CG 4.28Å; L6-I248 HydrophobicContact CB-CD1 3.78Å; L6-I248 HydrophobicContact CD1-CD1 4Å; L6-I248 HydrophobicContact CD2-CD1 4.14Å; L6-I248 HydrophobicContact CG-CD1 4.18Å
7	F	80.5	Confident	82.9	Confident	133 Å²	133	74.8 Å²	74.8	58%	0.583	40%	0.402	S	S	*	.	H	α-helix	trans	-66.4	-46	178.1	-175.6	-112.2	0	0	0	112.4	A3 S4 L5 F9 A10 I11	A3-F7 WeakPolarHBondContact O-CB 3.16Å; A3-F7 PolarHBondContact O-N 3.16Å; S4-F7 PolarHBondContact O-N 3.37Å; L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 PolarHBondContact O-N 2.72Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.43Å; F7-A10 PolarHBondContact O-N 3.22Å; F7-I11 HydrophobicContact CD1-CD1 3.65Å; F7-I11 HydrophobicContact CD1-CG1 4.5Å; F7-I11 HydrophobicContact CD2-CD1 4.28Å; F7-I11 HydrophobicContact CE1-CD1 3.15Å; F7-I11 HydrophobicContact CE1-CG1 4.3Å; F7-I11 HydrophobicContact CE2-CD1 3.84Å; F7-I11 HydrophobicContact CE2-CG1 4.3Å; F7-I11 HydrophobicContact CG-CD1 4.21Å; F7-I11 HydrophobicContact CZ-CD1 3.29Å; F7-I11 HydrophobicContact CZ-CG1 4.22Å; F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å; F7-I11 PolarHBondContact O-N 2.93Å
8	M	87.8	Confident	83.3	Confident	107 Å²	107	74.5 Å²	74.5	53%	0.527	40%	0.397	S	S	.	.	H	α-helix	trans	-62.3	-40.3	177.5	-70.9	-61.8	-72.1	0	0	112	S4 L5 T12	S4-M8 WeakPolarHBondContact O-CB 3.46Å; S4-M8 WeakPolarHBondContact O-CG 3.37Å; S4-M8 PolarHBondContact O-N 2.75Å; L5-M8 PolarHBondContact O-N 2.78Å; M8-T12 WeakPolarHBondContact O-CB 3.49Å; M8-T12 PolarHBondContact O-N 3.39Å; M8-T12 PolarHBondContact O-OG1 3.25Å
9	F	85.6	Confident	83.8	Confident	71 Å²	71	74.4 Å²	74.4	31%	0.311	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-48.2	175.4	176.1	-96.8	0	0	0	111.7	L5 F7 T12 Q13 L245 H249	L5-F9 WeakPolarHBondContact O-CB 3.2Å; L5-F9 PolarHBondContact O-N 3.15Å; F7-F9 VanDerWaalsContact C-N 3.32Å; F7-F9 PolarHBondContact O-N 3.43Å; F9-T12 PolarHBondContact O-N 2.96Å; F9-Q13 WeakPolarHBondContact O-CG 3.46Å; F9-Q13 PolarHBondContact O-N 3.4Å; F9-Q13 VanDerWaalsContact O-N 3.12Å; F9-L245 HydrophobicContact CB-CD1 4.16Å; F9-L245 HydrophobicContact CD1-CD1 3.45Å; F9-L245 VanDerWaalsContact CD1-CD1 3.45Å; F9-L245 HydrophobicContact CD2-CD1 4.26Å; F9-L245 HydrophobicContact CE1-CD1 3.76Å; F9-L245 HydrophobicContact CE1-CG 4.39Å; F9-L245 HydrophobicContact CG-CD1 3.71Å; F9-L245 HydrophobicContact CZ-CD1 4.26Å; F9-H249 HydrophobicContact CE1-CB 3.79Å; F9-H249 AromaticContact CE1-ND1 3.78Å; F9-H249 HydrophobicContact CZ-CB 4.28Å; F9-H249 AromaticContact CZ-ND1 3.72Å
10	A	84.9	Confident	84.2	Confident	17 Å²	17	72.6 Å²	72.6	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-61.6	-47.1	177.8	0	0	0	0	0	111.9	L6 F7 T12 Q13 C14 I248	L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 3.46Å; F7-A10 PolarHBondContact O-N 3.22Å; A10-T12 VanDerWaalsContact C-N 3.35Å; A10-T12 PolarHBondContact O-N 3.47Å; A10-Q13 PolarHBondContact O-N 3.07Å; A10-C14 PolarHBondContact O-N 3.13Å; A10-C14 PolarHBondContact O-SG 3.02Å; A10-C14 VanDerWaalsContact O-SG 3.4Å; A10-I248 HydrophobicContact CB-CG2 3.63Å
11	I	88.7	Confident	84.4	Confident	60 Å²	60	69.4 Å²	69.4	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-46.2	177.9	-76	-178.7	0	0	0	111.1	F7 Q13 C14 I15	F7-I11 HydrophobicContact CD1-CD1 3.65Å; F7-I11 HydrophobicContact CD1-CG1 4.5Å; F7-I11 HydrophobicContact CD2-CD1 4.28Å; F7-I11 HydrophobicContact CE1-CD1 3.15Å; F7-I11 HydrophobicContact CE1-CG1 4.3Å; F7-I11 HydrophobicContact CE2-CD1 3.84Å; F7-I11 HydrophobicContact CE2-CG1 4.3Å; F7-I11 HydrophobicContact CG-CD1 4.21Å; F7-I11 HydrophobicContact CZ-CD1 3.29Å; F7-I11 HydrophobicContact CZ-CG1 4.22Å; F7-I11 WeakPolarHBondContact O-CB 3.34Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å; F7-I11 PolarHBondContact O-N 2.93Å; I11-Q13 VanDerWaalsContact C-N 3.29Å; I11-Q13 PolarHBondContact O-N 3.43Å; I11-C14 CarbonylContact O-C 3.43Å; I11-C14 WeakPolarHBondContact O-CB 3.4Å; I11-C14 PolarHBondContact O-N 3.2Å; I11-C14 VanDerWaalsContact O-N 3.16Å; I11-I15 HydrophobicContact CG2-CD1 3.55Å; I11-I15 HydrophobicContact CG2-CG1 4.1Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.43Å
12	T	89.7	Confident	85.8	Confident	63 Å²	63	63.5 Å²	63.5	39%	0.387	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-44.4	-178.6	-56.6	0	0	0	0	110.3	M8 F9 A10 C14 I15 F16	M8-T12 WeakPolarHBondContact O-CB 3.49Å; M8-T12 PolarHBondContact O-N 3.39Å; M8-T12 PolarHBondContact O-OG1 3.25Å; F9-T12 PolarHBondContact O-N 2.96Å; A10-T12 VanDerWaalsContact C-N 3.35Å; A10-T12 PolarHBondContact O-N 3.47Å; T12-C14 PolarHBondContact O-N 3.33Å; T12-I15 PolarHBondContact O-N 3.06Å; T12-F16 HydrophobicContact CG2-CD2 3.99Å; T12-F16 HydrophobicContact CG2-CE2 3.66Å; T12-F16 WeakPolarHBondContact O-CD2 3.28Å; T12-F16 PolarHBondContact O-N 2.99Å
13	Q	89.4	Confident	86.6	Confident	30 Å²	30	62.7 Å²	62.7	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-39.5	176.1	-70.4	-172.4	-20.6	0	0	113	F9 A10 I11 G17 H249 T252	F9-Q13 WeakPolarHBondContact O-CG 3.46Å; F9-Q13 PolarHBondContact O-N 3.4Å; F9-Q13 VanDerWaalsContact O-N 3.12Å; A10-Q13 PolarHBondContact O-N 3.07Å; I11-Q13 VanDerWaalsContact C-N 3.29Å; I11-Q13 PolarHBondContact O-N 3.43Å; Q13-G17 PolarHBondContact O-N 3.13Å; Q13-H249 VanDerWaalsContact CD-ND1 3.32Å; Q13-H249 PolarHBondContact NE2-CE1 3.16Å; Q13-H249 PolarHBondContact NE2-ND1 3.41Å; Q13-H249 PolarHBondContact OE1-ND1 3.23Å; Q13-T252 HydrophobicContact CB-CG2 3.72Å
14	C	90	Very high	87.2	Confident	30 Å²	30	61.5 Å²	61.5	20%	0.203	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-50.5	172.5	-74.4	0	0	0	0	110.9	A10 I11 T12 F16 G17 F18 T252	A10-C14 PolarHBondContact O-N 3.13Å; A10-C14 PolarHBondContact O-SG 3.02Å; A10-C14 VanDerWaalsContact O-SG 3.4Å; I11-C14 CarbonylContact O-C 3.43Å; I11-C14 WeakPolarHBondContact O-CB 3.4Å; I11-C14 PolarHBondContact O-N 3.2Å; I11-C14 VanDerWaalsContact O-N 3.16Å; T12-C14 PolarHBondContact O-N 3.33Å; C14-F16 VanDerWaalsContact C-N 3.33Å; C14-F16 PolarHBondContact O-N 2.94Å; C14-G17 CarbonylContact O-C 3.6Å; C14-G17 WeakPolarHBondContact O-CA 3.19Å; C14-G17 PolarHBondContact O-N 3.25Å; C14-F18 HydrophobicContact CB-CD2 4.33Å; C14-F18 HydrophobicContact CB-CE2 4.22Å; C14-F18 WeakPolarHBondContact O-CD2 3.25Å; C14-F18 PolarHBondContact O-N 3.19Å; C14-T252 VanDerWaalsContact SG-CG2 3.59Å
15	I	92.4	Very high	87.5	Confident	95 Å²	95	58.6 Å²	58.6	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-53.8	-50.6	-178	-69.3	167.7	0	0	0	110.7	I11 T12 G17 F18 V19	I11-I15 HydrophobicContact CG2-CD1 3.55Å; I11-I15 HydrophobicContact CG2-CG1 4.1Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 3.43Å; T12-I15 PolarHBondContact O-N 3.06Å; I15-G17 VanDerWaalsContact C-N 3.35Å; I15-G17 PolarHBondContact O-N 3.15Å; I15-F18 PolarHBondContact O-N 3.43Å; I15-V19 HydrophobicContact CG2-CG2 4.18Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.47Å; I15-V19 PolarHBondContact O-N 3.32Å
16	F	91.1	Very high	87.4	Confident	112 Å²	112	57.7 Å²	57.7	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-39.9	176.2	-71.1	-67.8	0	0	0	112.6	T12 C14 F18 L20 F46	T12-F16 HydrophobicContact CG2-CD2 3.99Å; T12-F16 HydrophobicContact CG2-CE2 3.66Å; T12-F16 WeakPolarHBondContact O-CD2 3.28Å; T12-F16 PolarHBondContact O-N 2.99Å; C14-F16 VanDerWaalsContact C-N 3.33Å; C14-F16 PolarHBondContact O-N 2.94Å; F16-F18 PolarHBondContact O-N 3.3Å; F16-L20 HydrophobicContact CB-CD1 4.43Å; F16-L20 WeakPolarHBondContact O-CB 3.48Å; F16-L20 WeakPolarHBondContact O-CG 3.5Å; F16-L20 PolarHBondContact O-N 3.32Å; F16-L20 VanDerWaalsContact O-N 3.12Å; F16-F46 HydrophobicContact CB-CD2 4.16Å; F16-F46 HydrophobicContact CB-CE1 4.4Å; F16-F46 HydrophobicContact CB-CE2 3.38Å; F16-F46 HydrophobicContact CB-CZ 3.5Å; F16-F46 HydrophobicContact CG-CE2 4.22Å
17	G	89.3	Confident	87.2	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-19.7	176.2	0	0	0	0	0	114.8	Q13 C14 I15 P21	Q13-G17 PolarHBondContact O-N 3.13Å; C14-G17 CarbonylContact O-C 3.6Å; C14-G17 WeakPolarHBondContact O-CA 3.19Å; C14-G17 PolarHBondContact O-N 3.25Å; I15-G17 VanDerWaalsContact C-N 3.35Å; I15-G17 PolarHBondContact O-N 3.15Å; G17-P21 WeakPolarHBondContact O-CD 3.21Å; G17-P21 WeakPolarHBondContact O-CG 3.43Å
18	F	90.6	Very high	86.2	Confident	69 Å²	69	59 Å²	59	30%	0.303	31%	0.312	S	S	.	.	H	α-helix	trans	-93.8	-49.8	174.6	-80.8	-115.2	0	0	0	111.4	C14 I15 F16 P21 I22 F255 L259	C14-F18 HydrophobicContact CB-CD2 4.33Å; C14-F18 HydrophobicContact CB-CE2 4.22Å; C14-F18 WeakPolarHBondContact O-CD2 3.25Å; C14-F18 PolarHBondContact O-N 3.19Å; I15-F18 PolarHBondContact O-N 3.43Å; F16-F18 PolarHBondContact O-N 3.3Å; F18-P21 WeakPolarHBondContact O-CD 3.41Å; F18-I22 WeakPolarHBondContact O-CB 3.45Å; F18-I22 VanDerWaalsContact O-CD1 3.31Å; F18-I22 WeakPolarHBondContact O-CD1 3.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.32Å; F18-I22 PolarHBondContact O-N 3.31Å; F18-F255 HydrophobicContact CE2-CD1 4.15Å; F18-F255 AromaticContact CE2-CE1 3.5Å; F18-F255 HydrophobicContact CE2-CE1 3.5Å; F18-F255 VanDerWaalsContact CE2-CE1 3.5Å; F18-F255 HydrophobicContact CE2-CZ 4.28Å; F18-F255 AromaticContact CZ-CE1 3.49Å; F18-F255 HydrophobicContact CZ-CE1 3.49Å; F18-F255 VanDerWaalsContact CZ-CE1 3.49Å; F18-F255 AromaticContact CZ-CZ 3.82Å; F18-F255 HydrophobicContact CZ-CZ 3.82Å; F18-L259 HydrophobicContact CB-CD2 3.86Å; F18-L259 HydrophobicContact CD1-CD1 4.29Å; F18-L259 HydrophobicContact CD1-CD2 3.22Å; F18-L259 HydrophobicContact CD1-CG 4.37Å; F18-L259 HydrophobicContact CD2-CD2 3.29Å; F18-L259 HydrophobicContact CE1-CD1 3.9Å; F18-L259 HydrophobicContact CE1-CD2 3.44Å; F18-L259 VanDerWaalsContact CE1-CD2 3.44Å; F18-L259 HydrophobicContact CE1-CG 4.29Å; F18-L259 HydrophobicContact CE2-CD2 3.57Å; F18-L259 HydrophobicContact CG-CD2 3.16Å; F18-L259 HydrophobicContact CZ-CD1 4.28Å; F18-L259 HydrophobicContact CZ-CD2 3.63Å; F18-L259 HydrophobicContact CZ-CG 4.47Å
19	V	92	Very high	84.9	Confident	73 Å²	73	61.5 Å²	61.5	44%	0.442	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-47.4	-172.9	173.2	0	0	0	0	111.2	I15 I22 C23	I15-V19 HydrophobicContact CG2-CG2 4.18Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.47Å; I15-V19 PolarHBondContact O-N 3.32Å; V19-I22 PolarHBondContact O-N 2.85Å; V19-C23 WeakPolarHBondContact O-CB 3.32Å; V19-C23 PolarHBondContact O-N 2.92Å; V19-C23 PolarHBondContact O-SG 3.39Å
20	L	91.4	Very high	83.3	Confident	38 Å²	38	68.4 Å²	68.4	20%	0.199	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-47.2	-174.4	-66.2	170.2	0	0	0	112.9	F16 I22 C23 D24 L43 F46	F16-L20 HydrophobicContact CB-CD1 4.43Å; F16-L20 WeakPolarHBondContact O-CB 3.48Å; F16-L20 WeakPolarHBondContact O-CG 3.5Å; F16-L20 PolarHBondContact O-N 3.32Å; F16-L20 VanDerWaalsContact O-N 3.12Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.36Å; L20-C23 PolarHBondContact O-N 3.33Å; L20-D24 WeakPolarHBondContact O-CB 3.39Å; L20-D24 PolarHBondContact O-N 2.86Å; L20-L43 HydrophobicContact CB-CD1 3.87Å; L20-F46 HydrophobicContact CD1-CB 3.52Å; L20-F46 HydrophobicContact CD1-CD1 3.77Å; L20-F46 HydrophobicContact CD1-CD2 3.88Å; L20-F46 HydrophobicContact CD1-CE1 4.41Å; L20-F46 HydrophobicContact CD1-CG 3.43Å; L20-F46 VanDerWaalsContact CD1-CG 3.43Å
21	P	89.8	Confident	81.6	Confident	5 Å²	5	72 Å²	72	3%	0.032	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-36.6	174.7	-26.7	37	0	0	0	113.9	G17 F18 S25 L43 K260 V263	G17-P21 WeakPolarHBondContact O-CD 3.21Å; G17-P21 WeakPolarHBondContact O-CG 3.43Å; F18-P21 WeakPolarHBondContact O-CD 3.41Å; P21-S25 WeakPolarHBondContact O-CB 3.48Å; P21-S25 PolarHBondContact O-N 3.37Å; P21-S25 PolarHBondContact O-OG 3.01Å; P21-L43 HydrophobicContact CG-CD1 3.84Å; P21-K260 HydrophobicContact CB-CB 4.27Å; P21-K260 HydrophobicContact CB-CG 4.15Å; P21-K260 HydrophobicContact CG-CB 3.87Å; P21-K260 HydrophobicContact CG-CG 3.91Å; P21-V263 HydrophobicContact CB-CB 4.31Å; P21-V263 HydrophobicContact CB-CG1 4.11Å
22	I	87.9	Confident	79.5	Confident	76 Å²	76	77.3 Å²	77.3	39%	0.39	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-45.7	178.4	-68	169.6	0	0	0	110.3	F18 V19 L20 S25 F26 V263	F18-I22 WeakPolarHBondContact O-CB 3.45Å; F18-I22 VanDerWaalsContact O-CD1 3.31Å; F18-I22 WeakPolarHBondContact O-CD1 3.35Å; F18-I22 WeakPolarHBondContact O-CG1 3.32Å; F18-I22 PolarHBondContact O-N 3.31Å; V19-I22 PolarHBondContact O-N 2.85Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.36Å; I22-S25 PolarHBondContact O-N 3.17Å; I22-F26 HydrophobicContact CG2-CD2 4.06Å; I22-F26 WeakPolarHBondContact O-CB 3.47Å; I22-F26 WeakPolarHBondContact O-CD2 3.44Å; I22-F26 PolarHBondContact O-N 2.85Å; I22-V263 HydrophobicContact CG1-CG1 4.07Å; I22-V263 HydrophobicContact CG1-CG2 4.22Å
23	C	87.5	Confident	77.9	Confident	50 Å²	50	81.6 Å²	81.6	34%	0.338	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.9	-71.1	0	0	0	0	112.2	V19 L20 S25 G27	V19-C23 WeakPolarHBondContact O-CB 3.32Å; V19-C23 PolarHBondContact O-N 2.92Å; V19-C23 PolarHBondContact O-SG 3.39Å; L20-C23 PolarHBondContact O-N 3.33Å; C23-S25 VanDerWaalsContact C-N 3.34Å; C23-S25 PolarHBondContact O-N 2.85Å; C23-G27 VanDerWaalsContact O-CA 3.23Å; C23-G27 WeakPolarHBondContact O-CA 3.29Å; C23-G27 PolarHBondContact O-N 2.96Å
24	D	84.4	Confident	76.1	Confident	47 Å²	47	89 Å²	89	25%	0.251	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-41.3	174.6	179.3	67.2	0	0	0	112	L20 K40 L43	L20-D24 WeakPolarHBondContact O-CB 3.39Å; L20-D24 PolarHBondContact O-N 2.86Å; D24-K40 WeakPolarHBondContact OD1-CA 3.4Å; D24-K40 WeakPolarHBondContact OD1-CB 3.47Å; D24-K40 PolarHBondContact OD1-N 3.34Å; D24-L43 HydrophobicContact CB-CD2 3.77Å
25	S	82.1	Confident	74.3	Confident	14 Å²	14	94.1 Å²	94.1	10%	0.098	45%	0.453	C	S	.	.	H	α-helix	trans	-74.1	-38.2	-176.5	-73.6	0	0	0	0	114.3	P21 I22 C23 V263 A267	P21-S25 WeakPolarHBondContact O-CB 3.48Å; P21-S25 PolarHBondContact O-N 3.37Å; P21-S25 PolarHBondContact O-OG 3.01Å; I22-S25 PolarHBondContact O-N 3.17Å; C23-S25 VanDerWaalsContact C-N 3.34Å; C23-S25 PolarHBondContact O-N 2.85Å; S25-V263 WeakPolarHBondContact OG-CG1 3.49Å; S25-A267 VanDerWaalsContact CB-CB 3.5Å
26	F	81.5	Confident	72.5	Confident	102 Å²	102	94.1 Å²	94.1	45%	0.447	45%	0.451	S	S	.	.	H	α-helix	trans	-117.9	5.6	-170.3	-65.3	-79.8	0	0	0	114.1	I22 M28 V263 V266 L270	I22-F26 HydrophobicContact CG2-CD2 4.06Å; I22-F26 WeakPolarHBondContact O-CB 3.47Å; I22-F26 WeakPolarHBondContact O-CD2 3.44Å; I22-F26 PolarHBondContact O-N 2.85Å; F26-M28 PolarHBondContact O-N 3.45Å; F26-V263 HydrophobicContact CE2-CG1 4.41Å; F26-V266 HydrophobicContact CZ-CG1 3.98Å; F26-L270 HydrophobicContact CE1-CD1 3.44Å; F26-L270 VanDerWaalsContact CE1-CD1 3.44Å; F26-L270 HydrophobicContact CZ-CD1 3.88Å
27	G	73.7	Confident	71	Confident	31 Å²	31	91.5 Å²	91.5	32%	0.32	45%	0.45	S	S	.	.			trans	-49.2	124.5	176.6	0	0	0	0	0	111.6	C23 K29	C23-G27 VanDerWaalsContact O-CA 3.23Å; C23-G27 WeakPolarHBondContact O-CA 3.29Å; C23-G27 PolarHBondContact O-N 2.96Å; G27-K29 PolarHBondContact O-N 3.12Å
28	M	60.5	Low	70.1	Confident	147 Å²	147	94.9 Å²	94.9	72%	0.724	47%	0.467	S	S	*	.			trans	-71.3	117.9	-171.4	-165.2	164.4	57.7	0	0	110.3	F26 R30	F26-M28 PolarHBondContact O-N 3.45Å; M28-R30 HydrophobicContact CG-CB 4.26Å; M28-R30 PolarHBondContact O-N 3.14Å
29	K	59.7	Low	69.7	Low	159 Å²	159	93.6 Å²	93.6	69%	0.691	46%	0.462	S	S	*	.			trans	-63.1	13	-176.1	-68.7	-173.9	171.5	-172	0	116.4	G27 S31	G27-K29 PolarHBondContact O-N 3.12Å; K29-S31 PolarHBondContact O-N 3.2Å
30	R	53.4	Low	69.2	Low	216 Å²	216	93.8 Å²	93.8	82%	0.815	46%	0.457	S	S	*	.	S	Bend	trans	-76.7	-14.4	-157.1	-155.9	164.9	-173.2	160.2	0.7	115.1	M28	M28-R30 HydrophobicContact CG-CB 4.26Å; M28-R30 PolarHBondContact O-N 3.14Å
31	S	48.6	Very low	69	Low	93 Å²	93	97.5 Å²	97.5	65%	0.65	47%	0.47	S	S	*	.	S	Bend	trans	-163.8	123.6	172.4	55.6	0	0	0	0	113.3	K29	K29-S31 PolarHBondContact O-N 3.2Å
32	K	45.6	Very low	69	Low	172 Å²	172	103.8 Å²	103.8	75%	0.748	49%	0.494	S	S	*	.			trans	72.9	120	171.3	-64.3	-179.7	177.4	178	0	116.8	Y34 Y35	K32-Y34 PolarHBondContact O-N 3.23Å; K32-Y35 PolarHBondContact O-N 3.33Å
33	L	54.5	Low	69.1	Low	152 Å²	152	100.5 Å²	100.5	80%	0.796	48%	0.477	S	S	*	.	H	α-helix	trans	-44.3	-25	167.6	-162.8	77	0	0	0	113.9
34	Y	51.8	Low	69.3	Low	186 Å²	186	98.3 Å²	98.3	73%	0.729	46%	0.462	S	S	*	.	H	α-helix	trans	-64.7	-36.9	174.6	-75.4	-86.6	0	0	0	113.6	K32 E36 A37 D38	K32-Y34 PolarHBondContact O-N 3.23Å; Y34-E36 PolarHBondContact O-N 3.01Å; Y34-A37 WeakPolarHBondContact O-CB 3.43Å; Y34-A37 PolarHBondContact O-N 3.39Å; Y34-D38 PolarHBondContact O-N 3.14Å
35	Y	51.7	Low	69.7	Low	137 Å²	137	99.5 Å²	99.5	54%	0.537	47%	0.467	S	S	.	.	H	α-helix	trans	-71.7	-33	-175.4	-153	-102.8	0	0	0	112.5	K32 A37 D38 H39	K32-Y35 PolarHBondContact O-N 3.33Å; Y35-A37 VanDerWaalsContact C-N 3.34Å; Y35-D38 PolarHBondContact O-N 3.16Å; Y35-H39 AromaticContact CD1-NE2 3.36Å; Y35-H39 WeakPolarHBondContact CD1-NE2 3.45Å; Y35-H39 AromaticContact CE1-CE1 3.57Å; Y35-H39 AromaticContact CE1-NE2 2.98Å; Y35-H39 WeakPolarHBondContact CE1-NE2 3.44Å; Y35-H39 AromaticContact CZ-CE1 3.9Å; Y35-H39 AromaticContact CZ-NE2 3.78Å; Y35-H39 PolarHBondContact O-CD2 3.41Å
36	E	56.2	Low	70.2	Confident	96 Å²	96	100.5 Å²	100.5	45%	0.449	47%	0.47	S	S	.	.	H	α-helix	trans	-70.6	-31.8	174.8	-167.1	167.6	-168.2	0	0	111.4	Y34	Y34-E36 PolarHBondContact O-N 3.01Å
37	A	59.6	Low	70.8	Confident	57 Å²	57	96 Å²	96	47%	0.471	45%	0.45	S	S	.	.	H	α-helix	trans	-69.3	-36	174.9	0	0	0	0	0	112.4	Y34 Y35 Y41	Y34-A37 WeakPolarHBondContact O-CB 3.43Å; Y34-A37 PolarHBondContact O-N 3.39Å; Y35-A37 VanDerWaalsContact C-N 3.34Å; A37-Y41 WeakPolarHBondContact O-CB 3.3Å; A37-Y41 PolarHBondContact O-N 2.7Å; A37-Y41 VanDerWaalsContact O-N 3.08Å
38	D	69.8	Low	71.8	Confident	72 Å²	72	95.9 Å²	95.9	39%	0.385	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-48.5	-177.1	-70.4	-21.8	0	0	0	112	Y34 Y35 K40 Y41 Y42	Y34-D38 PolarHBondContact O-N 3.14Å; Y35-D38 PolarHBondContact O-N 3.16Å; D38-K40 PolarHBondContact O-N 3.13Å; D38-Y41 WeakPolarHBondContact O-CB 3.48Å; D38-Y41 PolarHBondContact O-N 3.13Å; D38-Y42 HydrophobicContact CB-CE2 4.15Å; D38-Y42 WeakPolarHBondContact O-CD2 3.42Å; D38-Y42 PolarHBondContact O-N 2.99Å
39	H	81.4	Confident	73.4	Confident	42 Å²	42	92.6 Å²	92.6	19%	0.194	43%	0.434	C	S	.	.	H	α-helix	trans	-61.3	-43.7	-179.7	-64.6	-43.4	0	0	0	112.9	Y35 Y41 Y42 L43	Y35-H39 AromaticContact CD1-NE2 3.36Å; Y35-H39 WeakPolarHBondContact CD1-NE2 3.45Å; Y35-H39 AromaticContact CE1-CE1 3.57Å; Y35-H39 AromaticContact CE1-NE2 2.98Å; Y35-H39 WeakPolarHBondContact CE1-NE2 3.44Å; Y35-H39 AromaticContact CZ-CE1 3.9Å; Y35-H39 AromaticContact CZ-NE2 3.78Å; Y35-H39 PolarHBondContact O-CD2 3.41Å; H39-Y41 VanDerWaalsContact C-N 3.32Å; H39-Y41 PolarHBondContact O-N 2.85Å; H39-Y42 PolarHBondContact O-N 3.42Å; H39-L43 WeakPolarHBondContact O-CB 3.49Å; H39-L43 PolarHBondContact O-N 3.25Å
40	K	82.9	Confident	75	Confident	77 Å²	77	85.5 Å²	85.5	34%	0.335	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-44	176.4	-175.5	175.3	177.5	179.3	0	110.9	D24 D38 L43 E44	D24-K40 WeakPolarHBondContact OD1-CA 3.4Å; D24-K40 WeakPolarHBondContact OD1-CB 3.47Å; D24-K40 PolarHBondContact OD1-N 3.34Å; D38-K40 PolarHBondContact O-N 3.13Å; K40-L43 PolarHBondContact O-N 2.77Å; K40-E44 HydrophobicContact CG-CG 4.49Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.37Å; K40-E44 PolarHBondContact O-N 3Å
41	Y	86.6	Confident	77.1	Confident	117 Å²	117	75.5 Å²	75.5	46%	0.459	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-47.2	178.6	-179.3	-103.4	0	0	0	112.3	A37 D38 H39 L43 E44 I45 L209	A37-Y41 WeakPolarHBondContact O-CB 3.3Å; A37-Y41 PolarHBondContact O-N 2.7Å; A37-Y41 VanDerWaalsContact O-N 3.08Å; D38-Y41 WeakPolarHBondContact O-CB 3.48Å; D38-Y41 PolarHBondContact O-N 3.13Å; H39-Y41 VanDerWaalsContact C-N 3.32Å; H39-Y41 PolarHBondContact O-N 2.85Å; Y41-L43 PolarHBondContact O-N 2.91Å; Y41-E44 PolarHBondContact O-N 3.34Å; Y41-I45 HydrophobicContact CD1-CD1 3.78Å; Y41-I45 HydrophobicContact CE1-CD1 3.22Å; Y41-I45 HydrophobicContact CE1-CG1 4.33Å; Y41-I45 HydrophobicContact CE2-CD1 4.13Å; Y41-I45 HydrophobicContact CG-CD1 4.43Å; Y41-I45 VanDerWaalsContact CZ-CD1 3.43Å; Y41-I45 WeakPolarHBondContact O-CG1 3.21Å; Y41-I45 PolarHBondContact O-N 3.06Å; Y41-L209 HydrophobicContact CD2-CD1 3.66Å; Y41-L209 HydrophobicContact CD2-CG 4.36Å; Y41-L209 HydrophobicContact CE2-CD1 3.48Å; Y41-L209 VanDerWaalsContact CE2-CD1 3.48Å; Y41-L209 HydrophobicContact CE2-CG 4.09Å
42	Y	89.1	Confident	79.4	Confident	137 Å²	137	73.4 Å²	73.4	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.1	-69.4	-63.9	0	0	0	112.7	D38 H39 I45 F46	D38-Y42 HydrophobicContact CB-CE2 4.15Å; D38-Y42 WeakPolarHBondContact O-CD2 3.42Å; D38-Y42 PolarHBondContact O-N 2.99Å; H39-Y42 PolarHBondContact O-N 3.42Å; Y42-I45 PolarHBondContact O-N 3.07Å; Y42-F46 WeakPolarHBondContact O-CB 3.4Å; Y42-F46 PolarHBondContact O-N 3.18Å
43	L	90.4	Very high	81.7	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-44.4	174.5	176	62.4	0	0	0	111.3	L20 P21 D24 H39 K40 Y41 F46 L47	L20-L43 HydrophobicContact CB-CD1 3.87Å; P21-L43 HydrophobicContact CG-CD1 3.84Å; D24-L43 HydrophobicContact CB-CD2 3.77Å; H39-L43 WeakPolarHBondContact O-CB 3.49Å; H39-L43 PolarHBondContact O-N 3.25Å; K40-L43 PolarHBondContact O-N 2.77Å; Y41-L43 PolarHBondContact O-N 2.91Å; L43-F46 PolarHBondContact O-N 3.47Å; L43-L47 HydrophobicContact CD1-CD1 4.11Å; L43-L47 HydrophobicContact CD1-CG 4.14Å; L43-L47 HydrophobicContact CG-CD1 4.03Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.26Å; L43-L47 PolarHBondContact O-N 3.11Å
44	E	91.6	Very high	83.7	Confident	4 Å²	4	59 Å²	59	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-41.3	179.7	-70.8	-173.4	144.1	0	0	112.6	K40 Y41 F46 L47 I48 S207 L209 K213	K40-E44 HydrophobicContact CG-CG 4.49Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.37Å; K40-E44 PolarHBondContact O-N 3Å; Y41-E44 PolarHBondContact O-N 3.34Å; E44-F46 VanDerWaalsContact C-N 3.35Å; E44-L47 PolarHBondContact O-N 3.41Å; E44-I48 WeakPolarHBondContact O-CB 3.22Å; E44-I48 VanDerWaalsContact O-CG1 3.25Å; E44-I48 WeakPolarHBondContact O-CG1 3.35Å; E44-I48 PolarHBondContact O-N 3.45Å; E44-S207 PolarHBondContact OE1-OG 3.36Å; E44-S207 VanDerWaalsContact OE1-OG 3.07Å; E44-S207 VanDerWaalsContact OE2-CB 3.29Å; E44-S207 WeakPolarHBondContact OE2-CB 3.29Å; E44-S207 PolarHBondContact OE2-OG 3.13Å; E44-L209 HydrophobicContact CB-CB 4.21Å; E44-L209 HydrophobicContact CB-CD1 4.21Å; E44-K213 HydrophobicContact CB-CD 4.43Å; E44-K213 HydrophobicContact CG-CD 3.94Å; E44-K213 IonicContact OE1-NZ 2.74Å; E44-K213 PolarHBondContact OE1-NZ 3.42Å
45	I	92.7	Very high	85.9	Confident	71 Å²	71	51.5 Å²	51.5	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-46.9	173.2	-71.2	176.4	0	0	0	110.9	Y41 Y42 L47 I48 S49 L209	Y41-I45 HydrophobicContact CD1-CD1 3.78Å; Y41-I45 HydrophobicContact CE1-CD1 3.22Å; Y41-I45 HydrophobicContact CE1-CG1 4.33Å; Y41-I45 HydrophobicContact CE2-CD1 4.13Å; Y41-I45 HydrophobicContact CG-CD1 4.43Å; Y41-I45 VanDerWaalsContact CZ-CD1 3.43Å; Y41-I45 WeakPolarHBondContact O-CG1 3.21Å; Y41-I45 PolarHBondContact O-N 3.06Å; Y42-I45 PolarHBondContact O-N 3.07Å; I45-L47 PolarHBondContact O-N 3.38Å; I45-I48 PolarHBondContact O-N 3.3Å; I45-S49 WeakPolarHBondContact O-CB 3.37Å; I45-S49 PolarHBondContact O-N 3.25Å; I45-L209 HydrophobicContact CD1-CD1 4.34Å; I45-L209 HydrophobicContact CG1-CD1 3.55Å
46	F	93.3	Very high	88.1	Confident	36 Å²	36	51 Å²	51	16%	0.158	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-45.5	179.9	174.5	-102.7	0	0	0	111.6	F16 L20 Y42 L43 E44 S49 Q50	F16-F46 HydrophobicContact CB-CD2 4.16Å; F16-F46 HydrophobicContact CB-CE1 4.4Å; F16-F46 HydrophobicContact CB-CE2 3.38Å; F16-F46 HydrophobicContact CB-CZ 3.5Å; F16-F46 HydrophobicContact CG-CE2 4.22Å; L20-F46 HydrophobicContact CD1-CB 3.52Å; L20-F46 HydrophobicContact CD1-CD1 3.77Å; L20-F46 HydrophobicContact CD1-CD2 3.88Å; L20-F46 HydrophobicContact CD1-CE1 4.41Å; L20-F46 HydrophobicContact CD1-CG 3.43Å; L20-F46 VanDerWaalsContact CD1-CG 3.43Å; Y42-F46 WeakPolarHBondContact O-CB 3.4Å; Y42-F46 PolarHBondContact O-N 3.18Å; L43-F46 PolarHBondContact O-N 3.47Å; E44-F46 VanDerWaalsContact C-N 3.35Å; F46-S49 WeakPolarHBondContact O-CB 3.25Å; F46-S49 PolarHBondContact O-N 3.03Å; F46-Q50 HydrophobicContact CD1-CG 4.47Å; F46-Q50 HydrophobicContact CE1-CG 4.1Å; F46-Q50 HydrophobicContact CE2-CG 4.31Å; F46-Q50 VanDerWaalsContact CZ-CD 3.49Å; F46-Q50 HydrophobicContact CZ-CG 4.04Å; F46-Q50 WeakPolarHBondContact O-CG 3.43Å; F46-Q50 PolarHBondContact O-N 2.87Å
47	L	93.7	Very high	90	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-45.2	177	-70.2	172.4	0	0	0	111.9	L43 E44 I45 S49 Q50 Y51	L43-L47 HydrophobicContact CD1-CD1 4.11Å; L43-L47 HydrophobicContact CD1-CG 4.14Å; L43-L47 HydrophobicContact CG-CD1 4.03Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 VanDerWaalsContact O-CG 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.26Å; L43-L47 PolarHBondContact O-N 3.11Å; E44-L47 PolarHBondContact O-N 3.41Å; I45-L47 PolarHBondContact O-N 3.38Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.5Å; L47-Q50 WeakPolarHBondContact O-CB 3.45Å; L47-Q50 PolarHBondContact O-N 2.89Å; L47-Y51 HydrophobicContact CB-CE2 4.09Å; L47-Y51 WeakPolarHBondContact O-CD1 3.35Å; L47-Y51 VanDerWaalsContact O-CD2 3.29Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 PolarHBondContact O-N 3.2Å
48	I	94.9	Very high	91.8	Very high	29 Å²	29	45.1 Å²	45.1	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-45.4	175.4	-71.4	166.3	0	0	0	110.4	E44 I45 Q50 Y51 C52 L209 K213 I216	E44-I48 WeakPolarHBondContact O-CB 3.22Å; E44-I48 VanDerWaalsContact O-CG1 3.25Å; E44-I48 WeakPolarHBondContact O-CG1 3.35Å; E44-I48 PolarHBondContact O-N 3.45Å; I45-I48 PolarHBondContact O-N 3.3Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.3Å; I48-Y51 PolarHBondContact O-N 3.06Å; I48-C52 WeakPolarHBondContact O-CB 3.48Å; I48-C52 PolarHBondContact O-N 2.88Å; I48-C52 PolarHBondContact O-SG 3.24Å; I48-C52 VanDerWaalsContact O-SG 3.34Å; I48-L209 HydrophobicContact CD1-CB 4.18Å; I48-L209 HydrophobicContact CD1-CD2 4.3Å; I48-K213 HydrophobicContact CD1-CB 4.1Å; I48-K213 HydrophobicContact CG1-CB 3.97Å; I48-K213 HydrophobicContact CG1-CG 4.37Å; I48-I216 HydrophobicContact CG2-CD1 3.81Å
49	S	93.8	Very high	93	Very high	78 Å²	78	43.4 Å²	43.4	55%	0.545	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-43.4	176.9	-179.6	0	0	0	0	111.9	I45 F46 L47 G53	I45-S49 WeakPolarHBondContact O-CB 3.37Å; I45-S49 PolarHBondContact O-N 3.25Å; F46-S49 WeakPolarHBondContact O-CB 3.25Å; F46-S49 PolarHBondContact O-N 3.03Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.5Å; S49-G53 PolarHBondContact O-N 2.94Å
50	Q	94.1	Very high	93.7	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-46.7	175.3	-74.8	-173.6	-35.2	0	0	112.3	F46 L47 I48 G53 A54 I253	F46-Q50 HydrophobicContact CD1-CG 4.47Å; F46-Q50 HydrophobicContact CE1-CG 4.1Å; F46-Q50 HydrophobicContact CE2-CG 4.31Å; F46-Q50 VanDerWaalsContact CZ-CD 3.49Å; F46-Q50 HydrophobicContact CZ-CG 4.04Å; F46-Q50 WeakPolarHBondContact O-CG 3.43Å; F46-Q50 PolarHBondContact O-N 2.87Å; L47-Q50 WeakPolarHBondContact O-CB 3.45Å; L47-Q50 PolarHBondContact O-N 2.89Å; I48-Q50 VanDerWaalsContact C-N 3.34Å; I48-Q50 PolarHBondContact O-N 3.3Å; Q50-G53 PolarHBondContact O-N 2.93Å; Q50-A54 WeakPolarHBondContact O-CB 3.49Å; Q50-A54 PolarHBondContact O-N 3.41Å; Q50-I253 HydrophobicContact CB-CG1 4.41Å; Q50-I253 HydrophobicContact CB-CG2 4.41Å
51	Y	96.2	Very high	94.3	Very high	6 Å²	6	41.2 Å²	41.2	2%	0.024	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-42.5	-178.7	-54.9	-26.8	0	0	0	111.8	L47 I48 A54 I55 K213 I216 R217 W220 H257	L47-Y51 HydrophobicContact CB-CE2 4.09Å; L47-Y51 WeakPolarHBondContact O-CD1 3.35Å; L47-Y51 VanDerWaalsContact O-CD2 3.29Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 PolarHBondContact O-N 3.2Å; I48-Y51 PolarHBondContact O-N 3.06Å; Y51-A54 WeakPolarHBondContact O-CB 3.32Å; Y51-A54 PolarHBondContact O-N 2.94Å; Y51-I55 VanDerWaalsContact O-CG1 3.32Å; Y51-I55 WeakPolarHBondContact O-CG1 3.48Å; Y51-I55 PolarHBondContact O-N 3.29Å; Y51-K213 HydrophobicContact CE2-CG 4.34Å; Y51-I216 HydrophobicContact CD2-CG2 4.39Å; Y51-I216 HydrophobicContact CG-CG2 4.49Å; Y51-R217 HydrophobicContact CD2-CB 4.06Å; Y51-R217 HydrophobicContact CE2-CB 3.82Å; Y51-R217 HydrophobicContact CE2-CG 4.14Å; Y51-W220 HydrophobicContact CD1-CD2 4.06Å; Y51-W220 AromaticContact CD1-CE3 3.28Å; Y51-W220 HydrophobicContact CD1-CE3 3.28Å; Y51-W220 HydrophobicContact CD1-CH2 4.33Å; Y51-W220 AromaticContact CD1-CZ3 3.45Å; Y51-W220 HydrophobicContact CD1-CZ3 3.45Å; Y51-W220 VanDerWaalsContact CD1-CZ3 3.45Å; Y51-W220 AromaticContact CE1-CE3 3.63Å; Y51-W220 HydrophobicContact CE1-CE3 3.63Å; Y51-W220 HydrophobicContact CE1-CH2 4.27Å; Y51-W220 AromaticContact CE1-CZ3 3.34Å; Y51-W220 HydrophobicContact CE1-CZ3 3.34Å; Y51-W220 AromaticContact CG-CE3 3.96Å; Y51-W220 HydrophobicContact CG-CE3 3.96Å; Y51-W220 HydrophobicContact CG-CZ3 4.5Å; Y51-H257 PolarHBondContact OH-CD2 3.3Å
52	C	96.8	Very high	94.7	Very high	50 Å²	50	37.1 Å²	37.1	34%	0.338	20%	0.199	S	C	.	.	H	α-helix	trans	-60.7	-45	173.3	-71.4	0	0	0	0	111.5	I48 A54 I55 L56	I48-C52 WeakPolarHBondContact O-CB 3.48Å; I48-C52 PolarHBondContact O-N 2.88Å; I48-C52 PolarHBondContact O-SG 3.24Å; I48-C52 VanDerWaalsContact O-SG 3.34Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.46Å; C52-I55 PolarHBondContact O-N 3.33Å; C52-L56 WeakPolarHBondContact O-CG 3.33Å; C52-L56 PolarHBondContact O-N 2.94Å
53	G	95.1	Very high	94.9	Very high	20 Å²	20	37.5 Å²	37.5	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-42.7	174.6	0	0	0	0	0	112.5	S49 Q50 L56 V57	S49-G53 PolarHBondContact O-N 2.94Å; Q50-G53 PolarHBondContact O-N 2.93Å; G53-L56 PolarHBondContact O-N 3.34Å; G53-V57 WeakPolarHBondContact O-CB 3.3Å; G53-V57 WeakPolarHBondContact O-CG2 3.26Å; G53-V57 PolarHBondContact O-N 3.26Å
54	A	96.7	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-46	176.4	0	0	0	0	0	112.2	Q50 Y51 C52 V57 L58 W220 L250 I253	Q50-A54 WeakPolarHBondContact O-CB 3.49Å; Q50-A54 PolarHBondContact O-N 3.41Å; Y51-A54 WeakPolarHBondContact O-CB 3.32Å; Y51-A54 PolarHBondContact O-N 2.94Å; C52-A54 VanDerWaalsContact C-N 3.32Å; C52-A54 PolarHBondContact O-N 3.46Å; A54-V57 PolarHBondContact O-N 3.43Å; A54-L58 WeakPolarHBondContact O-CB 3.47Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.03Å; A54-W220 VanDerWaalsContact CB-CD1 3.5Å; A54-W220 HydrophobicContact CB-CD2 4.38Å; A54-W220 HydrophobicContact CB-CG 4.15Å; A54-W220 VanDerWaalsContact CB-NE1 3.35Å; A54-L250 HydrophobicContact CB-CD2 4Å; A54-I253 HydrophobicContact CB-CD1 3.68Å
55	I	97.6	Very high	95	Very high	29 Å²	29	37.5 Å²	37.5	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-46.9	177.6	-68.5	164.1	0	0	0	110.6	Y51 C52 V57 L58 A59 I216 V219 W220 W223	Y51-I55 VanDerWaalsContact O-CG1 3.32Å; Y51-I55 WeakPolarHBondContact O-CG1 3.48Å; Y51-I55 PolarHBondContact O-N 3.29Å; C52-I55 PolarHBondContact O-N 3.33Å; I55-V57 VanDerWaalsContact C-N 3.32Å; I55-V57 PolarHBondContact O-N 3.23Å; I55-L58 PolarHBondContact O-N 3.14Å; I55-A59 WeakPolarHBondContact O-CB 3.42Å; I55-A59 PolarHBondContact O-N 3.49Å; I55-I216 HydrophobicContact CD1-CG2 4.02Å; I55-V219 HydrophobicContact CD1-CB 4.35Å; I55-V219 HydrophobicContact CD1-CG1 3.95Å; I55-W220 HydrophobicContact CD1-CB 4.02Å; I55-W220 HydrophobicContact CG1-CB 3.86Å; I55-W223 HydrophobicContact CG2-CE3 4.02Å; I55-W223 HydrophobicContact CG2-CZ3 4Å
56	L	96.9	Very high	94.8	Very high	128 Å²	128	41.2 Å²	41.2	67%	0.67	21%	0.211	S	C	*	.	H	α-helix	trans	-60.3	-41.9	177.5	-71.4	173.1	0	0	0	111.9	C52 G53 A59 Y60	C52-L56 WeakPolarHBondContact O-CG 3.33Å; C52-L56 PolarHBondContact O-N 2.94Å; G53-L56 PolarHBondContact O-N 3.34Å; L56-A59 PolarHBondContact O-N 2.88Å; L56-Y60 WeakPolarHBondContact O-CB 3.5Å; L56-Y60 PolarHBondContact O-N 3.21Å
57	V	96.5	Very high	94.6	Very high	29 Å²	29	40.5 Å²	40.5	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-41.2	177.1	167.2	0	0	0	0	111.8	G53 A54 I55 Y60 L61 S246 L250	G53-V57 WeakPolarHBondContact O-CB 3.3Å; G53-V57 WeakPolarHBondContact O-CG2 3.26Å; G53-V57 PolarHBondContact O-N 3.26Å; A54-V57 PolarHBondContact O-N 3.43Å; I55-V57 VanDerWaalsContact C-N 3.32Å; I55-V57 PolarHBondContact O-N 3.23Å; V57-Y60 PolarHBondContact O-N 3.4Å; V57-L61 HydrophobicContact CG1-CD1 4.16Å; V57-L61 HydrophobicContact CG1-CG 4.45Å; V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 WeakPolarHBondContact O-CG 3.28Å; V57-L61 PolarHBondContact O-N 3.11Å; V57-S246 WeakPolarHBondContact CG1-OG 3.5Å; V57-L250 HydrophobicContact CG1-CD1 3.93Å; V57-L250 HydrophobicContact CG1-CD2 4.41Å; V57-L250 HydrophobicContact CG1-CG 4.02Å
58	L	97.1	Very high	94.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-43.7	175.1	-73	168.5	0	0	0	111.6	A54 I55 L61 Q62 W223 Q224 F227 L250 F362	A54-L58 WeakPolarHBondContact O-CB 3.47Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.44Å; A54-L58 PolarHBondContact O-N 3.03Å; I55-L58 PolarHBondContact O-N 3.14Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-Q62 WeakPolarHBondContact O-CG 3.43Å; L58-Q62 PolarHBondContact O-N 3.48Å; L58-W223 HydrophobicContact CD1-CB 4.34Å; L58-W223 HydrophobicContact CD1-CG 4.43Å; L58-Q224 HydrophobicContact CD1-CB 3.95Å; L58-F227 HydrophobicContact CD2-CB 3.83Å; L58-F227 HydrophobicContact CD2-CD1 3.99Å; L58-F227 HydrophobicContact CD2-CD2 4.09Å; L58-F227 HydrophobicContact CD2-CG 3.69Å; L58-L250 HydrophobicContact CD2-CD1 3.9Å; L58-L250 HydrophobicContact CD2-CD2 4.35Å; L58-L250 HydrophobicContact CG-CD1 4.4Å; L58-L250 HydrophobicContact CG-CD2 4.12Å; L58-F362 HydrophobicContact CD2-CZ 4.3Å
59	A	96.6	Very high	93.6	Very high	35 Å²	35	39.9 Å²	39.9	29%	0.289	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-44.2	175.3	0	0	0	0	0	111.4	I55 L56 Q62 Y63 W223	I55-A59 WeakPolarHBondContact O-CB 3.42Å; I55-A59 PolarHBondContact O-N 3.49Å; L56-A59 PolarHBondContact O-N 2.88Å; A59-Q62 PolarHBondContact O-N 3.33Å; A59-Y63 WeakPolarHBondContact O-CB 3.42Å; A59-Y63 PolarHBondContact O-N 2.97Å; A59-W223 HydrophobicContact CB-CH2 4.26Å; A59-W223 HydrophobicContact CB-CZ2 4.13Å
60	Y	95.8	Very high	93.2	Very high	73 Å²	73	42.5 Å²	42.5	29%	0.286	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-45.4	175.6	176.6	-103.5	0	0	0	112.5	L56 V57 Q62 Y63 L64 T242	L56-Y60 WeakPolarHBondContact O-CB 3.5Å; L56-Y60 PolarHBondContact O-N 3.21Å; V57-Y60 PolarHBondContact O-N 3.4Å; Y60-Q62 PolarHBondContact O-N 3.45Å; Y60-Y63 WeakPolarHBondContact O-CB 3.32Å; Y60-Y63 PolarHBondContact O-N 2.86Å; Y60-L64 HydrophobicContact CD1-CD1 4.06Å; Y60-L64 HydrophobicContact CD1-CG 4.44Å; Y60-L64 HydrophobicContact CE1-CD1 3.36Å; Y60-L64 HydrophobicContact CE1-CG 3.97Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.38Å; Y60-L64 HydrophobicContact CE2-CG 4.26Å; Y60-L64 WeakPolarHBondContact O-CG 3.16Å; Y60-L64 PolarHBondContact O-N 3.46Å; Y60-T242 HydrophobicContact CD1-CG2 4.32Å; Y60-T242 HydrophobicContact CE1-CG2 3.46Å; Y60-T242 VanDerWaalsContact CE1-CG2 3.46Å
61	L	95.1	Very high	92.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-44	176.8	-73.5	173.1	0	0	0	111.5	V57 L58 L64 I65 F227 L236 V243 Y247 L250	V57-L61 HydrophobicContact CG1-CD1 4.16Å; V57-L61 HydrophobicContact CG1-CG 4.45Å; V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 WeakPolarHBondContact O-CG 3.28Å; V57-L61 PolarHBondContact O-N 3.11Å; L58-L61 PolarHBondContact O-N 3.33Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.98Å; L61-F227 HydrophobicContact CB-CE2 3.74Å; L61-F227 HydrophobicContact CB-CZ 3.97Å; L61-F227 HydrophobicContact CD1-CE1 4.43Å; L61-F227 HydrophobicContact CD1-CE2 4.34Å; L61-F227 HydrophobicContact CD1-CZ 3.89Å; L61-L236 HydrophobicContact CD2-CD1 4.02Å; L61-V243 HydrophobicContact CD2-CG1 4.37Å; L61-V243 HydrophobicContact CD2-CG2 4.43Å; L61-Y247 HydrophobicContact CD1-CD1 4.28Å; L61-Y247 HydrophobicContact CD1-CE1 3.98Å; L61-Y247 HydrophobicContact CD2-CE1 4.43Å; L61-L250 HydrophobicContact CD1-CD1 3.83Å
62	Q	94.2	Very high	91.8	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-39.9	175.7	-74.3	-178.1	-23.6	0	0	112.5	L58 A59 Y60 L64 I65 Y66 W223 F227 Y231	L58-Q62 WeakPolarHBondContact O-CG 3.43Å; L58-Q62 PolarHBondContact O-N 3.48Å; A59-Q62 PolarHBondContact O-N 3.33Å; Y60-Q62 PolarHBondContact O-N 3.45Å; Q62-L64 VanDerWaalsContact C-N 3.35Å; Q62-L64 PolarHBondContact O-N 3.35Å; Q62-I65 PolarHBondContact O-N 2.95Å; Q62-Y66 WeakPolarHBondContact O-CB 3.23Å; Q62-Y66 PolarHBondContact O-N 2.83Å; Q62-W223 VanDerWaalsContact NE2-NE1 3.12Å; Q62-F227 HydrophobicContact CG-CD2 3.78Å; Q62-F227 HydrophobicContact CG-CE2 4.11Å; Q62-Y231 HydrophobicContact CG-CD2 4.39Å; Q62-Y231 HydrophobicContact CG-CE2 3.94Å
63	Y	93.9	Very high	91	Very high	144 Å²	144	47.4 Å²	47.4	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-59.8	-44.1	173.3	171	-96.4	0	0	0	111.7	A59 Y60 I65 Y66 S67	A59-Y63 WeakPolarHBondContact O-CB 3.42Å; A59-Y63 PolarHBondContact O-N 2.97Å; Y60-Y63 WeakPolarHBondContact O-CB 3.32Å; Y60-Y63 PolarHBondContact O-N 2.86Å; Y63-I65 VanDerWaalsContact C-N 3.34Å; Y63-I65 PolarHBondContact O-N 2.91Å; Y63-Y66 PolarHBondContact O-N 2.9Å; Y63-S67 VanDerWaalsContact O-CB 3.29Å; Y63-S67 WeakPolarHBondContact O-CB 3.4Å; Y63-S67 PolarHBondContact O-N 3.49Å
64	L	92.9	Very high	90.4	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-41.4	175.6	-74.3	-177	0	0	0	112.2	Y60 L61 Q62 G68 L236 V243	Y60-L64 HydrophobicContact CD1-CD1 4.06Å; Y60-L64 HydrophobicContact CD1-CG 4.44Å; Y60-L64 HydrophobicContact CE1-CD1 3.36Å; Y60-L64 HydrophobicContact CE1-CG 3.97Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.38Å; Y60-L64 HydrophobicContact CE2-CG 4.26Å; Y60-L64 WeakPolarHBondContact O-CG 3.16Å; Y60-L64 PolarHBondContact O-N 3.46Å; L61-L64 PolarHBondContact O-N 3.3Å; Q62-L64 VanDerWaalsContact C-N 3.35Å; Q62-L64 PolarHBondContact O-N 3.35Å; L64-G68 PolarHBondContact O-N 2.78Å; L64-L236 HydrophobicContact CB-CD1 4.08Å; L64-L236 HydrophobicContact CB-CD2 4.36Å; L64-L236 HydrophobicContact CD1-CD1 4.35Å; L64-V243 HydrophobicContact CD1-CG2 3.9Å
65	I	90.4	Very high	89.5	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-51.6	175.5	-64.7	166.7	0	0	0	109.6	L61 Q62 Y63 S67 G68 T69 I164 F227 Y231 V234 L236	L61-I65 VanDerWaalsContact O-CG1 3.28Å; L61-I65 WeakPolarHBondContact O-CG1 3.48Å; L61-I65 PolarHBondContact O-N 2.98Å; Q62-I65 PolarHBondContact O-N 2.95Å; Y63-I65 VanDerWaalsContact C-N 3.34Å; Y63-I65 PolarHBondContact O-N 2.91Å; I65-S67 PolarHBondContact O-N 2.95Å; I65-G68 PolarHBondContact O-N 2.97Å; I65-T69 HydrophobicContact CG2-CG2 4.36Å; I65-T69 VanDerWaalsContact O-CG2 3.29Å; I65-T69 WeakPolarHBondContact O-CG2 3.39Å; I65-T69 PolarHBondContact O-N 2.94Å; I65-T69 PolarHBondContact O-OG1 3.27Å; I65-I164 HydrophobicContact CG2-CD1 4.43Å; I65-I164 WeakPolarHBondContact O-CD1 3.28Å; I65-F227 HydrophobicContact CD1-CE2 3.96Å; I65-F227 HydrophobicContact CD1-CZ 4.32Å; I65-Y231 HydrophobicContact CD1-CD1 3.63Å; I65-Y231 HydrophobicContact CD1-CD2 4.14Å; I65-Y231 HydrophobicContact CD1-CE1 4.17Å; I65-Y231 HydrophobicContact CD1-CG 3.59Å; I65-Y231 HydrophobicContact CG2-CD1 3.94Å; I65-Y231 HydrophobicContact CG2-CE1 3.69Å; I65-V234 HydrophobicContact CD1-CG1 4.36Å; I65-V234 HydrophobicContact CG1-CG1 4.13Å; I65-V234 HydrophobicContact CG2-CG1 4.47Å; I65-L236 HydrophobicContact CG1-CD1 4.04Å; I65-L236 HydrophobicContact CG1-CD2 3.73Å; I65-L236 HydrophobicContact CG1-CG 4.16Å
66	Y	89.5	Confident	88.3	Confident	148 Å²	148	56 Å²	56	58%	0.58	26%	0.26	S	S	*	.	H	α-helix	trans	-59.7	-43.8	178.6	175.7	-97.6	0	0	0	113	Q62 Y63 T69 K70	Q62-Y66 WeakPolarHBondContact O-CB 3.23Å; Q62-Y66 PolarHBondContact O-N 2.83Å; Y63-Y66 PolarHBondContact O-N 2.9Å; Y66-T69 PolarHBondContact O-OG1 3.46Å; Y66-K70 WeakPolarHBondContact O-CB 3.46Å; Y66-K70 PolarHBondContact O-N 3.38Å; Y66-K70 VanDerWaalsContact O-N 3.1Å
67	S	88.7	Confident	87.4	Confident	21 Å²	21	53.1 Å²	53.1	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.1	-174.4	0	0	0	0	111.8	Y63 I65 K71	Y63-S67 VanDerWaalsContact O-CB 3.29Å; Y63-S67 WeakPolarHBondContact O-CB 3.4Å; Y63-S67 PolarHBondContact O-N 3.49Å; I65-S67 PolarHBondContact O-N 2.95Å; S67-K71 WeakPolarHBondContact O-CG 3.29Å; S67-K71 PolarHBondContact O-N 2.96Å
68	G	85.6	Confident	86.5	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-38.6	179.8	0	0	0	0	0	112.9	L64 I65 K71 Q72	L64-G68 PolarHBondContact O-N 2.78Å; I65-G68 PolarHBondContact O-N 2.97Å; G68-K71 PolarHBondContact O-N 2.89Å; G68-Q72 PolarHBondContact O-N 2.89Å
69	T	82.7	Confident	85.4	Confident	20 Å²	20	60.4 Å²	60.4	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-44.7	175.8	55.9	0	0	0	0	111.1	I65 Y66 K71 Q72 I73 L140 I144 I164	I65-T69 HydrophobicContact CG2-CG2 4.36Å; I65-T69 VanDerWaalsContact O-CG2 3.29Å; I65-T69 WeakPolarHBondContact O-CG2 3.39Å; I65-T69 PolarHBondContact O-N 2.94Å; I65-T69 PolarHBondContact O-OG1 3.27Å; Y66-T69 PolarHBondContact O-OG1 3.46Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 3.29Å; T69-Q72 PolarHBondContact O-N 2.82Å; T69-I73 VanDerWaalsContact O-CG1 3.26Å; T69-I73 WeakPolarHBondContact O-CG1 3.22Å; T69-I73 PolarHBondContact O-N 3Å; T69-L140 HydrophobicContact CG2-CD1 3.47Å; T69-L140 VanDerWaalsContact CG2-CD1 3.47Å; T69-I144 HydrophobicContact CG2-CD1 4.49Å; T69-I164 HydrophobicContact CG2-CD1 3.73Å
70	K	85	Confident	84.4	Confident	134 Å²	134	63.7 Å²	63.7	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-58.9	-41.3	175.8	-173.1	174.5	-176.8	173.5	0	112.1	Y66 K74	Y66-K70 WeakPolarHBondContact O-CB 3.46Å; Y66-K70 PolarHBondContact O-N 3.38Å; Y66-K70 VanDerWaalsContact O-N 3.1Å; K70-K74 WeakPolarHBondContact O-CB 3.25Å; K70-K74 PolarHBondContact O-N 2.65Å
71	K	83.5	Confident	83.5	Confident	79 Å²	79	65.5 Å²	65.5	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-44.7	176.7	-78.3	-174.1	173.6	-164	0	112.7	S67 G68 T69 I73 K74 Q75 Y163	S67-K71 WeakPolarHBondContact O-CG 3.29Å; S67-K71 PolarHBondContact O-N 2.96Å; G68-K71 PolarHBondContact O-N 2.89Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 3.29Å; K71-I73 VanDerWaalsContact C-N 3.35Å; K71-I73 PolarHBondContact O-N 3.41Å; K71-K74 PolarHBondContact O-N 2.97Å; K71-Q75 WeakPolarHBondContact O-CG 3.35Å; K71-Q75 PolarHBondContact O-N 3.34Å; K71-Y163 HydrophobicContact CD-CD1 4.4Å; K71-Y163 HydrophobicContact CD-CE1 4.11Å
72	Q	78.2	Confident	82.5	Confident	7 Å²	7	68.4 Å²	68.4	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-42	176.6	-81.2	-176.6	-28.9	0	0	112.2	G68 T69 Q75 K76 Y147 Y163 I164	G68-Q72 PolarHBondContact O-N 2.89Å; T69-Q72 PolarHBondContact O-N 2.82Å; Q72-Q75 PolarHBondContact O-N 3.2Å; Q72-K76 WeakPolarHBondContact O-CB 3.06Å; Q72-K76 PolarHBondContact O-N 3.1Å; Q72-Y147 HydrophobicContact CG-CE1 4.24Å; Q72-Y163 HydrophobicContact CG-CD2 4.37Å; Q72-I164 VanDerWaalsContact NE2-N 3.12Å; Q72-I164 PolarHBondContact NE2-O 2.94Å
73	I	78.9	Confident	81.5	Confident	81 Å²	81	74 Å²	74	42%	0.415	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-47.3	174.5	-67.8	165.5	0	0	0	110	T69 K71 Q75 K76 T77 L143	T69-I73 VanDerWaalsContact O-CG1 3.26Å; T69-I73 WeakPolarHBondContact O-CG1 3.22Å; T69-I73 PolarHBondContact O-N 3Å; K71-I73 VanDerWaalsContact C-N 3.35Å; K71-I73 PolarHBondContact O-N 3.41Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.4Å; I73-K76 PolarHBondContact O-N 3.49Å; I73-T77 PolarHBondContact O-N 3.15Å; I73-T77 PolarHBondContact O-OG1 3.03Å; I73-T77 VanDerWaalsContact O-OG1 3.06Å; I73-L143 HydrophobicContact CD1-CD1 4.46Å
74	K	82	Confident	80.1	Confident	146 Å²	146	71 Å²	71	64%	0.635	35%	0.349	S	S	*	.	H	α-helix	trans	-59.1	-43.5	176.7	-172.3	178.5	179.8	-179.4	0	112.2	K70 K71 T77 I78	K70-K74 WeakPolarHBondContact O-CB 3.25Å; K70-K74 PolarHBondContact O-N 2.65Å; K71-K74 PolarHBondContact O-N 2.97Å; K74-T77 PolarHBondContact O-N 2.82Å; K74-I78 HydrophobicContact CG-CD1 4Å; K74-I78 VanDerWaalsContact O-CG1 3.25Å; K74-I78 WeakPolarHBondContact O-CG1 3.41Å; K74-I78 PolarHBondContact O-N 3Å
75	Q	78.5	Confident	78.6	Confident	49 Å²	49	77.7 Å²	77.7	23%	0.229	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-41	176.8	-76.5	-175.4	-34	0	0	112	K71 Q72 I73 I78 H79 Y147 E160	K71-Q75 WeakPolarHBondContact O-CG 3.35Å; K71-Q75 PolarHBondContact O-N 3.34Å; Q72-Q75 PolarHBondContact O-N 3.2Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.4Å; Q75-I78 PolarHBondContact O-N 2.72Å; Q75-H79 WeakPolarHBondContact O-CB 3.27Å; Q75-H79 PolarHBondContact O-N 2.94Å; Q75-Y147 PolarHBondContact OE1-OH 3.47Å; Q75-E160 PolarHBondContact NE2-OE2 2.99Å
76	K	72.3	Confident	76.9	Confident	35 Å²	35	81.3 Å²	81.3	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-62.7	-47.2	176	-168.6	177.9	-175.4	-174	0	111.7	Q72 I73 I78 H79 E80 Y147	Q72-K76 WeakPolarHBondContact O-CB 3.06Å; Q72-K76 PolarHBondContact O-N 3.1Å; I73-K76 PolarHBondContact O-N 3.49Å; K76-I78 VanDerWaalsContact C-N 3.31Å; K76-I78 PolarHBondContact O-N 2.72Å; K76-H79 PolarHBondContact O-N 3.44Å; K76-E80 WeakPolarHBondContact CE-OE1 3.26Å; K76-E80 IonicContact NZ-OE1 3.6Å; K76-E80 WeakPolarHBondContact O-CG 3.24Å; K76-E80 PolarHBondContact O-N 2.96Å; K76-Y147 HydrophobicContact CB-CD2 4.28Å
77	T	77.4	Confident	74.9	Confident	67 Å²	67	76.2 Å²	76.2	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-39.7	177.1	-53.5	0	0	0	0	111.9	I73 K74 L81	I73-T77 PolarHBondContact O-N 3.15Å; I73-T77 PolarHBondContact O-OG1 3.03Å; I73-T77 VanDerWaalsContact O-OG1 3.06Å; K74-T77 PolarHBondContact O-N 2.82Å; T77-L81 HydrophobicContact CG2-CD1 3.95Å; T77-L81 WeakPolarHBondContact O-CB 3.04Å; T77-L81 WeakPolarHBondContact O-CD1 3.29Å; T77-L81 PolarHBondContact O-N 3.15Å
78	I	79	Confident	72.7	Confident	100 Å²	100	79 Å²	79	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-42.8	175.4	-68.5	165.9	0	0	0	111	K74 Q75 K76 L81 S82	K74-I78 HydrophobicContact CG-CD1 4Å; K74-I78 VanDerWaalsContact O-CG1 3.25Å; K74-I78 WeakPolarHBondContact O-CG1 3.41Å; K74-I78 PolarHBondContact O-N 3Å; Q75-I78 PolarHBondContact O-N 2.72Å; K76-I78 VanDerWaalsContact C-N 3.31Å; K76-I78 PolarHBondContact O-N 2.72Å; I78-L81 PolarHBondContact O-N 2.71Å; I78-S82 PolarHBondContact O-N 3.39Å; I78-S82 PolarHBondContact O-OG 3.28Å
79	H	72.8	Confident	70.7	Confident	82 Å²	82	85.7 Å²	85.7	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-66.7	-37.3	178.7	-174.1	-84.5	0	0	0	112.5	Q75 K76 S82 K83	Q75-H79 WeakPolarHBondContact O-CB 3.27Å; Q75-H79 PolarHBondContact O-N 2.94Å; K76-H79 PolarHBondContact O-N 3.44Å; H79-S82 WeakPolarHBondContact CA-OG 3.15Å; H79-S82 PolarHBondContact O-OG 3.06Å; H79-K83 WeakPolarHBondContact O-CB 3.13Å; H79-K83 PolarHBondContact O-N 3.38Å
80	E	76.4	Confident	68.7	Low	105 Å²	105	92 Å²	92	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-67.7	-40.9	173	-73.6	176.7	172.1	0	0	111.5	K76 K83 S84	K76-E80 WeakPolarHBondContact CE-OE1 3.26Å; K76-E80 IonicContact NZ-OE1 3.6Å; K76-E80 WeakPolarHBondContact O-CG 3.24Å; K76-E80 PolarHBondContact O-N 2.96Å; E80-K83 PolarHBondContact O-N 3.07Å; E80-S84 WeakPolarHBondContact O-CB 3.45Å; E80-S84 PolarHBondContact O-N 3.42Å
81	L	77.5	Confident	66.6	Low	111 Å²	111	90.9 Å²	90.9	58%	0.581	48%	0.479	S	S	*	.	H	α-helix	trans	-63.9	-41.1	173.3	-105.1	98.8	0	0	0	112.5	T77 I78 S84 K85	T77-L81 HydrophobicContact CG2-CD1 3.95Å; T77-L81 WeakPolarHBondContact O-CB 3.04Å; T77-L81 WeakPolarHBondContact O-CD1 3.29Å; T77-L81 PolarHBondContact O-N 3.15Å; I78-L81 PolarHBondContact O-N 2.71Å; L81-S84 PolarHBondContact O-N 2.91Å; L81-K85 PolarHBondContact O-N 3.27Å
82	S	74	Confident	64.6	Low	60 Å²	60	93.4 Å²	93.4	42%	0.42	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-41.4	178.7	65.3	0	0	0	0	111.3	I78 H79 S84 K85 T86	I78-S82 PolarHBondContact O-N 3.39Å; I78-S82 PolarHBondContact O-OG 3.28Å; H79-S82 WeakPolarHBondContact CA-OG 3.15Å; H79-S82 PolarHBondContact O-OG 3.06Å; S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 3.12Å; S82-K85 PolarHBondContact O-N 3.42Å; S82-T86 PolarHBondContact O-N 2.89Å; S82-T86 PolarHBondContact O-OG1 3.49Å
83	K	72.6	Confident	62.8	Low	151 Å²	151	100.7 Å²	100.7	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-62.3	-38.8	176.4	-168.4	175.4	-178.1	178.9	0	111.7	H79 E80 T86 G87	H79-K83 WeakPolarHBondContact O-CB 3.13Å; H79-K83 PolarHBondContact O-N 3.38Å; E80-K83 PolarHBondContact O-N 3.07Å; K83-T86 PolarHBondContact O-OG1 2.82Å; K83-G87 PolarHBondContact O-N 3.39Å; K83-G87 VanDerWaalsContact O-N 3.13Å
84	S	65.3	Low	60.9	Low	79 Å²	79	105.7 Å²	105.7	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-63.5	-45.3	174.3	-174.7	0	0	0	0	112.2	E80 L81 S82 G87 C88	E80-S84 WeakPolarHBondContact O-CB 3.45Å; E80-S84 PolarHBondContact O-N 3.42Å; L81-S84 PolarHBondContact O-N 2.91Å; S82-S84 VanDerWaalsContact C-N 3.3Å; S82-S84 PolarHBondContact O-N 3.12Å; S84-G87 PolarHBondContact O-N 2.77Å; S84-C88 PolarHBondContact O-N 3.22Å; S84-C88 VanDerWaalsContact O-N 3.15Å
85	K	60.4	Low	58.8	Low	149 Å²	149	107.5 Å²	107.5	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-62.1	-46.1	177.3	-89.1	-172.8	170.7	-170.3	0	113.6	L81 S82 G87 C88 E89	L81-K85 PolarHBondContact O-N 3.27Å; S82-K85 PolarHBondContact O-N 3.42Å; K85-G87 PolarHBondContact O-N 2.99Å; K85-C88 PolarHBondContact O-N 2.94Å; K85-E89 PolarHBondContact O-N 3.2Å; K85-E89 VanDerWaalsContact O-N 3.11Å
86	T	54.8	Low	56.5	Low	80 Å²	80	112.9 Å²	112.9	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-68.9	-20.2	176.2	38.6	0	0	0	0	113.7	S82 K83	S82-T86 PolarHBondContact O-N 2.89Å; S82-T86 PolarHBondContact O-OG1 3.49Å; K83-T86 PolarHBondContact O-OG1 2.82Å
87	G	47.3	Very low	54.6	Low	42 Å²	42	117.3 Å²	117.3	43%	0.433	62%	0.615	S	S	.	*	H	α-helix	trans	-77.6	-31.1	173.2	0	0	0	0	0	113.2	K83 S84 K85	K83-G87 PolarHBondContact O-N 3.39Å; K83-G87 VanDerWaalsContact O-N 3.13Å; S84-G87 PolarHBondContact O-N 2.77Å; K85-G87 PolarHBondContact O-N 2.99Å
88	C	43.3	Very low	52.6	Low	79 Å²	79	120.9 Å²	120.9	53%	0.534	63%	0.631	S	S	.	*	H	α-helix	trans	-79.6	-37.1	175.1	-77.4	0	0	0	0	112.6	S84 K85 L90 V91	S84-C88 PolarHBondContact O-N 3.22Å; S84-C88 VanDerWaalsContact O-N 3.15Å; K85-C88 PolarHBondContact O-N 2.94Å; C88-L90 PolarHBondContact O-N 3.38Å; C88-L90 VanDerWaalsContact O-N 3.17Å; C88-V91 PolarHBondContact O-N 2.84Å; C88-V91 VanDerWaalsContact O-N 3.15Å
89	E	43	Very low	50.4	Low	143 Å²	143	122.5 Å²	122.5	67%	0.668	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-12	178.7	-76.3	175.8	167.6	0	0	114.2	K85	K85-E89 PolarHBondContact O-N 3.2Å; K85-E89 VanDerWaalsContact O-N 3.11Å
90	L	39.6	Very low	48.6	Very low	153 Å²	153	126 Å²	126	80%	0.801	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-2.8	174.3	-102.4	126	0	0	0	114.3	C88	C88-L90 PolarHBondContact O-N 3.38Å; C88-L90 VanDerWaalsContact O-N 3.17Å
91	V	42.9	Very low	46.6	Very low	110 Å²	110	128.8 Å²	128.8	67%	0.667	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-22	178.9	178.7	0	0	0	0	112.2	C88	C88-V91 PolarHBondContact O-N 2.84Å; C88-V91 VanDerWaalsContact O-N 3.15Å
92	D	41	Very low	44.4	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-88.3	-5.2	-175.7	-77.9	-29.8	0	0	0	115.8	K94	D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 3.43Å
93	D	39.9	Very low	42.2	Very low	160 Å²	160	137 Å²	137	86%	0.856	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-86.2	15	178.5	-99.1	-12.2	0	0	0	114.6
94	K	39.8	Very low	40	Very low	186 Å²	186	137 Å²	137	81%	0.809	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-121.5	3.7	-178.7	-88.4	-173.2	179	178.9	0	117.5	D92	D92-K94 VanDerWaalsContact C-N 3.28Å; D92-K94 PolarHBondContact O-N 3.43Å
95	H	37.8	Very low	38.2	Very low	184 Å²	184	138.2 Å²	138.2	85%	0.852	71%	0.713	S	S	*	*			trans	-139.4	101.1	171.3	-89.5	-73.8	0	0	0	114.7
96	M	30.5	Very low	36.9	Very low	162 Å²	162	140.3 Å²	140.3	80%	0.798	73%	0.725	S	S	*	*			trans	-26.4	133.4	154.2	-127.5	-172	39.8	0	0	117.3
97	I	31.8	Very low	35.9	Very low	128 Å²	128	141.1 Å²	141.1	66%	0.656	73%	0.732	S	S	*	*			trans	70.9	118.3	145.3	-23.5	-173.3	0	0	0	120.7
98	I	35.1	Very low	35	Very low	143 Å²	143	146.9 Å²	146.9	73%	0.733	75%	0.752	S	S	*	*				150.7	114.5	114.5	-72.2	175.6	0	0	0	110.2
99	N	33.2	Very low	34.4	Very low	134 Å²	134	150 Å²	150	72%	0.717	76%	0.762	S	S	*	*			trans	39.6	142	141.2	-60	2.8	0	0	0	119.9
100	E	35.5	Very low	33.5	Very low	154 Å²	154	151.2 Å²	151.2	72%	0.72	77%	0.773	S	S	*	*			cis	-171.7	153.5	14.8	-117.2	175.5	137.1	0	0	107.7
101	H	32.8	Very low	33	Very low	165 Å²	165	150.7 Å²	150.7	76%	0.764	77%	0.768	S	S	*	*			trans	14.1	124.6	154.9	-60.5	-67	0	0	0	121.5
102	H	32	Very low	32.3	Very low	180 Å²	180	153.2 Å²	153.2	83%	0.833	77%	0.77	S	S	*	*				-171.7	135	101.5	-136.9	-71.2	0	0	0	113
103	E	28.1	Very low	31.7	Very low	164 Å²	164	155 Å²	155	77%	0.766	78%	0.778	S	S	*	*			trans	-63.4	148.2	169.8	-61	171.6	132.1	0	0	112.5
104	L	26.1	Very low	31.1	Very low	151 Å²	151	153.3 Å²	153.3	79%	0.791	77%	0.769	S	S	*	*				153.6	132.2	111.2	-150.2	80.5	0	0	0	112.6
105	S	26.9	Very low	30.6	Very low	104 Å²	104	154.2 Å²	154.2	73%	0.727	77%	0.769	S	S	*	*			trans	68.3	130.8	149.3	55.2	0	0	0	0	121.4
106	E	34.5	Very low	30.4	Very low	192 Å²	192	151.8 Å²	151.8	90%	0.897	76%	0.76	S	S	*	*			trans	-40.9	149.7	171.4	-61.2	-175.8	141.9	0	0	113.8
107	P	32.2	Very low	30.2	Very low	98 Å²	98	150.1 Å²	150.1	64%	0.636	75%	0.754	S	S	*	*				-157.3	166.7	100.5	34.6	-13.5	0	0	0	116.5	I109	P107-I109 PolarHBondContact O-N 3.01Å
108	N	28	Very low	30	Very low	162 Å²	162	151.5 Å²	151.5	87%	0.866	76%	0.763	S	S	*	*			trans	1.2	110	144.5	-63.5	-49.2	0	0	0	117.4
109	I	31.2	Very low	29.8	Very low	145 Å²	145	150 Å²	150	74%	0.744	77%	0.765	S	S	*	*			trans	-136.9	91.8	163	-58.2	-179.2	0	0	0	111.2	P107	P107-I109 PolarHBondContact O-N 3.01Å
110	L	24.5	Very low	29.8	Very low	169 Å²	169	149.2 Å²	149.2	89%	0.885	77%	0.77	S	S	*	*			trans	-69.9	107	135.3	174.3	104.8	0	0	0	107.2
111	M	28.6	Very low	29.4	Very low	142 Å²	142	147.9 Å²	147.9	70%	0.7	78%	0.775	S	S	*	*			trans	163.4	129.1	147.3	-101.9	-168.2	180	0	0	111.7
112	K	28.4	Very low	29.3	Very low	163 Å²	163	147 Å²	147	71%	0.709	78%	0.78	S	S	*	*				54.9	101	120.4	-148.7	178.3	-172.7	-174.4	0	116.6
113	L	29.8	Very low	29.3	Very low	170 Å²	170	143.4 Å²	143.4	89%	0.89	78%	0.775	S	S	*	*			trans	-125.3	102.6	147	-112.7	95.3	0	0	0	109
114	D	26.4	Very low	29.4	Very low	123 Å²	123	140.9 Å²	140.9	66%	0.658	77%	0.774	S	S	*	*			trans	-58.7	145.5	144	-75.4	-51.1	0	0	0	108.1
115	Y	29	Very low	29.6	Very low	205 Å²	205	140.9 Å²	140.9	80%	0.804	77%	0.773	S	S	*	*			trans	-172.1	125.3	137	-116.3	-102.7	0	0	0	110
116	M	33.7	Very low	29.6	Very low	134 Å²	134	142.7 Å²	142.7	66%	0.66	77%	0.774	S	S	*	*			trans	95.3	85.4	151.9	-63.9	-75.9	156.5	0	0	121.2
117	N	27.4	Very low	29.5	Very low	127 Å²	127	140 Å²	140	68%	0.679	76%	0.76	S	S	*	*				57	99.5	116.5	-67.3	-8	0	0	0	120
118	N	27	Very low	29.3	Very low	156 Å²	156	143.8 Å²	143.8	83%	0.834	77%	0.773	S	S	*	*				170.5	142.4	101	-88.4	-27.5	0	0	0	110.6
119	S	30.9	Very low	29.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	76%	0.759	S	S	*	*	S	Bend	trans	89.9	103.2	170.4	69	0	0	0	0	119.7
120	S	31.9	Very low	29.6	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	75%	0.751	S	S	*	*			trans	82.7	123.7	142.3	-51	0	0	0	0	120.1
121	P	27.9	Very low	30	Very low	127 Å²	127	135.3 Å²	135.3	83%	0.825	74%	0.736	S	S	*	*			trans	-93.1	128.4	-174.4	35.9	-29.8	0	0	0	112.1
122	V	31.5	Very low	30.3	Very low	146 Å²	146	136.4 Å²	136.4	89%	0.885	74%	0.739	S	S	*	*			trans	-136.9	132.7	154	-178	0	0	0	0	108.4
123	S	32.4	Very low	30.6	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	74%	0.739	S	S	*	*			trans	-50.1	147.6	-164.9	49.7	0	0	0	0	117.5
124	P	29.8	Very low	31	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	74%	0.735	S	S	*	*			trans	-90.5	168.1	175.8	38.5	-33.1	0	0	0	111.9
125	I	28.9	Very low	31.8	Very low	150 Å²	150	128.3 Å²	128.3	77%	0.769	72%	0.719	S	S	*	*			trans	87.2	89.2	166.3	-48.1	160.7	0	0	0	113.6
126	D	28.2	Very low	33	Very low	143 Å²	143	120.6 Å²	120.6	77%	0.765	70%	0.695	S	S	*	*	S	Bend	trans	-159	112.1	130.4	-94.8	-33.2	0	0	0	111.5
127	K	31	Very low	34.2	Very low	136 Å²	136	117.5 Å²	117.5	59%	0.591	68%	0.68	S	S	*	*			trans	50.3	88.7	150.5	-61.8	-179.7	-175.9	174.3	0	119.2	S129 D130	K127-S129 PolarHBondContact O-N 2.99Å; K127-S129 VanDerWaalsContact O-N 3.16Å; K127-D130 WeakPolarHBondContact CD-OD2 3.32Å
128	L	29	Very low	35.6	Very low	176 Å²	176	120.7 Å²	120.7	92%	0.921	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	0.5	163.9	-170.6	58.5	0	0	0	114.1
129	S	34.5	Very low	37.1	Very low	82 Å²	82	118.3 Å²	118.3	57%	0.573	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-13.4	177.6	56.7	0	0	0	0	114.6	K127	K127-S129 PolarHBondContact O-N 2.99Å; K127-S129 VanDerWaalsContact O-N 3.16Å
130	D	30.4	Very low	38.7	Very low	106 Å²	106	114.8 Å²	114.8	57%	0.567	64%	0.638	S	S	*	*	S	Bend	trans	-110.2	3	-164	-60.3	-9	0	0	0	113.6	K127	K127-D130 WeakPolarHBondContact CD-OD2 3.32Å
131	I	33	Very low	40.3	Very low	110 Å²	110	111.2 Å²	111.2	56%	0.564	61%	0.611	S	S	*	*	S	Bend	trans	-105	10.6	-173.9	-58	174.3	0	0	0	112.7	T135	I131-T135 PolarHBondContact O-OG1 3.44Å
132	E	35.7	Very low	42.1	Very low	165 Å²	165	113 Å²	113	77%	0.771	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-14	-169.9	-119.7	178.5	170.1	0	0	115.4
133	S	34.3	Very low	43.6	Very low	101 Å²	101	109.6 Å²	109.6	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-16.8	-163.7	65.3	0	0	0	0	116.4
134	T	38	Very low	45.2	Very low	133 Å²	133	104.9 Å²	104.9	82%	0.816	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	-2.8	-176.7	51.1	0	0	0	0	115.4
135	T	43.9	Very low	47	Very low	52 Å²	52	104.3 Å²	104.3	32%	0.319	53%	0.532	S	S	.	.	S	Bend	trans	-100.5	-12.6	-177.5	-15.7	0	0	0	0	113.7	I131 E137 Q139	I131-T135 PolarHBondContact O-OG1 3.44Å; T135-E137 PolarHBondContact O-N 2.83Å; T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3.28Å
136	S	54.9	Low	48.6	Very low	43 Å²	43	101.3 Å²	101.3	30%	0.301	52%	0.517	S	S	.	.	H	α-helix	trans	-72.3	-30.6	-167.3	61.6	0	0	0	0	115.1	L140	S136-L140 WeakPolarHBondContact O-CB 3.22Å; S136-L140 PolarHBondContact O-N 3.38Å
137	E	57.4	Low	50.2	Low	70 Å²	70	95.8 Å²	95.8	33%	0.327	49%	0.486	S	S	.	.	H	α-helix	trans	-71.9	-44.6	-177.5	-170.3	-174.9	158.1	0	0	112.1	T135 T141	T135-E137 PolarHBondContact O-N 2.83Å; E137-T141 VanDerWaalsContact O-CB 3.23Å; E137-T141 WeakPolarHBondContact O-CB 3.16Å; E137-T141 PolarHBondContact O-N 2.99Å; E137-T141 PolarHBondContact O-OG1 2.88Å
138	R	58.3	Low	51.8	Low	194 Å²	194	90.8 Å²	90.8	73%	0.732	47%	0.466	S	S	*	.	H	α-helix	trans	-67.5	-40.5	176.6	-75	-176.3	179.7	175.6	0.6	110.9	R142	R138-R142 VanDerWaalsContact O-CB 3.25Å; R138-R142 WeakPolarHBondContact O-CB 3.28Å; R138-R142 WeakPolarHBondContact O-CG 3.33Å; R138-R142 PolarHBondContact O-N 2.88Å
139	Q	57.4	Low	53.4	Low	106 Å²	106	85.6 Å²	85.6	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-65.5	-47.1	175.9	-74.3	-176.3	-19	0	0	111.6	T135 T141 R142 L143	T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3.28Å; Q139-T141 PolarHBondContact O-N 3.19Å; Q139-R142 PolarHBondContact O-N 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.24Å; Q139-L143 WeakPolarHBondContact O-CG 3.33Å; Q139-L143 PolarHBondContact O-N 3.44Å
140	L	65.2	Low	54.5	Low	39 Å²	39	85.4 Å²	85.4	20%	0.204	43%	0.431	C	S	.	.	H	α-helix	trans	-59.9	-45.6	176.2	177.2	62.1	0	0	0	111.8	T69 S136 L143 I144	T69-L140 HydrophobicContact CG2-CD1 3.47Å; T69-L140 VanDerWaalsContact CG2-CD1 3.47Å; S136-L140 WeakPolarHBondContact O-CB 3.22Å; S136-L140 PolarHBondContact O-N 3.38Å; L140-L143 PolarHBondContact O-N 3.37Å; L140-I144 HydrophobicContact CD1-CD1 3.66Å; L140-I144 HydrophobicContact CD1-CG1 4.16Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CG1 3.08Å; L140-I144 PolarHBondContact O-N 2.92Å
141	T	64.8	Low	55.8	Low	41 Å²	41	82 Å²	82	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-45.3	178	-58.4	0	0	0	0	111	E137 Q139 I144 H145 I166	E137-T141 VanDerWaalsContact O-CB 3.23Å; E137-T141 WeakPolarHBondContact O-CB 3.16Å; E137-T141 PolarHBondContact O-N 2.99Å; E137-T141 PolarHBondContact O-OG1 2.88Å; Q139-T141 PolarHBondContact O-N 3.19Å; T141-I144 PolarHBondContact O-N 3.28Å; T141-H145 VanDerWaalsContact O-CB 3.3Å; T141-H145 WeakPolarHBondContact O-CB 3.38Å; T141-H145 PolarHBondContact O-N 2.91Å; T141-I166 HydrophobicContact CG2-CD1 3.94Å
142	R	65.3	Low	56.9	Low	165 Å²	165	82.6 Å²	82.6	62%	0.623	42%	0.417	S	S	*	.	H	α-helix	trans	-61.3	-45.7	175.2	-76.9	173.3	-176.6	176.8	-0.4	111.6	R138 Q139 I144 H145 L146	R138-R142 VanDerWaalsContact O-CB 3.25Å; R138-R142 WeakPolarHBondContact O-CB 3.28Å; R138-R142 WeakPolarHBondContact O-CG 3.33Å; R138-R142 PolarHBondContact O-N 2.88Å; Q139-R142 PolarHBondContact O-N 3.29Å; R142-I144 PolarHBondContact O-N 3.49Å; R142-H145 PolarHBondContact O-N 2.87Å; R142-L146 WeakPolarHBondContact O-CB 3.32Å; R142-L146 WeakPolarHBondContact O-CG 3.34Å; R142-L146 PolarHBondContact O-N 2.88Å
143	L	63.7	Low	57.9	Low	74 Å²	74	80.9 Å²	80.9	39%	0.387	41%	0.413	S	S	.	.	H	α-helix	trans	-60.9	-44.6	-180	-75.5	171.8	0	0	0	111.9	I73 Q139 L140 Y147	I73-L143 HydrophobicContact CD1-CD1 4.46Å; Q139-L143 WeakPolarHBondContact O-CB 3.24Å; Q139-L143 WeakPolarHBondContact O-CG 3.33Å; Q139-L143 PolarHBondContact O-N 3.44Å; L140-L143 PolarHBondContact O-N 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.47Å; L143-Y147 PolarHBondContact O-N 3.38Å; L143-Y147 VanDerWaalsContact O-N 3.13Å
144	I	66	Low	58.7	Low	5 Å²	5	79.4 Å²	79.4	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-71.2	-36.7	177.6	-63.3	164.9	0	0	0	111.2	T69 L140 T141 R142 Y147 N148 I164 I166	T69-I144 HydrophobicContact CG2-CD1 4.49Å; L140-I144 HydrophobicContact CD1-CD1 3.66Å; L140-I144 HydrophobicContact CD1-CG1 4.16Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 WeakPolarHBondContact O-CG1 3.08Å; L140-I144 PolarHBondContact O-N 2.92Å; T141-I144 PolarHBondContact O-N 3.28Å; R142-I144 PolarHBondContact O-N 3.49Å; I144-Y147 PolarHBondContact O-N 3.26Å; I144-N148 PolarHBondContact O-N 3.49Å; I144-N148 PolarHBondContact O-ND2 2.94Å; I144-I164 HydrophobicContact CD1-CG2 4.18Å; I144-I166 HydrophobicContact CB-CD1 3.54Å; I144-I166 HydrophobicContact CB-CG1 4.04Å; I144-I166 HydrophobicContact CD1-CD1 3.79Å; I144-I166 HydrophobicContact CD1-CG1 4.04Å; I144-I166 HydrophobicContact CG1-CD1 4.24Å; I144-I166 HydrophobicContact CG2-CB 4.36Å; I144-I166 HydrophobicContact CG2-CD1 3.69Å; I144-I166 HydrophobicContact CG2-CG1 3.62Å
145	H	67	Low	59	Low	100 Å²	100	80 Å²	80	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-47.3	176.9	-153.9	-68.2	0	0	0	111.3	T141 R142 Y147 N148 D149	T141-H145 VanDerWaalsContact O-CB 3.3Å; T141-H145 WeakPolarHBondContact O-CB 3.38Å; T141-H145 PolarHBondContact O-N 2.91Å; R142-H145 PolarHBondContact O-N 2.87Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 PolarHBondContact O-N 2.99Å; H145-N148 PolarHBondContact O-N 3.28Å; H145-N148 VanDerWaalsContact O-N 3.11Å; H145-D149 IonicContact CE1-OD1 2.63Å; H145-D149 IonicContact CE1-OD2 3.49Å; H145-D149 PolarHBondContact CE1-OD2 2.8Å; H145-D149 IonicContact ND1-OD1 3.74Å; H145-D149 IonicContact ND1-OD2 2.68Å; H145-D149 PolarHBondContact ND1-OD2 3.35Å; H145-D149 PolarHBondContact O-N 3.35Å
146	L	62.7	Low	59	Low	87 Å²	87	83.5 Å²	83.5	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-57.4	-41.7	175.5	-70	169.1	0	0	0	111.7	R142 D149 D150	R142-L146 WeakPolarHBondContact O-CB 3.32Å; R142-L146 WeakPolarHBondContact O-CG 3.34Å; R142-L146 PolarHBondContact O-N 2.88Å; L146-D149 PolarHBondContact O-N 3.2Å; L146-D150 PolarHBondContact O-N 2.81Å
147	Y	62.4	Low	58.5	Low	26 Å²	26	89.3 Å²	89.3	10%	0.102	44%	0.44	C	S	.	.	H	α-helix	trans	-65.9	-36.8	177	-177.9	-95.4	0	0	0	113.2	Q72 Q75 K76 L143 I144 H145 N151 P162	Q72-Y147 HydrophobicContact CG-CE1 4.24Å; Q75-Y147 PolarHBondContact OE1-OH 3.47Å; K76-Y147 HydrophobicContact CB-CD2 4.28Å; L143-Y147 WeakPolarHBondContact O-CB 3.47Å; L143-Y147 PolarHBondContact O-N 3.38Å; L143-Y147 VanDerWaalsContact O-N 3.13Å; I144-Y147 PolarHBondContact O-N 3.26Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 PolarHBondContact O-N 2.99Å; Y147-N151 WeakPolarHBondContact CE1-ND2 3.48Å; Y147-N151 PolarHBondContact O-N 2.74Å; Y147-N151 PolarHBondContact O-ND2 3.38Å; Y147-P162 HydrophobicContact CE1-CB 4.01Å
148	N	64.4	Low	58	Low	32 Å²	32	93.6 Å²	93.6	17%	0.171	47%	0.466	C	S	.	.	H	α-helix	trans	-73.9	-36.6	177.4	-68.9	-28	0	0	0	112.1	I144 H145 N151 N152	I144-N148 PolarHBondContact O-N 3.49Å; I144-N148 PolarHBondContact O-ND2 2.94Å; H145-N148 PolarHBondContact O-N 3.28Å; H145-N148 VanDerWaalsContact O-N 3.11Å; N148-N151 PolarHBondContact O-N 2.87Å; N148-N152 PolarHBondContact O-N 3.35Å; N148-N152 VanDerWaalsContact O-N 3.13Å
149	D	62.2	Low	57.6	Low	67 Å²	67	88.3 Å²	88.3	36%	0.358	45%	0.449	S	S	.	.	H	α-helix	trans	-66.3	-41.6	176.5	-69.1	-26.6	0	0	0	111.3	H145 L146 N151 N152 N153	H145-D149 IonicContact CE1-OD1 2.63Å; H145-D149 IonicContact CE1-OD2 3.49Å; H145-D149 PolarHBondContact CE1-OD2 2.8Å; H145-D149 IonicContact ND1-OD1 3.74Å; H145-D149 IonicContact ND1-OD2 2.68Å; H145-D149 PolarHBondContact ND1-OD2 3.35Å; H145-D149 PolarHBondContact O-N 3.35Å; L146-D149 PolarHBondContact O-N 3.2Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 PolarHBondContact O-N 3.42Å; D149-N152 PolarHBondContact O-N 3.39Å; D149-N153 PolarHBondContact O-N 2.87Å
150	D	58.2	Low	57.7	Low	78 Å²	78	88.4 Å²	88.4	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-37.6	175.8	-78.2	-29.3	0	0	0	112.4	L146	L146-D150 PolarHBondContact O-N 2.81Å
151	N	57.2	Low	57.6	Low	33 Å²	33	94.9 Å²	94.9	18%	0.176	48%	0.476	C	S	.	.	H	α-helix	trans	-71.5	-32.2	176.8	-83	-35.2	0	0	0	113.1	Y147 N148 D149 H159	Y147-N151 WeakPolarHBondContact CE1-ND2 3.48Å; Y147-N151 PolarHBondContact O-N 2.74Å; Y147-N151 PolarHBondContact O-ND2 3.38Å; N148-N151 PolarHBondContact O-N 2.87Å; D149-N151 VanDerWaalsContact C-N 3.32Å; D149-N151 PolarHBondContact O-N 3.42Å; N151-H159 PolarHBondContact OD1-CE1 3.07Å; N151-H159 PolarHBondContact OD1-ND1 2.08Å
152	N	56.5	Low	57.8	Low	123 Å²	123	94.5 Å²	94.5	66%	0.658	47%	0.474	S	S	*	.	H	α-helix	trans	-75.2	-27.4	178.3	-83.8	-15.3	0	0	0	112.8	N148 D149	N148-N152 PolarHBondContact O-N 3.35Å; N148-N152 VanDerWaalsContact O-N 3.13Å; D149-N152 PolarHBondContact O-N 3.39Å
153	N	55.5	Low	58.2	Low	129 Å²	129	89 Å²	89	69%	0.69	45%	0.454	S	S	*	.	H	α-helix	trans	-80.2	-21.3	178.6	-75.3	-22.4	0	0	0	113.4	D149 N155	D149-N153 PolarHBondContact O-N 2.87Å; N153-N155 PolarHBondContact O-N 3.1Å
154	N	50.7	Low	59.1	Low	71 Å²	71	85.6 Å²	85.6	38%	0.38	44%	0.436	S	S	.	.			trans	-95.9	85.1	176.8	-72.6	-19.6	0	0	0	110.5	N156	N154-N156 PolarHBondContact O-N 3.18Å
155	N	45.7	Very low	59.8	Low	146 Å²	146	86 Å²	86	78%	0.781	44%	0.439	S	S	*	.			trans	-64.2	28.3	177.6	-88.5	-25.5	0	0	0	115.6	N153	N153-N155 PolarHBondContact O-N 3.1Å
156	N	42.6	Very low	60.4	Low	125 Å²	125	82.5 Å²	82.5	67%	0.668	42%	0.423	S	S	*	.			trans	-86.9	118.6	176.5	-74.4	-17.6	0	0	0	110.2	N154 N158	N154-N156 PolarHBondContact O-N 3.18Å; N156-N158 PolarHBondContact O-N 3.48Å
157	N	45.4	Very low	61.3	Low	164 Å²	164	79.5 Å²	79.5	88%	0.877	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	14.2	-171.8	-69.9	-41.9	0	0	0	117.3
158	N	46.4	Very low	61.8	Low	161 Å²	161	83.7 Å²	83.7	86%	0.861	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	17.3	-177.5	-76.5	-14.4	0	0	0	114.5	N156 E160	N156-N158 PolarHBondContact O-N 3.48Å; N158-E160 PolarHBondContact O-N 3.43Å
159	H	51	Low	62.3	Low	83 Å²	83	84.3 Å²	84.3	38%	0.384	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-72.2	123.3	-176.6	-97.8	-85.1	0	0	0	113.8	N151 K161	N151-H159 PolarHBondContact OD1-CE1 3.07Å; N151-H159 PolarHBondContact OD1-ND1 2.08Å; H159-K161 PolarHBondContact O-N 3.47Å
160	E	58.5	Low	62.9	Low	107 Å²	107	82.2 Å²	82.2	50%	0.5	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-59.2	128.6	172.9	-160.3	-174.5	172.2	0	0	109.8	Q75 N158 Y163	Q75-E160 PolarHBondContact NE2-OE2 2.99Å; N158-E160 PolarHBondContact O-N 3.43Å; E160-Y163 PolarHBondContact OE1-OH 3Å
161	K	64.1	Low	64.1	Low	176 Å²	176	78.8 Å²	78.8	77%	0.765	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59.9	136.8	-177.2	-71.5	179.8	179.6	177.3	0	110.7	H159 Y163	H159-K161 PolarHBondContact O-N 3.47Å; K161-Y163 PolarHBondContact O-N 3.31Å
162	P	68.3	Low	65.4	Low	32 Å²	32	78 Å²	78	21%	0.208	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60.2	128.9	-179.1	23.7	-33.7	0	0	0	111.1	Y147 I164 H237	Y147-P162 HydrophobicContact CE1-CB 4.01Å; P162-I164 PolarHBondContact O-N 3.36Å; P162-H237 PolarHBondContact O-ND1 3.27Å
163	Y	74	Confident	66.9	Low	50 Å²	50	76 Å²	76	20%	0.196	40%	0.4	C	S	.	.	S	Bend	trans	-55.5	-38	176.6	-71.6	-89.7	0	0	0	112.8	K71 Q72 E160 K161 H237	K71-Y163 HydrophobicContact CD-CD1 4.4Å; K71-Y163 HydrophobicContact CD-CE1 4.11Å; Q72-Y163 HydrophobicContact CG-CD2 4.37Å; E160-Y163 PolarHBondContact OE1-OH 3Å; K161-Y163 PolarHBondContact O-N 3.31Å; Y163-H237 PolarHBondContact O-N 3.12Å
164	I	82.2	Confident	68.6	Low	2 Å²	2	73.4 Å²	73.4	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.1	179.3	-58	-174.6	0	0	0	108.5	I65 T69 Q72 I144 P162 V234 I235 L236	I65-I164 HydrophobicContact CG2-CD1 4.43Å; I65-I164 WeakPolarHBondContact O-CD1 3.28Å; T69-I164 HydrophobicContact CG2-CD1 3.73Å; Q72-I164 VanDerWaalsContact NE2-N 3.12Å; Q72-I164 PolarHBondContact NE2-O 2.94Å; I144-I164 HydrophobicContact CD1-CG2 4.18Å; P162-I164 PolarHBondContact O-N 3.36Å; I164-V234 HydrophobicContact CG2-CG1 3.54Å; I164-I235 WeakPolarHBondContact CA-O 3.41Å; I164-L236 HydrophobicContact CD1-CD2 4.14Å; I164-L236 HydrophobicContact CG1-CD2 4.02Å
165	S	81.7	Confident	70.4	Confident	14 Å²	14	70.3 Å²	70.3	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	161.6	167.7	66.3	0	0	0	0	111	I235 H237	S165-I235 PolarHBondContact N-O 2.95Å; S165-I235 PolarHBondContact O-N 3.5Å; S165-I235 WeakPolarHBondContact OG-CB 3.37Å; S165-H237 VanDerWaalsContact CB-CE1 3.48Å; S165-H237 WeakPolarHBondContact CB-CE1 3.2Å; S165-H237 PolarHBondContact OG-CE1 3.3Å
166	I	79.5	Confident	72.7	Confident	26 Å²	26	64.4 Å²	64.4	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.2	174.2	-69.7	178	0	0	0	107.5	T141 I144 R233	T141-I166 HydrophobicContact CG2-CD1 3.94Å; I144-I166 HydrophobicContact CB-CD1 3.54Å; I144-I166 HydrophobicContact CB-CG1 4.04Å; I144-I166 HydrophobicContact CD1-CD1 3.79Å; I144-I166 HydrophobicContact CD1-CG1 4.04Å; I144-I166 HydrophobicContact CG1-CD1 4.24Å; I144-I166 HydrophobicContact CG2-CB 4.36Å; I144-I166 HydrophobicContact CG2-CD1 3.69Å; I144-I166 HydrophobicContact CG2-CG1 3.62Å; I166-R233 HydrophobicContact CG2-CB 3.98Å
167	H	81.5	Confident	75.1	Confident	24 Å²	24	62.8 Å²	62.8	11%	0.111	32%	0.322	C	S	.	.			trans	-66	129.3	171.3	-164.5	-89.5	0	0	0	109.3	E169 R233 I235	H167-E169 PolarHBondContact ND1-N 2.95Å; H167-E169 PolarHBondContact ND1-O 3.08Å; H167-E169 PolarHBondContact O-N 3.04Å; H167-R233 PolarHBondContact N-O 2.83Å; H167-I235 HydrophobicContact CB-CD1 3.82Å; H167-I235 HydrophobicContact CB-CG1 4.35Å
168	P	71.4	Confident	77.3	Confident	114 Å²	114	55.4 Å²	55.4	74%	0.74	28%	0.284	S	S	*	.	S	Bend	trans	-61.7	-31.5	-175.5	23.5	-34	0	0	0	112
169	E	75.3	Confident	79.6	Confident	45 Å²	45	47.8 Å²	47.8	21%	0.21	24%	0.244	C	C	.	.	S	Bend	trans	-102.3	116.4	176	-65.2	173.6	-179.9	0	0	110.8	H167 R368 K561 S563	H167-E169 PolarHBondContact ND1-N 2.95Å; H167-E169 PolarHBondContact ND1-O 3.08Å; H167-E169 PolarHBondContact O-N 3.04Å; E169-R368 PolarHBondContact O-NH2 3.08Å; E169-K561 VanDerWaalsContact OE1-CD 3.25Å; E169-K561 WeakPolarHBondContact OE1-CD 3.41Å; E169-K561 WeakPolarHBondContact OE1-CE 3.24Å; E169-K561 IonicContact OE1-NZ 3.61Å; E169-K561 PolarHBondContact OE1-NZ 3.36Å; E169-S563 PolarHBondContact OE2-OG 3.09Å
170	G	75.2	Confident	81.7	Confident	23 Å²	23	46 Å²	46	24%	0.237	24%	0.239	C	C	.	.			trans	-67.2	175.8	172.6	0	0	0	0	0	113.3	R368	G170-R368 PolarHBondContact O-NH2 2.63Å; G170-R368 VanDerWaalsContact O-NH2 3.08Å
171	M	82.8	Confident	83.4	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.034	24%	0.236	C	C	.	.			trans	-79	151.5	161.6	-63.1	-169	-73.1	0	0	109.6	L173 H232 F361 K364 M365	M171-L173 PolarHBondContact O-N 2.61Å; M171-H232 HydrophobicContact CE-CB 3.45Å; M171-H232 VanDerWaalsContact CE-CB 3.45Å; M171-H232 PolarHBondContact N-CE1 3Å; M171-H232 PolarHBondContact N-ND1 3.29Å; M171-F361 HydrophobicContact CE-CB 4.06Å; M171-F361 HydrophobicContact CE-CD2 3.07Å; M171-F361 HydrophobicContact CE-CE2 3.59Å; M171-F361 HydrophobicContact CE-CG 3.69Å; M171-F361 HydrophobicContact SD-CB 3.95Å; M171-F361 HydrophobicContact SD-CD1 4.03Å; M171-F361 HydrophobicContact SD-CD2 3.55Å; M171-F361 VanDerWaalsContact SD-CD2 3.55Å; M171-F361 HydrophobicContact SD-CE1 4.48Å; M171-F361 HydrophobicContact SD-CE2 4.03Å; M171-F361 HydrophobicContact SD-CG 3.56Å; M171-F361 VanDerWaalsContact SD-CG 3.56Å; M171-F361 HydrophobicContact SD-CZ 4.48Å; M171-K364 HydrophobicContact CG-CD 4.23Å; M171-K364 HydrophobicContact SD-CD 4.33Å; M171-M365 HydrophobicContact CE-CE 3.43Å; M171-M365 VanDerWaalsContact CE-CE 3.43Å
172	N	85.8	Confident	84.9	Confident	16 Å²	16	35 Å²	35	9%	0.086	20%	0.201	C	C	.	.			trans	-55.1	131	-177.2	-178	-27.3	0	0	0	111.2	Y174 M175 R176 V678 E682	N172-Y174 PolarHBondContact O-N 3.13Å; N172-Y174 WeakPolarHBondContact OD1-CB 3.38Å; N172-Y174 WeakPolarHBondContact OD1-CD2 3.39Å; N172-Y174 PolarHBondContact OD1-N 2.73Å; N172-M175 HydrophobicContact CB-CB 4.09Å; N172-M175 WeakPolarHBondContact O-CB 3.37Å; N172-M175 PolarHBondContact O-N 3.24Å; N172-R176 PolarHBondContact O-N 3.4Å; N172-R176 VanDerWaalsContact O-N 3.13Å; N172-V678 HydrophobicContact CB-CG1 4.45Å; N172-V678 WeakPolarHBondContact ND2-CG1 3.42Å; N172-V678 PolarHBondContact ND2-O 3.1Å; N172-E682 PolarHBondContact ND2-OE2 2.98Å
173	L	88.3	Confident	86.2	Confident	82 Å²	82	33.5 Å²	33.5	43%	0.429	19%	0.192	S	C	.	.	H	α-helix	trans	-60.1	-42.7	-179.9	175.6	65.3	0	0	0	112.1	M171 M175 R176 L177	M171-L173 PolarHBondContact O-N 2.61Å; L173-M175 VanDerWaalsContact C-N 3.27Å; L173-M175 PolarHBondContact O-N 3.5Å; L173-R176 WeakPolarHBondContact O-CB 3.33Å; L173-R176 PolarHBondContact O-N 3.16Å; L173-R176 VanDerWaalsContact O-N 3.15Å; L173-L177 HydrophobicContact CD1-CG 4.42Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.31Å; L173-L177 PolarHBondContact O-N 3.33Å
174	Y	89.8	Confident	87.2	Confident	73 Å²	73	35.5 Å²	35.5	29%	0.286	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-34.9	-179.3	-60.8	-76.3	0	0	0	111.5	N172 L177 G178 A681 T685	N172-Y174 PolarHBondContact O-N 3.13Å; N172-Y174 WeakPolarHBondContact OD1-CB 3.38Å; N172-Y174 WeakPolarHBondContact OD1-CD2 3.39Å; N172-Y174 PolarHBondContact OD1-N 2.73Å; Y174-L177 PolarHBondContact O-N 2.79Å; Y174-G178 PolarHBondContact O-N 2.91Å; Y174-A681 HydrophobicContact CD1-CB 4.03Å; Y174-A681 HydrophobicContact CD2-CB 3.48Å; Y174-A681 VanDerWaalsContact CD2-CB 3.48Å; Y174-A681 HydrophobicContact CE1-CB 4.02Å; Y174-A681 HydrophobicContact CE2-CB 3.47Å; Y174-A681 VanDerWaalsContact CE2-CB 3.47Å; Y174-A681 HydrophobicContact CG-CB 3.78Å; Y174-T685 HydrophobicContact CE2-CG2 4.27Å
175	M	89.6	Confident	87.8	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-38.6	174.4	-148.3	-177.4	-125.1	0	0	111.9	N172 L173 G178 A179 I357 F361 L570 H675 V678	N172-M175 HydrophobicContact CB-CB 4.09Å; N172-M175 WeakPolarHBondContact O-CB 3.37Å; N172-M175 PolarHBondContact O-N 3.24Å; L173-M175 VanDerWaalsContact C-N 3.27Å; L173-M175 PolarHBondContact O-N 3.5Å; M175-G178 PolarHBondContact O-N 3.38Å; M175-A179 PolarHBondContact O-N 3.19Å; M175-I357 HydrophobicContact CG-CG2 4.38Å; M175-F361 HydrophobicContact CB-CE1 4.08Å; M175-F361 HydrophobicContact CB-CZ 3.92Å; M175-F361 HydrophobicContact CG-CE1 3.52Å; M175-F361 HydrophobicContact CG-CZ 3.86Å; M175-F361 HydrophobicContact SD-CD1 4.24Å; M175-F361 HydrophobicContact SD-CE1 3.38Å; M175-F361 WeakPolarHBondContact SD-CE1 3.38Å; M175-F361 HydrophobicContact SD-CZ 4.11Å; M175-L570 HydrophobicContact CE-CD2 4Å; M175-H675 WeakPolarHBondContact CE-CE1 3.42Å; M175-H675 WeakPolarHBondContact CE-ND1 3.42Å; M175-V678 HydrophobicContact CB-CG1 4.05Å; M175-V678 HydrophobicContact CG-CG1 4.42Å
176	R	93.2	Very high	88.4	Confident	22 Å²	22	35 Å²	35	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-44	173.3	-74.3	-174.5	-66.6	157.5	1.8	112.1	N172 L173 G178 A179 V180 F229 H232 F361	N172-R176 PolarHBondContact O-N 3.4Å; N172-R176 VanDerWaalsContact O-N 3.13Å; L173-R176 WeakPolarHBondContact O-CB 3.33Å; L173-R176 PolarHBondContact O-N 3.16Å; L173-R176 VanDerWaalsContact O-N 3.15Å; R176-G178 VanDerWaalsContact C-N 3.28Å; R176-G178 PolarHBondContact O-N 3.3Å; R176-A179 WeakPolarHBondContact O-CB 3.47Å; R176-A179 PolarHBondContact O-N 3.43Å; R176-V180 WeakPolarHBondContact O-CG2 3.34Å; R176-V180 PolarHBondContact O-N 2.93Å; R176-V180 VanDerWaalsContact O-N 3.1Å; R176-F229 HydrophobicContact CB-CD2 4.02Å; R176-F229 HydrophobicContact CB-CE2 4.28Å; R176-H232 VanDerWaalsContact CZ-NE2 3.35Å; R176-H232 PolarHBondContact NH1-CD2 2.9Å; R176-H232 PolarHBondContact NH1-NE2 3.46Å; R176-F361 HydrophobicContact CG-CE2 3.76Å; R176-F361 HydrophobicContact CG-CZ 4.09Å
177	L	92.4	Very high	89.2	Confident	91 Å²	91	35.3 Å²	35.3	48%	0.476	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-38	174.9	-69.8	172	0	0	0	111.4	L173 Y174 V180 G181	L173-L177 HydrophobicContact CD1-CG 4.42Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.31Å; L173-L177 PolarHBondContact O-N 3.33Å; Y174-L177 PolarHBondContact O-N 2.79Å; L177-V180 PolarHBondContact O-N 3.09Å; L177-G181 PolarHBondContact O-N 3.43Å
178	G	92.2	Very high	89.8	Confident	9 Å²	9	38.3 Å²	38.3	9%	0.093	22%	0.22	C	C	.	.	H	α-helix	trans	-55.8	-52.6	169.3	0	0	0	0	0	112.4	Y174 M175 R176 V180 G181 F182	Y174-G178 PolarHBondContact O-N 2.91Å; M175-G178 PolarHBondContact O-N 3.38Å; R176-G178 VanDerWaalsContact C-N 3.28Å; R176-G178 PolarHBondContact O-N 3.3Å; G178-V180 PolarHBondContact O-N 3.21Å; G178-G181 PolarHBondContact O-N 2.7Å; G178-G181 VanDerWaalsContact O-N 3.16Å; G178-F182 WeakPolarHBondContact O-CB 3.39Å; G178-F182 WeakPolarHBondContact O-CD2 3.32Å; G178-F182 WeakPolarHBondContact O-CG 3.47Å; G178-F182 PolarHBondContact O-N 2.89Å
179	A	94.4	Very high	90.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-39.2	177.5	0	0	0	0	0	112.6	M175 R176 G183 V228 Y354 I357	M175-A179 PolarHBondContact O-N 3.19Å; R176-A179 WeakPolarHBondContact O-CB 3.47Å; R176-A179 PolarHBondContact O-N 3.43Å; A179-G183 WeakPolarHBondContact O-CA 3.41Å; A179-G183 PolarHBondContact O-N 3.49Å; A179-V228 HydrophobicContact CB-CG1 4.17Å; A179-Y354 WeakPolarHBondContact O-CD2 3.23Å; A179-Y354 WeakPolarHBondContact O-CE2 3.5Å; A179-I357 HydrophobicContact CB-CG2 3.84Å
180	V	96	Very high	91.6	Very high	46 Å²	46	31.8 Å²	31.8	28%	0.279	18%	0.179	S	C	.	.	H	α-helix	trans	-66.3	-51.5	175.5	175.9	0	0	0	0	111.5	R176 L177 G178 F182 G183 L184 T225 F229	R176-V180 WeakPolarHBondContact O-CG2 3.34Å; R176-V180 PolarHBondContact O-N 2.93Å; R176-V180 VanDerWaalsContact O-N 3.1Å; L177-V180 PolarHBondContact O-N 3.09Å; G178-V180 PolarHBondContact O-N 3.21Å; V180-F182 PolarHBondContact O-N 3.38Å; V180-G183 PolarHBondContact O-N 2.89Å; V180-L184 HydrophobicContact CG1-CD1 4.12Å; V180-L184 WeakPolarHBondContact O-CG 3.19Å; V180-L184 PolarHBondContact O-N 3.08Å; V180-T225 HydrophobicContact CB-CG2 4.36Å; V180-T225 HydrophobicContact CG2-CG2 3.94Å; V180-F229 HydrophobicContact CG2-CD2 3.61Å; V180-F229 HydrophobicContact CG2-CE2 4.1Å; V180-F229 HydrophobicContact CG2-CG 4.38Å
181	G	94.1	Very high	92.5	Very high	42 Å²	42	32.4 Å²	32.4	43%	0.433	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-45	-179.1	0	0	0	0	0	112.8	L177 G178 L184 G185	L177-G181 PolarHBondContact O-N 3.43Å; G178-G181 PolarHBondContact O-N 2.7Å; G178-G181 VanDerWaalsContact O-N 3.16Å; G181-L184 PolarHBondContact O-N 3.18Å; G181-G185 PolarHBondContact O-N 3.07Å
182	F	94.4	Very high	92.9	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-70.3	-38.3	177.3	-63	-55.1	0	0	0	112.3	G178 V180 L184 G185 V186 L350 E353 Y354 I357 W632 F674	G178-F182 WeakPolarHBondContact O-CB 3.39Å; G178-F182 WeakPolarHBondContact O-CD2 3.32Å; G178-F182 WeakPolarHBondContact O-CG 3.47Å; G178-F182 PolarHBondContact O-N 2.89Å; V180-F182 PolarHBondContact O-N 3.38Å; F182-L184 VanDerWaalsContact C-N 3.33Å; F182-L184 PolarHBondContact O-N 3.21Å; F182-G185 CarbonylContact O-C 3.52Å; F182-G185 WeakPolarHBondContact O-CA 3.37Å; F182-G185 PolarHBondContact O-N 3.46Å; F182-V186 WeakPolarHBondContact O-CG2 3.17Å; F182-V186 PolarHBondContact O-N 3.14Å; F182-L350 HydrophobicContact CD1-CB 4.15Å; F182-L350 HydrophobicContact CD1-CD2 3.66Å; F182-L350 HydrophobicContact CE1-CD2 3.77Å; F182-E353 HydrophobicContact CD1-CB 3.8Å; F182-E353 HydrophobicContact CD1-CG 4.42Å; F182-E353 HydrophobicContact CD2-CB 3.86Å; F182-E353 HydrophobicContact CE1-CB 3.84Å; F182-E353 HydrophobicContact CE1-CG 4.04Å; F182-E353 HydrophobicContact CE2-CB 3.89Å; F182-E353 HydrophobicContact CG-CB 3.82Å; F182-E353 HydrophobicContact CZ-CB 3.88Å; F182-E353 HydrophobicContact CZ-CG 4.08Å; F182-Y354 HydrophobicContact CB-CD2 4.27Å; F182-I357 HydrophobicContact CD2-CD1 3.34Å; F182-I357 HydrophobicContact CE2-CD1 3.48Å; F182-I357 VanDerWaalsContact CE2-CD1 3.48Å; F182-W632 HydrophobicContact CE1-CH2 4.28Å; F182-W632 AromaticContact CE1-CZ2 3.68Å; F182-W632 HydrophobicContact CE1-CZ2 3.68Å; F182-W632 HydrophobicContact CZ-CH2 4.3Å; F182-W632 AromaticContact CZ-CZ2 3.59Å; F182-W632 HydrophobicContact CZ-CZ2 3.59Å; F182-F674 HydrophobicContact CE2-CD1 4.19Å; F182-F674 AromaticContact CE2-CD2 3.94Å; F182-F674 HydrophobicContact CE2-CD2 3.94Å; F182-F674 AromaticContact CE2-CE1 3.96Å; F182-F674 HydrophobicContact CE2-CE1 3.96Å; F182-F674 AromaticContact CE2-CE2 3.69Å; F182-F674 HydrophobicContact CE2-CE2 3.69Å; F182-F674 HydrophobicContact CE2-CG 4.2Å; F182-F674 AromaticContact CE2-CZ 3.73Å; F182-F674 HydrophobicContact CE2-CZ 3.73Å; F182-F674 AromaticContact CZ-CD2 3.86Å; F182-F674 HydrophobicContact CZ-CD2 3.86Å; F182-F674 AromaticContact CZ-CE2 3.94Å; F182-F674 HydrophobicContact CZ-CE2 3.94Å; F182-F674 HydrophobicContact CZ-CG 4.27Å; F182-F674 HydrophobicContact CZ-CZ 4.43Å
183	G	96.1	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-41.9	175	0	0	0	0	0	112.1	A179 V180 G185 V186 M187 Y354	A179-G183 WeakPolarHBondContact O-CA 3.41Å; A179-G183 PolarHBondContact O-N 3.49Å; V180-G183 PolarHBondContact O-N 2.89Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-V186 PolarHBondContact O-N 2.86Å; G183-M187 WeakPolarHBondContact O-CG 3.35Å; G183-M187 PolarHBondContact O-N 3.11Å; G183-M187 VanDerWaalsContact O-N 3.09Å; G183-Y354 VanDerWaalsContact N-CD2 3.28Å
184	L	96.4	Very high	93.2	Very high	91 Å²	91	32.3 Å²	32.3	48%	0.476	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-44.4	170.3	-71.7	167.9	0	0	0	111.5	V180 G181 F182 V186 M187 I188	V180-L184 HydrophobicContact CG1-CD1 4.12Å; V180-L184 WeakPolarHBondContact O-CG 3.19Å; V180-L184 PolarHBondContact O-N 3.08Å; G181-L184 PolarHBondContact O-N 3.18Å; F182-L184 VanDerWaalsContact C-N 3.33Å; F182-L184 PolarHBondContact O-N 3.21Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.95Å; L184-M187 HydrophobicContact CD2-CE 3.68Å; L184-M187 HydrophobicContact CG-CE 4.26Å; L184-M187 PolarHBondContact O-N 3.49Å; L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.46Å; L184-I188 PolarHBondContact O-N 2.9Å
185	G	93.4	Very high	93.1	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-42.3	174.8	0	0	0	0	0	113.6	G181 F182 G183 I188 H189	G181-G185 PolarHBondContact O-N 3.07Å; F182-G185 CarbonylContact O-C 3.52Å; F182-G185 WeakPolarHBondContact O-CA 3.37Å; F182-G185 PolarHBondContact O-N 3.46Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G185-I188 PolarHBondContact O-N 3.06Å; G185-H189 WeakPolarHBondContact O-CB 3.32Å; G185-H189 PolarHBondContact O-N 3.13Å
186	V	94.5	Very high	93	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-41.8	175.8	-179.6	0	0	0	0	112	F182 G183 L184 H189 D190 V221 A351 Y354	F182-V186 WeakPolarHBondContact O-CG2 3.17Å; F182-V186 PolarHBondContact O-N 3.14Å; G183-V186 PolarHBondContact O-N 2.86Å; L184-V186 VanDerWaalsContact C-N 3.32Å; L184-V186 PolarHBondContact O-N 2.95Å; V186-H189 WeakPolarHBondContact O-CB 3.44Å; V186-H189 PolarHBondContact O-N 3.15Å; V186-D190 PolarHBondContact O-N 3.31Å; V186-V221 HydrophobicContact CB-CG1 4.3Å; V186-V221 HydrophobicContact CG1-CG1 4.48Å; V186-V221 HydrophobicContact CG1-CG2 4.03Å; V186-A351 VanDerWaalsContact CG2-CA 3.42Å; V186-A351 HydrophobicContact CG2-CB 3.79Å; V186-Y354 HydrophobicContact CG2-CD1 4.33Å; V186-Y354 HydrophobicContact CG2-CG 4.22Å
187	M	95.7	Very high	92.6	Very high	33 Å²	33	32.2 Å²	32.2	16%	0.163	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-37.3	178	-66.9	-177	-65.8	0	0	111.9	G183 L184 H189 D190 G191 I218 V221 L222	G183-M187 WeakPolarHBondContact O-CG 3.35Å; G183-M187 PolarHBondContact O-N 3.11Å; G183-M187 VanDerWaalsContact O-N 3.09Å; L184-M187 HydrophobicContact CD2-CE 3.68Å; L184-M187 HydrophobicContact CG-CE 4.26Å; L184-M187 PolarHBondContact O-N 3.49Å; M187-H189 VanDerWaalsContact C-N 3.34Å; M187-D190 PolarHBondContact O-N 2.88Å; M187-G191 PolarHBondContact O-N 2.96Å; M187-I218 HydrophobicContact CG-CG2 4.2Å; M187-I218 HydrophobicContact SD-CG2 4.26Å; M187-V221 HydrophobicContact CG-CB 4.37Å; M187-V221 HydrophobicContact CG-CG1 3.94Å; M187-V221 HydrophobicContact SD-CG1 4.44Å; M187-L222 HydrophobicContact CE-CD1 4.19Å; M187-L222 HydrophobicContact SD-CB 3.8Å; M187-L222 HydrophobicContact SD-CD1 4.06Å; M187-L222 HydrophobicContact SD-CG 4.46Å
188	I	94.8	Very high	92.2	Very high	88 Å²	88	38.2 Å²	38.2	45%	0.451	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-42.9	172.8	-68.7	165.5	0	0	0	110.3	L184 G185 D190 G191 F192 L347	L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.46Å; L184-I188 PolarHBondContact O-N 2.9Å; G185-I188 PolarHBondContact O-N 3.06Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 3.27Å; I188-G191 PolarHBondContact O-N 3.38Å; I188-G191 VanDerWaalsContact O-N 3.15Å; I188-F192 HydrophobicContact CG2-CD2 3.7Å; I188-F192 HydrophobicContact CG2-CE2 3.33Å; I188-F192 HydrophobicContact CG2-CZ 4.21Å; I188-F192 VanDerWaalsContact O-CD2 3.31Å; I188-F192 WeakPolarHBondContact O-CD2 2.94Å; I188-F192 PolarHBondContact O-N 3.26Å; I188-L347 HydrophobicContact CG2-CD1 4.23Å
189	H	92.1	Very high	91.8	Very high	21 Å²	21	42.5 Å²	42.5	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-44.1	174.9	-179.6	-123.8	0	0	0	112.5	G185 V186 M187 N193 R217 D344 L347	G185-H189 WeakPolarHBondContact O-CB 3.32Å; G185-H189 PolarHBondContact O-N 3.13Å; V186-H189 WeakPolarHBondContact O-CB 3.44Å; V186-H189 PolarHBondContact O-N 3.15Å; M187-H189 VanDerWaalsContact C-N 3.34Å; H189-N193 PolarHBondContact NE2-ND2 3.22Å; H189-N193 PolarHBondContact O-N 3.27Å; H189-N193 VanDerWaalsContact O-N 3.09Å; H189-N193 PolarHBondContact O-ND2 3.45Å; H189-R217 PolarHBondContact ND1-NH2 3.47Å; H189-D344 IonicContact CD2-OD1 3.24Å; H189-D344 PolarHBondContact CD2-OD1 2.98Å; H189-D344 IonicContact CE1-OD1 2.6Å; H189-D344 IonicContact NE2-OD1 3.36Å; H189-D344 PolarHBondContact NE2-OD1 3.49Å; H189-L347 HydrophobicContact CB-CB 3.96Å; H189-L347 HydrophobicContact CB-CD1 4.05Å
190	D	93.1	Very high	91	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-39.2	172.9	-79.6	-38.8	0	0	0	112.7	V186 M187 I188 N193 L194 H214 R217 I218	V186-D190 PolarHBondContact O-N 3.31Å; M187-D190 PolarHBondContact O-N 2.88Å; I188-D190 VanDerWaalsContact C-N 3.35Å; I188-D190 PolarHBondContact O-N 3.27Å; D190-N193 PolarHBondContact O-N 2.86Å; D190-L194 WeakPolarHBondContact O-CB 3.42Å; D190-L194 WeakPolarHBondContact O-CG 3.33Å; D190-L194 PolarHBondContact O-N 3.44Å; D190-H214 IonicContact OD1-CE1 2.73Å; D190-H214 PolarHBondContact OD1-CE1 2.97Å; D190-H214 IonicContact OD1-CG 2.94Å; D190-H214 IonicContact OD1-ND1 2.75Å; D190-H214 PolarHBondContact OD1-ND1 2.96Å; D190-R217 IonicContact OD1-CZ 3.35Å; D190-R217 IonicContact OD1-NE 2.73Å; D190-R217 PolarHBondContact OD1-NE 2.85Å; D190-R217 IonicContact OD1-NH2 2.72Å; D190-R217 PolarHBondContact OD1-NH2 3.29Å; D190-R217 IonicContact OD2-CZ 2.78Å; D190-R217 IonicContact OD2-NE 3.38Å; D190-R217 PolarHBondContact OD2-NE 3.47Å; D190-R217 IonicContact OD2-NH2 3.41Å; D190-R217 PolarHBondContact OD2-NH2 3.5Å; D190-I218 HydrophobicContact CB-CD1 3.67Å; D190-I218 HydrophobicContact CB-CG1 3.52Å
191	G	93	Very high	89.6	Confident	36 Å²	36	46.2 Å²	46.2	37%	0.371	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-46.5	177.5	0	0	0	0	0	112.7	M187 I188 N193 L194 S195	M187-G191 PolarHBondContact O-N 2.96Å; I188-G191 PolarHBondContact O-N 3.38Å; I188-G191 VanDerWaalsContact O-N 3.15Å; G191-N193 VanDerWaalsContact C-N 3.3Å; G191-N193 PolarHBondContact O-N 2.88Å; G191-L194 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-N 2.89Å
192	F	92.5	Very high	88.3	Confident	73 Å²	73	49.1 Å²	49.1	32%	0.32	26%	0.257	S	S	.	.	H	α-helix	trans	-69.1	-28	174.8	-70.2	-52.2	0	0	0	113.5	I188 S195 L339 G340 V343 L347	I188-F192 HydrophobicContact CG2-CD2 3.7Å; I188-F192 HydrophobicContact CG2-CE2 3.33Å; I188-F192 HydrophobicContact CG2-CZ 4.21Å; I188-F192 VanDerWaalsContact O-CD2 3.31Å; I188-F192 WeakPolarHBondContact O-CD2 2.94Å; I188-F192 PolarHBondContact O-N 3.26Å; F192-S195 PolarHBondContact O-OG 2.9Å; F192-L339 HydrophobicContact CD1-CD2 3.52Å; F192-L339 HydrophobicContact CD1-CG 3.97Å; F192-L339 HydrophobicContact CE1-CD2 3.74Å; F192-L339 HydrophobicContact CE1-CG 4.43Å; F192-G340 WeakPolarHBondContact O-CA 3.34Å; F192-G340 PolarHBondContact O-N 3.35Å; F192-V343 HydrophobicContact CB-CG2 3.81Å; F192-V343 HydrophobicContact CD2-CG2 3.69Å; F192-V343 HydrophobicContact CE2-CG2 4.44Å; F192-V343 HydrophobicContact CG-CG2 3.93Å; F192-L347 HydrophobicContact CD2-CD1 3.66Å; F192-L347 HydrophobicContact CE2-CD1 4.04Å
193	N	89.3	Confident	87	Confident	10 Å²	10	54 Å²	54	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-57.3	169.9	-85.3	-61.2	0	0	0	109.1	H189 D190 G191 S195 S196 W210 Y338	H189-N193 PolarHBondContact NE2-ND2 3.22Å; H189-N193 PolarHBondContact O-N 3.27Å; H189-N193 VanDerWaalsContact O-N 3.09Å; H189-N193 PolarHBondContact O-ND2 3.45Å; D190-N193 PolarHBondContact O-N 2.86Å; G191-N193 VanDerWaalsContact C-N 3.3Å; G191-N193 PolarHBondContact O-N 2.88Å; N193-S195 PolarHBondContact O-N 3.46Å; N193-S196 VanDerWaalsContact O-CB 3.28Å; N193-S196 WeakPolarHBondContact O-CB 3.37Å; N193-S196 PolarHBondContact O-N 2.73Å; N193-S196 PolarHBondContact O-OG 3.41Å; N193-W210 HydrophobicContact CB-CH2 4.48Å; N193-W210 HydrophobicContact CB-CZ2 4Å; N193-W210 WeakPolarHBondContact O-CH2 3.49Å; N193-Y338 PolarHBondContact OD1-OH 2.73Å
194	L	90.6	Very high	85.8	Confident	21 Å²	21	57.9 Å²	57.9	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-52.9	-28.2	179.5	-76	166.4	0	0	0	114.6	D190 G191 S196 V197 W210 I211 H214 I215 I218	D190-L194 WeakPolarHBondContact O-CB 3.42Å; D190-L194 WeakPolarHBondContact O-CG 3.33Å; D190-L194 PolarHBondContact O-N 3.44Å; G191-L194 PolarHBondContact O-N 2.99Å; L194-S196 PolarHBondContact O-N 3.31Å; L194-S196 VanDerWaalsContact O-N 3.14Å; L194-V197 PolarHBondContact O-N 2.96Å; L194-W210 HydrophobicContact CD2-CZ3 4.06Å; L194-I211 HydrophobicContact CD2-CG2 4.05Å; L194-H214 HydrophobicContact CD1-CB 4.08Å; L194-H214 HydrophobicContact CD2-CB 3.84Å; L194-H214 HydrophobicContact CG-CB 3.84Å; L194-I215 HydrophobicContact CD1-CD1 3.65Å; L194-I215 HydrophobicContact CD1-CG1 4.42Å; L194-I215 HydrophobicContact CD2-CD1 4.39Å; L194-I215 HydrophobicContact CD2-CG1 4.5Å; L194-I218 HydrophobicContact CD1-CD1 3.77Å
195	S	87.9	Confident	84.7	Confident	33 Å²	33	54.5 Å²	54.5	23%	0.231	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.7	176	72.4	0	0	0	0	113.5	G191 F192 N193 V197 W198 E199	G191-S195 PolarHBondContact O-N 2.89Å; F192-S195 PolarHBondContact O-OG 2.9Å; N193-S195 PolarHBondContact O-N 3.46Å; S195-V197 PolarHBondContact O-N 3.24Å; S195-V197 VanDerWaalsContact O-N 3.16Å; S195-W198 PolarHBondContact O-N 2.92Å; S195-E199 PolarHBondContact O-N 3.36Å
196	S	86.7	Confident	84.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-27.9	178.3	75.7	0	0	0	0	113.4	N193 L194 W198 E199 V200 H206 W210 Y338	N193-S196 VanDerWaalsContact O-CB 3.28Å; N193-S196 WeakPolarHBondContact O-CB 3.37Å; N193-S196 PolarHBondContact O-N 2.73Å; N193-S196 PolarHBondContact O-OG 3.41Å; L194-S196 PolarHBondContact O-N 3.31Å; L194-S196 VanDerWaalsContact O-N 3.14Å; S196-W198 PolarHBondContact O-N 3.49Å; S196-E199 PolarHBondContact O-N 2.91Å; S196-V200 WeakPolarHBondContact O-CB 3.43Å; S196-V200 PolarHBondContact O-N 3.3Å; S196-H206 WeakPolarHBondContact CB-NE2 3.41Å; S196-H206 PolarHBondContact OG-CE1 3.47Å; S196-H206 VanDerWaalsContact OG-CE1 3.31Å; S196-H206 PolarHBondContact OG-NE2 3.2Å; S196-W210 WeakPolarHBondContact OG-CH2 3.29Å; S196-Y338 VanDerWaalsContact CB-CD2 3.46Å
197	V	84.6	Confident	83.5	Confident	65 Å²	65	57.9 Å²	57.9	39%	0.394	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-29.4	177.9	-178.9	0	0	0	0	111.7	L194 S195 W210 I211	L194-V197 PolarHBondContact O-N 2.96Å; S195-V197 PolarHBondContact O-N 3.24Å; S195-V197 VanDerWaalsContact O-N 3.16Å; V197-W210 HydrophobicContact CG2-CZ3 3.83Å; V197-I211 HydrophobicContact CG2-CD1 3.85Å; V197-I211 HydrophobicContact CG2-CG1 4.05Å
198	W	84.7	Confident	83	Confident	217 Å²	217	66.3 Å²	66.3	82%	0.822	35%	0.351	S	S	*	.	H	α-helix	trans	-93.8	-25.1	176.6	-70.8	-81.1	0	0	0	113.2	S195 S196	S195-W198 PolarHBondContact O-N 2.92Å; S196-W198 PolarHBondContact O-N 3.49Å
199	E	83	Confident	82.7	Confident	99 Å²	99	63.9 Å²	63.9	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-84.5	-33.1	-178.9	-169.1	169.8	-174.1	0	0	112.4	S195 S196 Y338 L339	S195-E199 PolarHBondContact O-N 3.36Å; S196-E199 PolarHBondContact O-N 2.91Å; E199-Y338 WeakPolarHBondContact OE2-CA 3.33Å; E199-Y338 WeakPolarHBondContact OE2-CB 3.45Å; E199-L339 PolarHBondContact OE2-N 3.05Å
200	V	78.5	Confident	82.5	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.055	34%	0.337	C	S	.	.			trans	-114.3	96.6	-178	-174.6	0	0	0	0	108.5	S196 E202 L334	S196-V200 WeakPolarHBondContact O-CB 3.43Å; S196-V200 PolarHBondContact O-N 3.3Å; V200-E202 PolarHBondContact O-N 2.89Å; V200-E202 VanDerWaalsContact O-N 3.08Å; V200-L334 HydrophobicContact CG1-CD1 4.32Å; V200-L334 HydrophobicContact CG1-CD2 3.68Å; V200-L334 HydrophobicContact CG1-CG 3.74Å; V200-L334 HydrophobicContact CG2-CG 4.48Å
201	S	66.6	Low	82.4	Confident	117 Å²	117	67.4 Å²	67.4	82%	0.818	36%	0.357	S	S	*	.			trans	-62.7	-14.6	-178.2	-54.2	0	0	0	0	114.2
202	E	65.7	Low	82.5	Confident	102 Å²	102	68.4 Å²	68.4	48%	0.477	36%	0.357	S	S	.	.	S	Bend	trans	-100.2	129.4	-179.8	-69.9	-168.9	177.7	0	0	112	V200 V204	V200-E202 PolarHBondContact O-N 2.89Å; V200-E202 VanDerWaalsContact O-N 3.08Å; E202-V204 HydrophobicContact CB-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.91Å
203	P	67.8	Low	82.5	Confident	113 Å²	113	66.3 Å²	66.3	73%	0.734	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-69.4	8.4	-179.7	30.1	-36.3	0	0	0	114.1	C205	P203-C205 VanDerWaalsContact C-N 3.31Å; P203-C205 PolarHBondContact O-N 2.98Å
204	V	70.5	Confident	82.8	Confident	83 Å²	83	66.5 Å²	66.5	50%	0.503	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-70.2	-27.6	-170.5	-177.1	0	0	0	0	112	E202 I331	E202-V204 HydrophobicContact CB-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.91Å; V204-I331 HydrophobicContact CB-CG2 4.45Å; V204-I331 HydrophobicContact CG1-CD1 4.43Å; V204-I331 HydrophobicContact CG1-CG2 3.51Å
205	C	74.5	Confident	83	Confident	20 Å²	20	69.4 Å²	69.4	14%	0.135	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-82	-16.7	-174.1	-60.7	0	0	0	0	114.6	P203 C335	P203-C205 VanDerWaalsContact C-N 3.31Å; P203-C205 PolarHBondContact O-N 2.98Å; C205-C335 WeakPolarHBondContact CA-SG 3.47Å; C205-C335 HydrophobicContact CB-CB 3.72Å; C205-C335 WeakPolarHBondContact CB-SG 3.45Å; C205-C335 WeakPolarHBondContact SG-CA 3.49Å; C205-C335 WeakPolarHBondContact SG-CB 3.19Å; C205-C335 CovalentContact SG-SG 2.03Å; C205-C335 PolarHBondContact SG-SG 3.04Å
206	H	80	Confident	83.5	Confident	42 Å²	42	69.7 Å²	69.7	19%	0.194	36%	0.361	C	S	.	.	S	Bend	trans	-129.8	140.9	-167.7	-58.5	-66.2	0	0	0	112	S196 W210 Y338	S196-H206 WeakPolarHBondContact CB-NE2 3.41Å; S196-H206 PolarHBondContact OG-CE1 3.47Å; S196-H206 VanDerWaalsContact OG-CE1 3.31Å; S196-H206 PolarHBondContact OG-NE2 3.2Å; H206-W210 HydrophobicContact CB-CB 3.98Å; H206-W210 HydrophobicContact CB-CD2 4.08Å; H206-W210 HydrophobicContact CB-CE3 4.34Å; H206-W210 HydrophobicContact CB-CG 3.92Å; H206-W210 AromaticContact CE1-CE2 3.6Å; H206-W210 AromaticContact CE1-CZ2 3.53Å; H206-W210 AromaticContact CE1-NE1 3.88Å; H206-W210 AromaticContact CG-CD2 3.83Å; H206-W210 AromaticContact ND1-CD1 3.58Å; H206-W210 AromaticContact ND1-CD2 3.45Å; H206-W210 AromaticContact ND1-CE2 3.2Å; H206-W210 AromaticContact ND1-CG 3.69Å; H206-W210 AromaticContact ND1-CZ2 3.64Å; H206-W210 AromaticContact ND1-NE1 3.29Å; H206-W210 PolarHBondContact ND1-NE1 2.84Å; H206-Y338 AromaticContact CE1-CE1 3.91Å; H206-Y338 AromaticContact CE1-CZ 3.98Å
207	S	82.5	Confident	83.9	Confident	34 Å²	34	70.5 Å²	70.5	24%	0.238	36%	0.364	C	S	.	.			trans	-71.2	157.5	169.7	48.4	0	0	0	0	110.2	E44 L209 W210	E44-S207 PolarHBondContact OE1-OG 3.36Å; E44-S207 VanDerWaalsContact OE1-OG 3.07Å; E44-S207 VanDerWaalsContact OE2-CB 3.29Å; E44-S207 WeakPolarHBondContact OE2-CB 3.29Å; E44-S207 PolarHBondContact OE2-OG 3.13Å; S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 VanDerWaalsContact O-N 3.11Å; S207-W210 WeakPolarHBondContact O-CB 3.29Å; S207-W210 PolarHBondContact O-N 3.31Å
208	K	84.7	Confident	84.5	Confident	209 Å²	209	69.4 Å²	69.4	91%	0.909	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27	176.7	-64.4	-177.7	-179.7	179.7	0	113.4
209	L	88.6	Confident	85.1	Confident	38 Å²	38	62.2 Å²	62.2	20%	0.199	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.9	179.8	-65	-179.9	0	0	0	113.9	Y41 E44 I45 I48 S207 P212 K213	Y41-L209 HydrophobicContact CD2-CD1 3.66Å; Y41-L209 HydrophobicContact CD2-CG 4.36Å; Y41-L209 HydrophobicContact CE2-CD1 3.48Å; Y41-L209 VanDerWaalsContact CE2-CD1 3.48Å; Y41-L209 HydrophobicContact CE2-CG 4.09Å; E44-L209 HydrophobicContact CB-CB 4.21Å; E44-L209 HydrophobicContact CB-CD1 4.21Å; I45-L209 HydrophobicContact CD1-CD1 4.34Å; I45-L209 HydrophobicContact CG1-CD1 3.55Å; I48-L209 HydrophobicContact CD1-CB 4.18Å; I48-L209 HydrophobicContact CD1-CD2 4.3Å; S207-L209 PolarHBondContact O-N 3.04Å; S207-L209 VanDerWaalsContact O-N 3.11Å; L209-P212 WeakPolarHBondContact O-CD 2.98Å; L209-K213 WeakPolarHBondContact O-CB 3.3Å; L209-K213 PolarHBondContact O-N 3.43Å; L209-K213 VanDerWaalsContact O-N 3.08Å
210	W	87.9	Confident	85.8	Confident	13 Å²	13	57.5 Å²	57.5	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-46.2	-174.1	-175.4	94.8	0	0	0	112.1	N193 L194 S196 V197 H206 S207 H214	N193-W210 HydrophobicContact CB-CH2 4.48Å; N193-W210 HydrophobicContact CB-CZ2 4Å; N193-W210 WeakPolarHBondContact O-CH2 3.49Å; L194-W210 HydrophobicContact CD2-CZ3 4.06Å; S196-W210 WeakPolarHBondContact OG-CH2 3.29Å; V197-W210 HydrophobicContact CG2-CZ3 3.83Å; H206-W210 HydrophobicContact CB-CB 3.98Å; H206-W210 HydrophobicContact CB-CD2 4.08Å; H206-W210 HydrophobicContact CB-CE3 4.34Å; H206-W210 HydrophobicContact CB-CG 3.92Å; H206-W210 AromaticContact CE1-CE2 3.6Å; H206-W210 AromaticContact CE1-CZ2 3.53Å; H206-W210 AromaticContact CE1-NE1 3.88Å; H206-W210 AromaticContact CG-CD2 3.83Å; H206-W210 AromaticContact ND1-CD1 3.58Å; H206-W210 AromaticContact ND1-CD2 3.45Å; H206-W210 AromaticContact ND1-CE2 3.2Å; H206-W210 AromaticContact ND1-CG 3.69Å; H206-W210 AromaticContact ND1-CZ2 3.64Å; H206-W210 AromaticContact ND1-NE1 3.29Å; H206-W210 PolarHBondContact ND1-NE1 2.84Å; S207-W210 WeakPolarHBondContact O-CB 3.29Å; S207-W210 PolarHBondContact O-N 3.31Å; W210-H214 AromaticContact CD1-NE2 3.96Å; W210-H214 AromaticContact CD2-CD2 3.72Å; W210-H214 AromaticContact CE2-CD2 3.52Å; W210-H214 AromaticContact CE2-NE2 3.43Å; W210-H214 AromaticContact CZ2-CD2 3.85Å; W210-H214 AromaticContact CZ2-NE2 3.78Å; W210-H214 AromaticContact NE1-CD2 3.83Å; W210-H214 AromaticContact NE1-NE2 3.35Å; W210-H214 PolarHBondContact NE1-NE2 2.61Å; W210-H214 PolarHBondContact O-CD2 3.24Å; W210-H214 PolarHBondContact O-N 3.02Å
211	I	91.9	Very high	86.7	Confident	82 Å²	82	57.2 Å²	57.2	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-53.9	178.5	-57	172.4	0	0	0	111.3	L194 V197 K213 H214 I215	L194-I211 HydrophobicContact CD2-CG2 4.05Å; V197-I211 HydrophobicContact CG2-CD1 3.85Å; V197-I211 HydrophobicContact CG2-CG1 4.05Å; I211-K213 VanDerWaalsContact C-N 3.27Å; I211-K213 PolarHBondContact O-N 3.22Å; I211-H214 PolarHBondContact O-N 2.89Å; I211-I215 HydrophobicContact CG2-CG1 4.28Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 3.36Å; I211-I215 VanDerWaalsContact O-N 3.14Å
212	P	93.7	Very high	88.2	Confident	56 Å²	56	56.5 Å²	56.5	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-55.7	-40.8	178.8	-26.6	34.7	0	0	0	113.4	L209 H214 I215 I216	L209-P212 WeakPolarHBondContact O-CD 2.98Å; P212-H214 PolarHBondContact O-N 3.45Å; P212-I215 PolarHBondContact O-N 2.93Å; P212-I216 WeakPolarHBondContact O-CB 3.26Å; P212-I216 VanDerWaalsContact O-CG1 3.22Å; P212-I216 WeakPolarHBondContact O-CG1 3.04Å; P212-I216 PolarHBondContact O-N 3.23Å
213	K	93.8	Very high	89.7	Confident	30 Å²	30	55.8 Å²	55.8	13%	0.13	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-46.9	178.7	178.5	-170.3	71.6	-168.2	0	112.4	E44 I48 Y51 L209 I211 R217	E44-K213 HydrophobicContact CB-CD 4.43Å; E44-K213 HydrophobicContact CG-CD 3.94Å; E44-K213 IonicContact OE1-NZ 2.74Å; E44-K213 PolarHBondContact OE1-NZ 3.42Å; I48-K213 HydrophobicContact CD1-CB 4.1Å; I48-K213 HydrophobicContact CG1-CB 3.97Å; I48-K213 HydrophobicContact CG1-CG 4.37Å; Y51-K213 HydrophobicContact CE2-CG 4.34Å; L209-K213 WeakPolarHBondContact O-CB 3.3Å; L209-K213 PolarHBondContact O-N 3.43Å; L209-K213 VanDerWaalsContact O-N 3.08Å; I211-K213 VanDerWaalsContact C-N 3.27Å; I211-K213 PolarHBondContact O-N 3.22Å; K213-R217 WeakPolarHBondContact O-CB 3.04Å; K213-R217 PolarHBondContact O-N 3.44Å; K213-R217 VanDerWaalsContact O-N 3.09Å
214	H	94.3	Very high	91.1	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-43	-179.9	-77.7	-69.9	0	0	0	111.9	D190 L194 W210 I211 P212 I216 R217 I218	D190-H214 IonicContact OD1-CE1 2.73Å; D190-H214 PolarHBondContact OD1-CE1 2.97Å; D190-H214 IonicContact OD1-CG 2.94Å; D190-H214 IonicContact OD1-ND1 2.75Å; D190-H214 PolarHBondContact OD1-ND1 2.96Å; L194-H214 HydrophobicContact CD1-CB 4.08Å; L194-H214 HydrophobicContact CD2-CB 3.84Å; L194-H214 HydrophobicContact CG-CB 3.84Å; W210-H214 AromaticContact CD1-NE2 3.96Å; W210-H214 AromaticContact CD2-CD2 3.72Å; W210-H214 AromaticContact CE2-CD2 3.52Å; W210-H214 AromaticContact CE2-NE2 3.43Å; W210-H214 AromaticContact CZ2-CD2 3.85Å; W210-H214 AromaticContact CZ2-NE2 3.78Å; W210-H214 AromaticContact NE1-CD2 3.83Å; W210-H214 AromaticContact NE1-NE2 3.35Å; W210-H214 PolarHBondContact NE1-NE2 2.61Å; W210-H214 PolarHBondContact O-CD2 3.24Å; W210-H214 PolarHBondContact O-N 3.02Å; I211-H214 PolarHBondContact O-N 2.89Å; P212-H214 PolarHBondContact O-N 3.45Å; H214-I216 PolarHBondContact O-N 3.36Å; H214-R217 PolarHBondContact O-N 3.01Å; H214-I218 WeakPolarHBondContact O-CG1 3.35Å; H214-I218 PolarHBondContact O-N 3.42Å
215	I	95.8	Very high	92.4	Very high	82 Å²	82	47 Å²	47	42%	0.421	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-46.7	178.5	-63.3	-64.7	0	0	0	111.6	L194 I211 P212 R217 I218 V219	L194-I215 HydrophobicContact CD1-CD1 3.65Å; L194-I215 HydrophobicContact CD1-CG1 4.42Å; L194-I215 HydrophobicContact CD2-CD1 4.39Å; L194-I215 HydrophobicContact CD2-CG1 4.5Å; I211-I215 HydrophobicContact CG2-CG1 4.28Å; I211-I215 WeakPolarHBondContact O-CG1 3.45Å; I211-I215 PolarHBondContact O-N 3.36Å; I211-I215 VanDerWaalsContact O-N 3.14Å; P212-I215 PolarHBondContact O-N 2.93Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.46Å; I215-I218 PolarHBondContact O-N 3.17Å; I215-V219 WeakPolarHBondContact O-CG2 3.49Å; I215-V219 PolarHBondContact O-N 2.94Å; I215-V219 VanDerWaalsContact O-N 3.1Å
216	I	97	Very high	93.4	Very high	38 Å²	38	51.4 Å²	51.4	20%	0.195	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-37.1	179.1	-63.9	167.7	0	0	0	110.4	I48 Y51 I55 P212 H214 V219 W220	I48-I216 HydrophobicContact CG2-CD1 3.81Å; Y51-I216 HydrophobicContact CD2-CG2 4.39Å; Y51-I216 HydrophobicContact CG-CG2 4.49Å; I55-I216 HydrophobicContact CD1-CG2 4.02Å; P212-I216 WeakPolarHBondContact O-CB 3.26Å; P212-I216 VanDerWaalsContact O-CG1 3.22Å; P212-I216 WeakPolarHBondContact O-CG1 3.04Å; P212-I216 PolarHBondContact O-N 3.23Å; H214-I216 PolarHBondContact O-N 3.36Å; I216-V219 PolarHBondContact O-N 2.94Å; I216-W220 WeakPolarHBondContact O-CB 3.24Å; I216-W220 PolarHBondContact O-N 3.5Å
217	R	96.3	Very high	94.1	Very high	17 Å²	17	49.4 Å²	49.4	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-46.1	174.6	-170.2	169.7	82.9	147.7	3	111.7	Y51 H189 D190 K213 H214 I215 V219 W220 V221 H257	Y51-R217 HydrophobicContact CD2-CB 4.06Å; Y51-R217 HydrophobicContact CE2-CB 3.82Å; Y51-R217 HydrophobicContact CE2-CG 4.14Å; H189-R217 PolarHBondContact ND1-NH2 3.47Å; D190-R217 IonicContact OD1-CZ 3.35Å; D190-R217 IonicContact OD1-NE 2.73Å; D190-R217 PolarHBondContact OD1-NE 2.85Å; D190-R217 IonicContact OD1-NH2 2.72Å; D190-R217 PolarHBondContact OD1-NH2 3.29Å; D190-R217 IonicContact OD2-CZ 2.78Å; D190-R217 IonicContact OD2-NE 3.38Å; D190-R217 PolarHBondContact OD2-NE 3.47Å; D190-R217 IonicContact OD2-NH2 3.41Å; D190-R217 PolarHBondContact OD2-NH2 3.5Å; K213-R217 WeakPolarHBondContact O-CB 3.04Å; K213-R217 PolarHBondContact O-N 3.44Å; K213-R217 VanDerWaalsContact O-N 3.09Å; H214-R217 PolarHBondContact O-N 3.01Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 3.46Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.18Å; R217-W220 HydrophobicContact CG-CE3 4.34Å; R217-W220 PolarHBondContact O-N 2.75Å; R217-V221 HydrophobicContact CG-CG2 4.16Å; R217-V221 WeakPolarHBondContact O-CB 3.39Å; R217-V221 VanDerWaalsContact O-CG2 3.26Å; R217-V221 WeakPolarHBondContact O-CG2 3.38Å; R217-V221 PolarHBondContact O-N 3.11Å; R217-H257 PolarHBondContact NH1-NE2 2.92Å
218	I	97.3	Very high	94.7	Very high	43 Å²	43	47.8 Å²	47.8	22%	0.221	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-48.8	176.1	-69.4	167.8	0	0	0	110.7	M187 D190 L194 H214 I215 W220 V221 L222	M187-I218 HydrophobicContact CG-CG2 4.2Å; M187-I218 HydrophobicContact SD-CG2 4.26Å; D190-I218 HydrophobicContact CB-CD1 3.67Å; D190-I218 HydrophobicContact CB-CG1 3.52Å; L194-I218 HydrophobicContact CD1-CD1 3.77Å; H214-I218 WeakPolarHBondContact O-CG1 3.35Å; H214-I218 PolarHBondContact O-N 3.42Å; I215-I218 PolarHBondContact O-N 3.17Å; I218-W220 PolarHBondContact O-N 3.44Å; I218-V221 PolarHBondContact O-N 2.9Å; I218-L222 WeakPolarHBondContact O-CB 3.41Å; I218-L222 PolarHBondContact O-N 2.82Å
219	V	97.6	Very high	95	Very high	65 Å²	65	41.2 Å²	41.2	39%	0.394	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-46.4	179.6	174.1	0	0	0	0	111.1	I55 I215 I216 R217 W223	I55-V219 HydrophobicContact CD1-CB 4.35Å; I55-V219 HydrophobicContact CD1-CG1 3.95Å; I215-V219 WeakPolarHBondContact O-CG2 3.49Å; I215-V219 PolarHBondContact O-N 2.94Å; I215-V219 VanDerWaalsContact O-N 3.1Å; I216-V219 PolarHBondContact O-N 2.94Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.18Å; V219-W223 WeakPolarHBondContact O-CB 3.38Å; V219-W223 PolarHBondContact O-N 3.08Å
220	W	97.6	Very high	95.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-49.9	177.6	167.7	45	0	0	0	111.9	Y51 A54 I55 I216 R217 I218 L222 W223 Q224 I253	Y51-W220 HydrophobicContact CD1-CD2 4.06Å; Y51-W220 AromaticContact CD1-CE3 3.28Å; Y51-W220 HydrophobicContact CD1-CE3 3.28Å; Y51-W220 HydrophobicContact CD1-CH2 4.33Å; Y51-W220 AromaticContact CD1-CZ3 3.45Å; Y51-W220 HydrophobicContact CD1-CZ3 3.45Å; Y51-W220 VanDerWaalsContact CD1-CZ3 3.45Å; Y51-W220 AromaticContact CE1-CE3 3.63Å; Y51-W220 HydrophobicContact CE1-CE3 3.63Å; Y51-W220 HydrophobicContact CE1-CH2 4.27Å; Y51-W220 AromaticContact CE1-CZ3 3.34Å; Y51-W220 HydrophobicContact CE1-CZ3 3.34Å; Y51-W220 AromaticContact CG-CE3 3.96Å; Y51-W220 HydrophobicContact CG-CE3 3.96Å; Y51-W220 HydrophobicContact CG-CZ3 4.5Å; A54-W220 VanDerWaalsContact CB-CD1 3.5Å; A54-W220 HydrophobicContact CB-CD2 4.38Å; A54-W220 HydrophobicContact CB-CG 4.15Å; A54-W220 VanDerWaalsContact CB-NE1 3.35Å; I55-W220 HydrophobicContact CD1-CB 4.02Å; I55-W220 HydrophobicContact CG1-CB 3.86Å; I216-W220 WeakPolarHBondContact O-CB 3.24Å; I216-W220 PolarHBondContact O-N 3.5Å; R217-W220 HydrophobicContact CG-CE3 4.34Å; R217-W220 PolarHBondContact O-N 2.75Å; I218-W220 PolarHBondContact O-N 3.44Å; W220-L222 PolarHBondContact O-N 3.02Å; W220-W223 PolarHBondContact O-N 3.18Å; W220-Q224 VanDerWaalsContact NE1-OE1 3.09Å; W220-Q224 WeakPolarHBondContact O-CB 3.47Å; W220-Q224 PolarHBondContact O-N 3.4Å; W220-I253 HydrophobicContact CH2-CG2 3.57Å; W220-I253 HydrophobicContact CZ2-CG2 3.57Å; W220-I253 HydrophobicContact CZ3-CG2 4.39Å
221	V	97.4	Very high	95.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-44.2	-179.4	169.1	0	0	0	0	110.9	V186 M187 R217 I218 T225 Y354	V186-V221 HydrophobicContact CB-CG1 4.3Å; V186-V221 HydrophobicContact CG1-CG1 4.48Å; V186-V221 HydrophobicContact CG1-CG2 4.03Å; M187-V221 HydrophobicContact CG-CB 4.37Å; M187-V221 HydrophobicContact CG-CG1 3.94Å; M187-V221 HydrophobicContact SD-CG1 4.44Å; R217-V221 HydrophobicContact CG-CG2 4.16Å; R217-V221 WeakPolarHBondContact O-CB 3.39Å; R217-V221 VanDerWaalsContact O-CG2 3.26Å; R217-V221 WeakPolarHBondContact O-CG2 3.38Å; R217-V221 PolarHBondContact O-N 3.11Å; I218-V221 PolarHBondContact O-N 2.9Å; V221-T225 VanDerWaalsContact O-CB 3.25Å; V221-T225 WeakPolarHBondContact O-CB 3.47Å; V221-T225 PolarHBondContact O-N 3.47Å; V221-T225 PolarHBondContact O-OG1 3.27Å; V221-Y354 HydrophobicContact CB-CE1 4.42Å; V221-Y354 HydrophobicContact CG1-CE1 3.94Å; V221-Y354 HydrophobicContact CG1-CE2 4.37Å; V221-Y354 HydrophobicContact CG2-CE1 4.05Å; V221-Y354 PolarHBondContact O-OH 2.98Å; V221-Y354 VanDerWaalsContact O-OH 3.09Å
222	L	97.3	Very high	95.2	Very high	103 Å²	103	38.7 Å²	38.7	54%	0.539	19%	0.186	S	C	.	.	H	α-helix	trans	-59.7	-49.7	177	-177.6	62.8	0	0	0	111.3	M187 I218 W220 T225 Y226	M187-L222 HydrophobicContact CE-CD1 4.19Å; M187-L222 HydrophobicContact SD-CB 3.8Å; M187-L222 HydrophobicContact SD-CD1 4.06Å; M187-L222 HydrophobicContact SD-CG 4.46Å; I218-L222 WeakPolarHBondContact O-CB 3.41Å; I218-L222 PolarHBondContact O-N 2.82Å; W220-L222 PolarHBondContact O-N 3.02Å; L222-T225 PolarHBondContact O-N 2.85Å; L222-Y226 PolarHBondContact O-N 3.06Å
223	W	97.4	Very high	94.9	Very high	86 Å²	86	40.1 Å²	40.1	33%	0.326	18%	0.184	S	C	.	.	H	α-helix	trans	-67.4	-44.4	-178.1	-157.5	-34.2	0	0	0	111.9	I55 L58 A59 Q62 V219 W220 T225 Y226 F227	I55-W223 HydrophobicContact CG2-CE3 4.02Å; I55-W223 HydrophobicContact CG2-CZ3 4Å; L58-W223 HydrophobicContact CD1-CB 4.34Å; L58-W223 HydrophobicContact CD1-CG 4.43Å; A59-W223 HydrophobicContact CB-CH2 4.26Å; A59-W223 HydrophobicContact CB-CZ2 4.13Å; Q62-W223 VanDerWaalsContact NE2-NE1 3.12Å; V219-W223 WeakPolarHBondContact O-CB 3.38Å; V219-W223 PolarHBondContact O-N 3.08Å; W220-W223 PolarHBondContact O-N 3.18Å; W223-T225 VanDerWaalsContact C-N 3.32Å; W223-T225 PolarHBondContact O-N 3.48Å; W223-Y226 WeakPolarHBondContact O-CB 3.43Å; W223-Y226 PolarHBondContact O-N 2.76Å; W223-F227 WeakPolarHBondContact O-CB 3.47Å; W223-F227 PolarHBondContact O-N 3.08Å
224	Q	97.7	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-45.4	176.8	179.6	171.3	-88.3	0	0	110.9	L58 W220 F227 V228 N254 Y354 T358 F362	L58-Q224 HydrophobicContact CD1-CB 3.95Å; W220-Q224 VanDerWaalsContact NE1-OE1 3.09Å; W220-Q224 WeakPolarHBondContact O-CB 3.47Å; W220-Q224 PolarHBondContact O-N 3.4Å; Q224-F227 PolarHBondContact O-N 2.79Å; Q224-V228 WeakPolarHBondContact O-CB 3.12Å; Q224-V228 PolarHBondContact O-N 2.99Å; Q224-N254 PolarHBondContact NE2-ND2 3.23Å; Q224-N254 PolarHBondContact NE2-OD1 2.91Å; Q224-N254 PolarHBondContact OE1-ND2 3.44Å; Q224-Y354 VanDerWaalsContact NE2-CE1 3.34Å; Q224-Y354 PolarHBondContact NE2-OH 2.96Å; Q224-Y354 VanDerWaalsContact NE2-OH 3.16Å; Q224-T358 HydrophobicContact CG-CG2 4.45Å; Q224-T358 PolarHBondContact NE2-OG1 3.19Å; Q224-F362 HydrophobicContact CG-CE2 3.85Å; Q224-F362 HydrophobicContact CG-CZ 3.94Å
225	T	96.6	Very high	94.3	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.08	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-45.4	178.3	-56	0	0	0	0	111.2	V180 V221 L222 W223 F227 V228 F229 Y354	V180-T225 HydrophobicContact CB-CG2 4.36Å; V180-T225 HydrophobicContact CG2-CG2 3.94Å; V221-T225 VanDerWaalsContact O-CB 3.25Å; V221-T225 WeakPolarHBondContact O-CB 3.47Å; V221-T225 PolarHBondContact O-N 3.47Å; V221-T225 PolarHBondContact O-OG1 3.27Å; L222-T225 PolarHBondContact O-N 2.85Å; W223-T225 VanDerWaalsContact C-N 3.32Å; W223-T225 PolarHBondContact O-N 3.48Å; T225-F227 PolarHBondContact O-N 3.17Å; T225-V228 PolarHBondContact O-N 2.67Å; T225-F229 VanDerWaalsContact O-CB 3.3Å; T225-F229 WeakPolarHBondContact O-CB 3.47Å; T225-F229 PolarHBondContact O-N 2.71Å; T225-Y354 PolarHBondContact N-OH 3.37Å; T225-Y354 VanDerWaalsContact OG1-CE2 3.23Å; T225-Y354 WeakPolarHBondContact OG1-CE2 3.47Å; T225-Y354 PolarHBondContact OG1-OH 3Å
226	Y	95.5	Very high	93.9	Very high	111 Å²	111	35.5 Å²	35.5	44%	0.435	16%	0.162	S	C	.	.	H	α-helix	trans	-58.8	-47.2	174.2	174.7	-95.7	0	0	0	112.1	L222 W223 F229 K230 Y231	L222-Y226 PolarHBondContact O-N 3.06Å; W223-Y226 WeakPolarHBondContact O-CB 3.43Å; W223-Y226 PolarHBondContact O-N 2.76Å; Y226-F229 PolarHBondContact O-N 2.88Å; Y226-K230 HydrophobicContact CE1-CD 4.01Å; Y226-K230 HydrophobicContact CE2-CD 4.1Å; Y226-K230 WeakPolarHBondContact O-CB 3.46Å; Y226-K230 PolarHBondContact O-N 3.02Å; Y226-K230 VanDerWaalsContact OH-CD 3.25Å; Y226-K230 WeakPolarHBondContact OH-CD 3.08Å; Y226-K230 PolarHBondContact OH-NZ 3.38Å; Y226-Y231 HydrophobicContact CE1-CE2 4.08Å
227	F	95.7	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-50.1	-179.6	-178	-86.1	0	0	0	111.7	L58 L61 Q62 I65 W223 Q224 T225 F229 K230 Y231 Y247 F362 M365	L58-F227 HydrophobicContact CD2-CB 3.83Å; L58-F227 HydrophobicContact CD2-CD1 3.99Å; L58-F227 HydrophobicContact CD2-CD2 4.09Å; L58-F227 HydrophobicContact CD2-CG 3.69Å; L61-F227 HydrophobicContact CB-CE2 3.74Å; L61-F227 HydrophobicContact CB-CZ 3.97Å; L61-F227 HydrophobicContact CD1-CE1 4.43Å; L61-F227 HydrophobicContact CD1-CE2 4.34Å; L61-F227 HydrophobicContact CD1-CZ 3.89Å; Q62-F227 HydrophobicContact CG-CD2 3.78Å; Q62-F227 HydrophobicContact CG-CE2 4.11Å; I65-F227 HydrophobicContact CD1-CE2 3.96Å; I65-F227 HydrophobicContact CD1-CZ 4.32Å; W223-F227 WeakPolarHBondContact O-CB 3.47Å; W223-F227 PolarHBondContact O-N 3.08Å; Q224-F227 PolarHBondContact O-N 2.79Å; T225-F227 PolarHBondContact O-N 3.17Å; F227-F229 VanDerWaalsContact C-N 3.29Å; F227-F229 PolarHBondContact O-N 3.49Å; F227-K230 PolarHBondContact O-N 2.98Å; F227-Y231 AromaticContact CD2-CD2 3.68Å; F227-Y231 HydrophobicContact CD2-CD2 3.68Å; F227-Y231 HydrophobicContact CD2-CE2 4.46Å; F227-Y231 HydrophobicContact CD2-CG 4.44Å; F227-Y231 AromaticContact CE2-CD2 3.99Å; F227-Y231 HydrophobicContact CE2-CD2 3.99Å; F227-Y231 HydrophobicContact CE2-CG 4.37Å; F227-Y231 HydrophobicContact CG-CD2 4.28Å; F227-Y231 PolarHBondContact O-N 3.35Å; F227-Y247 HydrophobicContact CE1-CE1 4.47Å; F227-F362 AromaticContact CD1-CE1 3.83Å; F227-F362 HydrophobicContact CD1-CE1 3.83Å; F227-F362 HydrophobicContact CD1-CZ 4.28Å; F227-F362 AromaticContact CE1-CE1 3.87Å; F227-F362 HydrophobicContact CE1-CE1 3.87Å; F227-M365 HydrophobicContact CE1-CE 4.47Å; F227-M365 HydrophobicContact CE1-SD 4.18Å
228	V	93.9	Very high	92.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-37.7	178.8	146.2	0	0	0	0	111.8	A179 Q224 T225 H232 T358 F361 F362	A179-V228 HydrophobicContact CB-CG1 4.17Å; Q224-V228 WeakPolarHBondContact O-CB 3.12Å; Q224-V228 PolarHBondContact O-N 2.99Å; T225-V228 PolarHBondContact O-N 2.67Å; V228-H232 WeakPolarHBondContact O-CB 3.47Å; V228-T358 HydrophobicContact CG2-CG2 4.49Å; V228-F361 HydrophobicContact CB-CD2 4.15Å; V228-F361 HydrophobicContact CG1-CD2 3.18Å; V228-F361 HydrophobicContact CG1-CE2 3.4Å; V228-F361 VanDerWaalsContact CG1-CE2 3.4Å; V228-F361 HydrophobicContact CG1-CG 4.19Å; V228-F361 HydrophobicContact CG2-CB 4.28Å; V228-F361 HydrophobicContact CG2-CD2 4.16Å; V228-F362 HydrophobicContact CG2-CE1 4.18Å; V228-F362 HydrophobicContact CG2-CE2 4.1Å; V228-F362 HydrophobicContact CG2-CZ 3.75Å
229	F	92.4	Very high	92	Very high	70 Å²	70	41.7 Å²	41.7	31%	0.307	19%	0.187	S	C	.	.	H	α-helix	trans	-71.8	-48.1	179.8	-170.5	-90.1	0	0	0	112.1	R176 V180 T225 Y226 F227 H232	R176-F229 HydrophobicContact CB-CD2 4.02Å; R176-F229 HydrophobicContact CB-CE2 4.28Å; V180-F229 HydrophobicContact CG2-CD2 3.61Å; V180-F229 HydrophobicContact CG2-CE2 4.1Å; V180-F229 HydrophobicContact CG2-CG 4.38Å; T225-F229 VanDerWaalsContact O-CB 3.3Å; T225-F229 WeakPolarHBondContact O-CB 3.47Å; T225-F229 PolarHBondContact O-N 2.71Å; Y226-F229 PolarHBondContact O-N 2.88Å; F227-F229 VanDerWaalsContact C-N 3.29Å; F227-F229 PolarHBondContact O-N 3.49Å; F229-H232 PolarHBondContact O-CD2 3.22Å
230	K	90.3	Very high	91.5	Very high	47 Å²	47	40.2 Å²	40.2	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-84.1	-49.5	-171.9	-175.6	173	179.7	174.1	0	113.8	Y226 F227 H232	Y226-K230 HydrophobicContact CE1-CD 4.01Å; Y226-K230 HydrophobicContact CE2-CD 4.1Å; Y226-K230 WeakPolarHBondContact O-CB 3.46Å; Y226-K230 PolarHBondContact O-N 3.02Å; Y226-K230 VanDerWaalsContact OH-CD 3.25Å; Y226-K230 WeakPolarHBondContact OH-CD 3.08Å; Y226-K230 PolarHBondContact OH-NZ 3.38Å; F227-K230 PolarHBondContact O-N 2.98Å; K230-H232 PolarHBondContact O-N 3.41Å
231	Y	91	Very high	91	Very high	31 Å²	31	43.8 Å²	43.8	12%	0.122	20%	0.198	C	C	.	.	S	Bend	trans	-92.9	22	-170.9	-61.6	-64.4	0	0	0	113.7	Q62 I65 Y226 F227 R233 V234	Q62-Y231 HydrophobicContact CG-CD2 4.39Å; Q62-Y231 HydrophobicContact CG-CE2 3.94Å; I65-Y231 HydrophobicContact CD1-CD1 3.63Å; I65-Y231 HydrophobicContact CD1-CD2 4.14Å; I65-Y231 HydrophobicContact CD1-CE1 4.17Å; I65-Y231 HydrophobicContact CD1-CG 3.59Å; I65-Y231 HydrophobicContact CG2-CD1 3.94Å; I65-Y231 HydrophobicContact CG2-CE1 3.69Å; Y226-Y231 HydrophobicContact CE1-CE2 4.08Å; F227-Y231 AromaticContact CD2-CD2 3.68Å; F227-Y231 HydrophobicContact CD2-CD2 3.68Å; F227-Y231 HydrophobicContact CD2-CE2 4.46Å; F227-Y231 HydrophobicContact CD2-CG 4.44Å; F227-Y231 AromaticContact CE2-CD2 3.99Å; F227-Y231 HydrophobicContact CE2-CD2 3.99Å; F227-Y231 HydrophobicContact CE2-CG 4.37Å; F227-Y231 HydrophobicContact CG-CD2 4.28Å; F227-Y231 PolarHBondContact O-N 3.35Å; Y231-R233 PolarHBondContact O-N 3.29Å; Y231-R233 VanDerWaalsContact O-N 3.15Å; Y231-V234 HydrophobicContact CD1-CG2 4.16Å; Y231-V234 PolarHBondContact O-N 2.97Å
232	H	90.7	Very high	90.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.2	-167	94.1	94.5	0	0	0	115.1	M171 R176 V228 F229 K230 M365 R368	M171-H232 HydrophobicContact CE-CB 3.45Å; M171-H232 VanDerWaalsContact CE-CB 3.45Å; M171-H232 PolarHBondContact N-CE1 3Å; M171-H232 PolarHBondContact N-ND1 3.29Å; R176-H232 VanDerWaalsContact CZ-NE2 3.35Å; R176-H232 PolarHBondContact NH1-CD2 2.9Å; R176-H232 PolarHBondContact NH1-NE2 3.46Å; V228-H232 WeakPolarHBondContact O-CB 3.47Å; F229-H232 PolarHBondContact O-CD2 3.22Å; K230-H232 PolarHBondContact O-N 3.41Å; H232-M365 HydrophobicContact CB-CE 4.49Å; H232-R368 PolarHBondContact O-NH1 2.93Å
233	R	87.9	Confident	90.4	Very high	87 Å²	87	41.4 Å²	41.4	33%	0.328	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-10.7	178.6	-48.2	-169	179.7	-164.4	-2.7	113.6	I166 H167 Y231	I166-R233 HydrophobicContact CG2-CB 3.98Å; H167-R233 PolarHBondContact N-O 2.83Å; Y231-R233 PolarHBondContact O-N 3.29Å; Y231-R233 VanDerWaalsContact O-N 3.15Å
234	V	87	Confident	90.1	Very high	17 Å²	17	39.7 Å²	39.7	10%	0.103	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	-169	-179.9	0	0	0	0	109.6	I65 I164 Y231	I65-V234 HydrophobicContact CD1-CG1 4.36Å; I65-V234 HydrophobicContact CG1-CG1 4.13Å; I65-V234 HydrophobicContact CG2-CG1 4.47Å; I164-V234 HydrophobicContact CG2-CG1 3.54Å; Y231-V234 HydrophobicContact CD1-CG2 4.16Å; Y231-V234 PolarHBondContact O-N 2.97Å
235	I	87.3	Confident	89.8	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.4	173.8	-60.4	174	0	0	0	107.8	I164 S165 H167 R368 L369 T372	I164-I235 WeakPolarHBondContact CA-O 3.41Å; S165-I235 PolarHBondContact N-O 2.95Å; S165-I235 PolarHBondContact O-N 3.5Å; S165-I235 WeakPolarHBondContact OG-CB 3.37Å; H167-I235 HydrophobicContact CB-CD1 3.82Å; H167-I235 HydrophobicContact CB-CG1 4.35Å; I235-R368 HydrophobicContact CD1-CB 4.4Å; I235-L369 HydrophobicContact CG2-CD1 3.8Å; I235-T372 HydrophobicContact CD1-CG2 4.25Å
236	L	87.2	Confident	89.6	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.1	177.6	-68.2	171.8	0	0	0	110	L61 L64 I65 I164 V243 L369	L61-L236 HydrophobicContact CD2-CD1 4.02Å; L64-L236 HydrophobicContact CB-CD1 4.08Å; L64-L236 HydrophobicContact CB-CD2 4.36Å; L64-L236 HydrophobicContact CD1-CD1 4.35Å; I65-L236 HydrophobicContact CG1-CD1 4.04Å; I65-L236 HydrophobicContact CG1-CD2 3.73Å; I65-L236 HydrophobicContact CG1-CG 4.16Å; I164-L236 HydrophobicContact CD1-CD2 4.14Å; I164-L236 HydrophobicContact CG1-CD2 4.02Å; L236-V243 HydrophobicContact CB-CG1 4.25Å; L236-V243 HydrophobicContact CB-CG2 4.03Å; L236-V243 HydrophobicContact CD1-CG1 4.43Å; L236-V243 HydrophobicContact CD1-CG2 4.08Å; L236-L369 VanDerWaalsContact O-CD1 3.29Å; L236-L369 WeakPolarHBondContact O-CD1 3.33Å
237	H	84.1	Confident	89.6	Confident	59 Å²	59	37.3 Å²	37.3	27%	0.273	18%	0.175	S	C	.	.			trans	-90.4	-14.5	175	-61.9	123.2	0	0	0	113.1	P162 Y163 S165	P162-H237 PolarHBondContact O-ND1 3.27Å; Y163-H237 PolarHBondContact O-N 3.12Å; S165-H237 VanDerWaalsContact CB-CE1 3.48Å; S165-H237 WeakPolarHBondContact CB-CE1 3.2Å; S165-H237 PolarHBondContact OG-CE1 3.3Å
238	R	82.8	Confident	89.4	Confident	79 Å²	79	38.6 Å²	38.6	30%	0.298	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	142.1	179.3	-166.1	-177.1	171.6	173.8	-2.5	111.5	L240 V243	R238-L240 VanDerWaalsContact C-N 3.28Å; R238-L240 PolarHBondContact O-N 2.85Å; R238-V243 WeakPolarHBondContact O-CG2 3.4Å
239	H	84.7	Confident	89.4	Confident	90 Å²	90	39.3 Å²	39.3	42%	0.417	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	47.3	-179	-62.4	-70.7	0	0	0	112.7	V241 T242 V243	H239-V241 VanDerWaalsContact C-N 3.27Å; H239-V241 PolarHBondContact O-N 3.43Å; H239-V241 VanDerWaalsContact O-N 3.13Å; H239-T242 WeakPolarHBondContact O-CA 3.4Å; H239-T242 WeakPolarHBondContact O-CB 3.33Å; H239-T242 PolarHBondContact O-N 3.43Å; H239-V243 PolarHBondContact O-N 3.3Å
240	L	87.1	Confident	89.6	Confident	34 Å²	34	36 Å²	36	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-49.3	-44.2	-172.3	-171.3	81	0	0	0	113.9	R238 T242 V243 R244 L369 F373	R238-L240 VanDerWaalsContact C-N 3.28Å; R238-L240 PolarHBondContact O-N 2.85Å; L240-T242 VanDerWaalsContact C-N 3.34Å; L240-T242 PolarHBondContact O-N 3.29Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-R244 WeakPolarHBondContact O-CB 3.5Å; L240-R244 WeakPolarHBondContact O-CG 3.42Å; L240-R244 PolarHBondContact O-N 3.46Å; L240-L369 HydrophobicContact CD1-CD1 3.51Å; L240-L369 HydrophobicContact CD1-CD2 3.78Å; L240-L369 HydrophobicContact CD1-CG 3.62Å; L240-F373 HydrophobicContact CD1-CE2 3.98Å; L240-F373 HydrophobicContact CD1-CZ 3.95Å; L240-F373 HydrophobicContact CD2-CE1 4.26Å; L240-F373 HydrophobicContact CD2-CE2 3.69Å; L240-F373 HydrophobicContact CD2-CZ 3.27Å; L240-F373 HydrophobicContact CG-CE2 4.46Å; L240-F373 HydrophobicContact CG-CZ 4.23Å
241	V	87.1	Confident	89.8	Confident	75 Å²	75	34.7 Å²	34.7	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-44.7	-179.9	-179.7	0	0	0	0	110.7	T2 H239 R244 L245	T2-V241 HydrophobicContact CG2-CG1 4.19Å; T2-V241 HydrophobicContact CG2-CG2 3.98Å; H239-V241 VanDerWaalsContact C-N 3.27Å; H239-V241 PolarHBondContact O-N 3.43Å; H239-V241 VanDerWaalsContact O-N 3.13Å; V241-R244 PolarHBondContact O-N 3.09Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 PolarHBondContact O-N 3.19Å
242	T	89.3	Confident	89.9	Confident	55 Å²	55	33.8 Å²	33.8	34%	0.337	17%	0.166	S	C	.	.	H	α-helix	trans	-66.5	-42.7	177	-45.7	0	0	0	0	111.2	Y60 H239 L240 R244 L245 S246	Y60-T242 HydrophobicContact CD1-CG2 4.32Å; Y60-T242 HydrophobicContact CE1-CG2 3.46Å; Y60-T242 VanDerWaalsContact CE1-CG2 3.46Å; H239-T242 WeakPolarHBondContact O-CA 3.4Å; H239-T242 WeakPolarHBondContact O-CB 3.33Å; H239-T242 PolarHBondContact O-N 3.43Å; L240-T242 VanDerWaalsContact C-N 3.34Å; L240-T242 PolarHBondContact O-N 3.29Å; T242-R244 PolarHBondContact O-N 3.19Å; T242-L245 WeakPolarHBondContact O-CB 3.18Å; T242-L245 PolarHBondContact O-N 2.99Å; T242-S246 WeakPolarHBondContact O-CB 3.45Å; T242-S246 PolarHBondContact O-N 3.04Å; T242-S246 PolarHBondContact O-OG 3.48Å
243	V	92.1	Very high	90.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-42.7	177	175.3	0	0	0	0	111.3	L61 L64 L236 R238 H239 L240 S246 Y247 L369	L61-V243 HydrophobicContact CD2-CG1 4.37Å; L61-V243 HydrophobicContact CD2-CG2 4.43Å; L64-V243 HydrophobicContact CD1-CG2 3.9Å; L236-V243 HydrophobicContact CB-CG1 4.25Å; L236-V243 HydrophobicContact CB-CG2 4.03Å; L236-V243 HydrophobicContact CD1-CG1 4.43Å; L236-V243 HydrophobicContact CD1-CG2 4.08Å; R238-V243 WeakPolarHBondContact O-CG2 3.4Å; H239-V243 PolarHBondContact O-N 3.3Å; L240-V243 PolarHBondContact O-N 3.19Å; V243-S246 WeakPolarHBondContact O-CB 3.38Å; V243-S246 PolarHBondContact O-N 3.4Å; V243-Y247 HydrophobicContact CG1-CD2 3.83Å; V243-Y247 HydrophobicContact CG1-CE2 3.3Å; V243-Y247 WeakPolarHBondContact O-CD2 3.4Å; V243-Y247 PolarHBondContact O-N 3.32Å; V243-L369 HydrophobicContact CB-CD2 4.36Å; V243-L369 HydrophobicContact CG1-CD2 3.82Å
244	R	91.5	Very high	90.4	Very high	51 Å²	51	29.6 Å²	29.6	19%	0.192	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-46.9	173.3	-76.1	-179.7	169.5	157.5	3.7	111.5	L6 L240 V241 T242 S246 Y247 I248 L366 L369 D370	L6-R244 HydrophobicContact CD1-CB 3.92Å; L6-R244 HydrophobicContact CD2-CB 4.46Å; L240-R244 WeakPolarHBondContact O-CB 3.5Å; L240-R244 WeakPolarHBondContact O-CG 3.42Å; L240-R244 PolarHBondContact O-N 3.46Å; V241-R244 PolarHBondContact O-N 3.09Å; T242-R244 PolarHBondContact O-N 3.19Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.48Å; R244-Y247 PolarHBondContact O-N 2.98Å; R244-I248 WeakPolarHBondContact O-CB 3.41Å; R244-I248 VanDerWaalsContact O-CG1 3.32Å; R244-I248 WeakPolarHBondContact O-CG1 3.36Å; R244-I248 PolarHBondContact O-N 3.06Å; R244-L366 HydrophobicContact CB-CD1 4.09Å; R244-L366 HydrophobicContact CG-CD1 3.91Å; R244-L369 HydrophobicContact CG-CD2 3.64Å; R244-D370 IonicContact CZ-OD1 3.12Å; R244-D370 IonicContact NE-OD1 3.33Å; R244-D370 PolarHBondContact NE-OD1 3.44Å; R244-D370 IonicContact NH2-OD1 2.7Å; R244-D370 PolarHBondContact NH2-OD1 3.47Å
245	L	91.4	Very high	90.7	Very high	62 Å²	62	32.9 Å²	32.9	33%	0.325	16%	0.164	S	C	.	.	H	α-helix	trans	-59.6	-42.7	176.5	-174.9	69.4	0	0	0	111.3	L6 F9 V241 T242 I248 H249	L6-L245 HydrophobicContact CD2-CB 3.66Å; L6-L245 HydrophobicContact CD2-CD1 3.66Å; L6-L245 HydrophobicContact CD2-CG 4.28Å; F9-L245 HydrophobicContact CB-CD1 4.16Å; F9-L245 HydrophobicContact CD1-CD1 3.45Å; F9-L245 VanDerWaalsContact CD1-CD1 3.45Å; F9-L245 HydrophobicContact CD2-CD1 4.26Å; F9-L245 HydrophobicContact CE1-CD1 3.76Å; F9-L245 HydrophobicContact CE1-CG 4.39Å; F9-L245 HydrophobicContact CG-CD1 3.71Å; F9-L245 HydrophobicContact CZ-CD1 4.26Å; V241-L245 WeakPolarHBondContact O-CB 3.32Å; V241-L245 PolarHBondContact O-N 3.19Å; T242-L245 WeakPolarHBondContact O-CB 3.18Å; T242-L245 PolarHBondContact O-N 2.99Å; L245-I248 PolarHBondContact O-N 2.79Å; L245-H249 VanDerWaalsContact O-CB 3.26Å; L245-H249 WeakPolarHBondContact O-CB 3.47Å; L245-H249 PolarHBondContact O-N 2.93Å
246	S	93.2	Very high	90.9	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-48.4	177.4	-65.4	0	0	0	0	112.6	V57 T242 V243 R244 H249 L250	V57-S246 WeakPolarHBondContact CG1-OG 3.5Å; T242-S246 WeakPolarHBondContact O-CB 3.45Å; T242-S246 PolarHBondContact O-N 3.04Å; T242-S246 PolarHBondContact O-OG 3.48Å; V243-S246 WeakPolarHBondContact O-CB 3.38Å; V243-S246 PolarHBondContact O-N 3.4Å; R244-S246 VanDerWaalsContact C-N 3.3Å; R244-S246 PolarHBondContact O-N 3.48Å; S246-H249 PolarHBondContact O-N 2.91Å; S246-L250 VanDerWaalsContact O-CG 3.3Å; S246-L250 WeakPolarHBondContact O-CG 3.3Å; S246-L250 PolarHBondContact O-N 3.13Å
247	Y	93.9	Very high	91.2	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-67.1	-38.5	178.8	-66.1	-39.4	0	0	0	112.5	L61 F227 V243 R244 L250 A251 F362 M365 L369	L61-Y247 HydrophobicContact CD1-CD1 4.28Å; L61-Y247 HydrophobicContact CD1-CE1 3.98Å; L61-Y247 HydrophobicContact CD2-CE1 4.43Å; F227-Y247 HydrophobicContact CE1-CE1 4.47Å; V243-Y247 HydrophobicContact CG1-CD2 3.83Å; V243-Y247 HydrophobicContact CG1-CE2 3.3Å; V243-Y247 WeakPolarHBondContact O-CD2 3.4Å; V243-Y247 PolarHBondContact O-N 3.32Å; R244-Y247 PolarHBondContact O-N 2.98Å; Y247-L250 PolarHBondContact O-N 3.34Å; Y247-A251 WeakPolarHBondContact O-CB 3.35Å; Y247-A251 PolarHBondContact O-N 2.97Å; Y247-F362 HydrophobicContact CD1-CD1 4.01Å; Y247-M365 HydrophobicContact CD1-CB 4.42Å; Y247-M365 HydrophobicContact CD2-CB 4.42Å; Y247-M365 HydrophobicContact CE1-CB 4.27Å; Y247-M365 HydrophobicContact CE1-SD 3.96Å; Y247-M365 HydrophobicContact CE2-CB 4.26Å; Y247-L369 HydrophobicContact CD2-CD2 4.46Å; Y247-L369 HydrophobicContact CE2-CD2 4.39Å
248	I	92.7	Very high	91.6	Very high	28 Å²	28	31.5 Å²	31.5	14%	0.144	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-43.9	174.6	-70.9	172.5	0	0	0	110.8	L6 A10 R244 L245 A251 T252 L366	L6-I248 HydrophobicContact CB-CD1 3.78Å; L6-I248 HydrophobicContact CD1-CD1 4Å; L6-I248 HydrophobicContact CD2-CD1 4.14Å; L6-I248 HydrophobicContact CG-CD1 4.18Å; A10-I248 HydrophobicContact CB-CG2 3.63Å; R244-I248 WeakPolarHBondContact O-CB 3.41Å; R244-I248 VanDerWaalsContact O-CG1 3.32Å; R244-I248 WeakPolarHBondContact O-CG1 3.36Å; R244-I248 PolarHBondContact O-N 3.06Å; L245-I248 PolarHBondContact O-N 2.79Å; I248-A251 PolarHBondContact O-N 3.28Å; I248-T252 VanDerWaalsContact O-CB 3.28Å; I248-T252 WeakPolarHBondContact O-CB 3.07Å; I248-T252 PolarHBondContact O-N 3.43Å; I248-T252 PolarHBondContact O-OG1 2.94Å; I248-L366 HydrophobicContact CD1-CD2 4.04Å; I248-L366 HydrophobicContact CG1-CD1 4.3Å; I248-L366 HydrophobicContact CG1-CD2 3.5Å; I248-L366 VanDerWaalsContact CG1-CD2 3.5Å
249	H	93.8	Very high	91.9	Very high	16 Å²	16	28.7 Å²	28.7	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-51.4	176.4	-175.9	45.5	0	0	0	111.5	F9 Q13 L245 S246 A251 T252 I253	F9-H249 HydrophobicContact CE1-CB 3.79Å; F9-H249 AromaticContact CE1-ND1 3.78Å; F9-H249 HydrophobicContact CZ-CB 4.28Å; F9-H249 AromaticContact CZ-ND1 3.72Å; Q13-H249 VanDerWaalsContact CD-ND1 3.32Å; Q13-H249 PolarHBondContact NE2-CE1 3.16Å; Q13-H249 PolarHBondContact NE2-ND1 3.41Å; Q13-H249 PolarHBondContact OE1-ND1 3.23Å; L245-H249 VanDerWaalsContact O-CB 3.26Å; L245-H249 WeakPolarHBondContact O-CB 3.47Å; L245-H249 PolarHBondContact O-N 2.93Å; S246-H249 PolarHBondContact O-N 2.91Å; H249-A251 PolarHBondContact O-N 2.87Å; H249-T252 PolarHBondContact O-N 2.91Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.31Å; H249-I253 WeakPolarHBondContact NE2-CD1 3.38Å; H249-I253 WeakPolarHBondContact O-CG1 3.25Å; H249-I253 PolarHBondContact O-N 2.91Å
250	L	96	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-39.8	-179.2	-68.4	170.3	0	0	0	112.1	A54 V57 L58 L61 S246 Y247 T252 N254 F362	A54-L250 HydrophobicContact CB-CD2 4Å; V57-L250 HydrophobicContact CG1-CD1 3.93Å; V57-L250 HydrophobicContact CG1-CD2 4.41Å; V57-L250 HydrophobicContact CG1-CG 4.02Å; L58-L250 HydrophobicContact CD2-CD1 3.9Å; L58-L250 HydrophobicContact CD2-CD2 4.35Å; L58-L250 HydrophobicContact CG-CD1 4.4Å; L58-L250 HydrophobicContact CG-CD2 4.12Å; L61-L250 HydrophobicContact CD1-CD1 3.83Å; S246-L250 VanDerWaalsContact O-CG 3.3Å; S246-L250 WeakPolarHBondContact O-CG 3.3Å; S246-L250 PolarHBondContact O-N 3.13Å; Y247-L250 PolarHBondContact O-N 3.34Å; L250-T252 VanDerWaalsContact C-N 3.34Å; L250-N254 PolarHBondContact O-N 3.29Å; L250-N254 PolarHBondContact O-ND2 3.4Å; L250-F362 HydrophobicContact CB-CB 4.41Å; L250-F362 HydrophobicContact CB-CD1 4.03Å; L250-F362 HydrophobicContact CB-CD2 3.63Å; L250-F362 HydrophobicContact CB-CE1 4.18Å; L250-F362 HydrophobicContact CB-CE2 3.79Å; L250-F362 HydrophobicContact CB-CG 3.76Å; L250-F362 HydrophobicContact CB-CZ 4.07Å; L250-F362 HydrophobicContact CD1-CD1 3.94Å; L250-F362 HydrophobicContact CD1-CE1 3.53Å; L250-F362 HydrophobicContact CD1-CE2 4.36Å; L250-F362 HydrophobicContact CD1-CZ 3.77Å; L250-F362 HydrophobicContact CG-CE1 4.45Å; L250-F362 HydrophobicContact CG-CZ 4.38Å
251	A	94.4	Very high	92.4	Very high	19 Å²	19	25.8 Å²	25.8	16%	0.157	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-42.2	173.2	0	0	0	0	0	111.6	Y247 I248 H249 N254 F255 F362	Y247-A251 WeakPolarHBondContact O-CB 3.35Å; Y247-A251 PolarHBondContact O-N 2.97Å; I248-A251 PolarHBondContact O-N 3.28Å; H249-A251 PolarHBondContact O-N 2.87Å; A251-N254 PolarHBondContact O-N 3.33Å; A251-F255 PolarHBondContact O-N 2.78Å; A251-F255 VanDerWaalsContact O-N 3.09Å; A251-F362 HydrophobicContact CB-CB 4.05Å
252	T	93.4	Very high	92.4	Very high	13 Å²	13	22.4 Å²	22.4	8%	0.08	11%	0.112	C	C	.	.	H	α-helix	trans	-67.3	-43.4	-179	-57	0	0	0	0	112.1	Q13 C14 I248 H249 L250 N254 F255 C256	Q13-T252 HydrophobicContact CB-CG2 3.72Å; C14-T252 VanDerWaalsContact SG-CG2 3.59Å; I248-T252 VanDerWaalsContact O-CB 3.28Å; I248-T252 WeakPolarHBondContact O-CB 3.07Å; I248-T252 PolarHBondContact O-N 3.43Å; I248-T252 PolarHBondContact O-OG1 2.94Å; H249-T252 PolarHBondContact O-N 2.91Å; L250-T252 VanDerWaalsContact C-N 3.34Å; T252-N254 VanDerWaalsContact C-N 3.34Å; T252-N254 PolarHBondContact O-N 3.35Å; T252-F255 WeakPolarHBondContact O-CB 3.34Å; T252-F255 PolarHBondContact O-N 3.47Å; T252-C256 PolarHBondContact O-N 3.49Å; T252-C256 PolarHBondContact O-SG 2.89Å
253	I	94.4	Very high	92.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-44.8	177.5	-67.5	159.8	0	0	0	111	Q50 A54 W220 H249 F255 C256 H257	Q50-I253 HydrophobicContact CB-CG1 4.41Å; Q50-I253 HydrophobicContact CB-CG2 4.41Å; A54-I253 HydrophobicContact CB-CD1 3.68Å; W220-I253 HydrophobicContact CH2-CG2 3.57Å; W220-I253 HydrophobicContact CZ2-CG2 3.57Å; W220-I253 HydrophobicContact CZ3-CG2 4.39Å; H249-I253 WeakPolarHBondContact CE1-CD1 3.31Å; H249-I253 WeakPolarHBondContact NE2-CD1 3.38Å; H249-I253 WeakPolarHBondContact O-CG1 3.25Å; H249-I253 PolarHBondContact O-N 2.91Å; I253-F255 VanDerWaalsContact C-N 3.3Å; I253-F255 PolarHBondContact O-N 3.5Å; I253-C256 PolarHBondContact O-N 3.26Å; I253-H257 WeakPolarHBondContact O-CB 3.49Å; I253-H257 PolarHBondContact O-N 3.28Å
254	N	95.2	Very high	91.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-39.1	177.6	-77.7	-68.8	0	0	0	111.5	Q224 L250 A251 T252 H257 W258 S355 T358	Q224-N254 PolarHBondContact NE2-ND2 3.23Å; Q224-N254 PolarHBondContact NE2-OD1 2.91Å; Q224-N254 PolarHBondContact OE1-ND2 3.44Å; L250-N254 PolarHBondContact O-N 3.29Å; L250-N254 PolarHBondContact O-ND2 3.4Å; A251-N254 PolarHBondContact O-N 3.33Å; T252-N254 VanDerWaalsContact C-N 3.34Å; T252-N254 PolarHBondContact O-N 3.35Å; N254-H257 PolarHBondContact O-N 3.43Å; N254-W258 PolarHBondContact O-N 2.88Å; N254-S355 WeakPolarHBondContact CB-O 3.49Å; N254-S355 WeakPolarHBondContact O-CB 3.48Å; N254-T358 VanDerWaalsContact CG-OG1 3.25Å; N254-T358 PolarHBondContact OD1-OG1 2.97Å
255	F	92.5	Very high	91.6	Very high	86 Å²	86	21 Å²	21	38%	0.377	11%	0.109	S	C	.	.	H	α-helix	trans	-64.5	-44.7	173.7	-178.3	-114	0	0	0	113.1	F18 A251 T252 I253 H257 W258 L259	F18-F255 HydrophobicContact CE2-CD1 4.15Å; F18-F255 AromaticContact CE2-CE1 3.5Å; F18-F255 HydrophobicContact CE2-CE1 3.5Å; F18-F255 VanDerWaalsContact CE2-CE1 3.5Å; F18-F255 HydrophobicContact CE2-CZ 4.28Å; F18-F255 AromaticContact CZ-CE1 3.49Å; F18-F255 HydrophobicContact CZ-CE1 3.49Å; F18-F255 VanDerWaalsContact CZ-CE1 3.49Å; F18-F255 AromaticContact CZ-CZ 3.82Å; F18-F255 HydrophobicContact CZ-CZ 3.82Å; A251-F255 PolarHBondContact O-N 2.78Å; A251-F255 VanDerWaalsContact O-N 3.09Å; T252-F255 WeakPolarHBondContact O-CB 3.34Å; T252-F255 PolarHBondContact O-N 3.47Å; I253-F255 VanDerWaalsContact C-N 3.3Å; I253-F255 PolarHBondContact O-N 3.5Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 2.99Å; F255-W258 AromaticContact CD2-CE3 3.75Å; F255-W258 HydrophobicContact CD2-CE3 3.75Å; F255-W258 HydrophobicContact CD2-CZ3 4.11Å; F255-W258 AromaticContact CE2-CE3 3.58Å; F255-W258 HydrophobicContact CE2-CE3 3.58Å; F255-W258 AromaticContact CE2-CZ3 3.43Å; F255-W258 HydrophobicContact CE2-CZ3 3.43Å; F255-W258 VanDerWaalsContact CE2-CZ3 3.43Å; F255-W258 HydrophobicContact CZ-CE3 4.42Å; F255-W258 HydrophobicContact CZ-CZ3 4.07Å; F255-W258 WeakPolarHBondContact O-CB 3.36Å; F255-W258 PolarHBondContact O-N 2.9Å; F255-L259 PolarHBondContact O-N 3.47Å
256	C	93.3	Very high	91.1	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-39.2	175.7	-67.6	0	0	0	0	111.9	T252 I253 L259 K260	T252-C256 PolarHBondContact O-N 3.49Å; T252-C256 PolarHBondContact O-SG 2.89Å; I253-C256 PolarHBondContact O-N 3.26Å; C256-L259 PolarHBondContact O-N 3.41Å; C256-K260 WeakPolarHBondContact O-CB 3.21Å; C256-K260 PolarHBondContact O-N 3.37Å
257	H	93.4	Very high	90.6	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-44.4	176.8	-176.3	-99.4	0	0	0	111.6	Y51 R217 I253 N254 F255 L259 K260 V261 S355	Y51-H257 PolarHBondContact OH-CD2 3.3Å; R217-H257 PolarHBondContact NH1-NE2 2.92Å; I253-H257 WeakPolarHBondContact O-CB 3.49Å; I253-H257 PolarHBondContact O-N 3.28Å; N254-H257 PolarHBondContact O-N 3.43Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-N 2.99Å; H257-L259 PolarHBondContact O-N 3.33Å; H257-K260 PolarHBondContact O-N 3.32Å; H257-V261 WeakPolarHBondContact O-CG2 3.4Å; H257-V261 PolarHBondContact O-N 3.34Å; H257-S355 PolarHBondContact ND1-OG 2.76Å
258	W	91.8	Very high	89.8	Confident	37 Å²	37	21.9 Å²	21.9	14%	0.14	12%	0.115	C	C	.	.	H	α-helix	trans	-53.1	-52.7	172.1	166.3	68.7	0	0	0	111.5	N254 F255 K260 V261 V262 L356 L668	N254-W258 PolarHBondContact O-N 2.88Å; F255-W258 AromaticContact CD2-CE3 3.75Å; F255-W258 HydrophobicContact CD2-CE3 3.75Å; F255-W258 HydrophobicContact CD2-CZ3 4.11Å; F255-W258 AromaticContact CE2-CE3 3.58Å; F255-W258 HydrophobicContact CE2-CE3 3.58Å; F255-W258 AromaticContact CE2-CZ3 3.43Å; F255-W258 HydrophobicContact CE2-CZ3 3.43Å; F255-W258 VanDerWaalsContact CE2-CZ3 3.43Å; F255-W258 HydrophobicContact CZ-CE3 4.42Å; F255-W258 HydrophobicContact CZ-CZ3 4.07Å; F255-W258 WeakPolarHBondContact O-CB 3.36Å; F255-W258 PolarHBondContact O-N 2.9Å; W258-K260 PolarHBondContact O-N 3.16Å; W258-V261 PolarHBondContact O-N 3.13Å; W258-V262 HydrophobicContact CZ2-CG2 4.4Å; W258-V262 WeakPolarHBondContact O-CG2 3.13Å; W258-V262 PolarHBondContact O-N 2.98Å; W258-L356 HydrophobicContact CD2-CD2 4.22Å; W258-L356 HydrophobicContact CG-CD2 4.06Å; W258-L356 HydrophobicContact CG-CG 4.42Å; W258-L668 HydrophobicContact CZ2-CD2 4.24Å
259	L	89.8	Confident	88.9	Confident	20 Å²	20	21.2 Å²	21.2	11%	0.105	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-45.6	179.9	-177.2	80.4	0	0	0	111.9	F18 F255 C256 H257 V261 V262 V263	F18-L259 HydrophobicContact CB-CD2 3.86Å; F18-L259 HydrophobicContact CD1-CD1 4.29Å; F18-L259 HydrophobicContact CD1-CD2 3.22Å; F18-L259 HydrophobicContact CD1-CG 4.37Å; F18-L259 HydrophobicContact CD2-CD2 3.29Å; F18-L259 HydrophobicContact CE1-CD1 3.9Å; F18-L259 HydrophobicContact CE1-CD2 3.44Å; F18-L259 VanDerWaalsContact CE1-CD2 3.44Å; F18-L259 HydrophobicContact CE1-CG 4.29Å; F18-L259 HydrophobicContact CE2-CD2 3.57Å; F18-L259 HydrophobicContact CG-CD2 3.16Å; F18-L259 HydrophobicContact CZ-CD1 4.28Å; F18-L259 HydrophobicContact CZ-CD2 3.63Å; F18-L259 HydrophobicContact CZ-CG 4.47Å; F255-L259 PolarHBondContact O-N 3.47Å; C256-L259 PolarHBondContact O-N 3.41Å; H257-L259 PolarHBondContact O-N 3.33Å; L259-V261 PolarHBondContact O-N 3.45Å; L259-V262 PolarHBondContact O-N 3.33Å; L259-V262 VanDerWaalsContact O-N 3.12Å; L259-V263 HydrophobicContact CD1-CG2 4.29Å; L259-V263 HydrophobicContact CG-CG2 4.08Å; L259-V263 WeakPolarHBondContact O-CG2 3.3Å; L259-V263 PolarHBondContact O-N 3.44Å
260	K	91.6	Very high	88.1	Confident	51 Å²	51	23.3 Å²	23.3	22%	0.222	12%	0.124	C	C	.	.	H	α-helix	trans	-55.6	-42.5	178.3	178	-91.2	166.6	-166.1	0	111.3	P21 C256 H257 W258 S264	P21-K260 HydrophobicContact CB-CB 4.27Å; P21-K260 HydrophobicContact CB-CG 4.15Å; P21-K260 HydrophobicContact CG-CB 3.87Å; P21-K260 HydrophobicContact CG-CG 3.91Å; C256-K260 WeakPolarHBondContact O-CB 3.21Å; C256-K260 PolarHBondContact O-N 3.37Å; H257-K260 PolarHBondContact O-N 3.32Å; W258-K260 PolarHBondContact O-N 3.16Å; K260-S264 VanDerWaalsContact O-CB 3.25Å; K260-S264 WeakPolarHBondContact O-CB 3.5Å; K260-S264 PolarHBondContact O-N 3.36Å
261	V	89.4	Confident	86.9	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-47.3	177.6	175.3	0	0	0	0	110.1	H257 W258 L259 V263 S264 E265 Y348 I352	H257-V261 WeakPolarHBondContact O-CG2 3.4Å; H257-V261 PolarHBondContact O-N 3.34Å; W258-V261 PolarHBondContact O-N 3.13Å; L259-V261 PolarHBondContact O-N 3.45Å; V261-V263 PolarHBondContact O-N 3.43Å; V261-S264 WeakPolarHBondContact O-CB 3.27Å; V261-S264 PolarHBondContact O-N 2.99Å; V261-E265 WeakPolarHBondContact O-CG 3.36Å; V261-E265 PolarHBondContact O-N 2.9Å; V261-Y348 HydrophobicContact CG1-CD2 4.22Å; V261-I352 HydrophobicContact CB-CG1 4.27Å; V261-I352 HydrophobicContact CG1-CD1 3.99Å; V261-I352 HydrophobicContact CG1-CG1 3.74Å
262	V	87.3	Confident	85.4	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-49	177.6	172.2	0	0	0	0	111.6	W258 L259 S264 E265 V266 I352 P667	W258-V262 HydrophobicContact CZ2-CG2 4.4Å; W258-V262 WeakPolarHBondContact O-CG2 3.13Å; W258-V262 PolarHBondContact O-N 2.98Å; L259-V262 PolarHBondContact O-N 3.33Å; L259-V262 VanDerWaalsContact O-N 3.12Å; V262-S264 VanDerWaalsContact C-N 3.34Å; V262-S264 PolarHBondContact O-N 3.47Å; V262-E265 PolarHBondContact O-N 3.16Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.31Å; V262-I352 HydrophobicContact CG2-CD1 4.33Å; V262-P667 HydrophobicContact CG2-CG 4.5Å
263	V	87.2	Confident	83.2	Confident	14 Å²	14	35.8 Å²	35.8	9%	0.085	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-42.3	-179.8	172.3	0	0	0	0	111.1	P21 I22 S25 F26 L259 V261 E265 V266 A267	P21-V263 HydrophobicContact CB-CB 4.31Å; P21-V263 HydrophobicContact CB-CG1 4.11Å; I22-V263 HydrophobicContact CG1-CG1 4.07Å; I22-V263 HydrophobicContact CG1-CG2 4.22Å; S25-V263 WeakPolarHBondContact OG-CG1 3.49Å; F26-V263 HydrophobicContact CE2-CG1 4.41Å; L259-V263 HydrophobicContact CD1-CG2 4.29Å; L259-V263 HydrophobicContact CG-CG2 4.08Å; L259-V263 WeakPolarHBondContact O-CG2 3.3Å; L259-V263 PolarHBondContact O-N 3.44Å; V261-V263 PolarHBondContact O-N 3.43Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.88Å; V263-V266 PolarHBondContact O-N 3.01Å; V263-A267 WeakPolarHBondContact O-CB 3.38Å; V263-A267 PolarHBondContact O-N 3.01Å
264	S	84.7	Confident	80.8	Confident	43 Å²	43	39.3 Å²	39.3	30%	0.301	21%	0.213	S	C	.	.	H	α-helix	trans	-60.3	-41.7	175.9	-174	0	0	0	0	112.3	K260 V261 V262 A267 L268	K260-S264 VanDerWaalsContact O-CB 3.25Å; K260-S264 WeakPolarHBondContact O-CB 3.5Å; K260-S264 PolarHBondContact O-N 3.36Å; V261-S264 WeakPolarHBondContact O-CB 3.27Å; V261-S264 PolarHBondContact O-N 2.99Å; V262-S264 VanDerWaalsContact C-N 3.34Å; V262-S264 PolarHBondContact O-N 3.47Å; S264-A267 PolarHBondContact O-N 3.19Å; S264-L268 WeakPolarHBondContact O-CB 3.34Å; S264-L268 PolarHBondContact O-N 3.4Å
265	E	83.7	Confident	77.7	Confident	20 Å²	20	44.2 Å²	44.2	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-41	178.7	-70.8	-54	131.8	0	0	112.6	V261 V262 V263 A267 L268 S269 Y348 R640 Y663	V261-E265 WeakPolarHBondContact O-CG 3.36Å; V261-E265 PolarHBondContact O-N 2.9Å; V262-E265 PolarHBondContact O-N 3.16Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.88Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 2.88Å; E265-L268 PolarHBondContact O-N 2.94Å; E265-S269 PolarHBondContact O-N 3.21Å; E265-Y348 HydrophobicContact CG-CD2 3.96Å; E265-Y348 HydrophobicContact CG-CE2 4.2Å; E265-Y348 HydrophobicContact CG-CG 4.39Å; E265-R640 IonicContact OE2-CZ 3.57Å; E265-R640 IonicContact OE2-NH1 3.99Å; E265-R640 PolarHBondContact OE2-NH1 2.95Å; E265-R640 IonicContact OE2-NH2 2.74Å; E265-R640 PolarHBondContact OE2-NH2 2.65Å; E265-Y663 HydrophobicContact CB-CD1 3.78Å; E265-Y663 HydrophobicContact CB-CE1 4.19Å; E265-Y663 HydrophobicContact CB-CG 4.34Å
266	V	82.5	Confident	74.5	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-57	-48.5	172	172.4	0	0	0	0	109.6	F26 V262 V263 L268 S269 L270 I660 Y663	F26-V266 HydrophobicContact CZ-CG1 3.98Å; V262-V266 WeakPolarHBondContact O-CG2 3.31Å; V262-V266 PolarHBondContact O-N 3.31Å; V263-V266 PolarHBondContact O-N 3.01Å; V266-L268 PolarHBondContact O-N 2.69Å; V266-S269 PolarHBondContact O-N 3.38Å; V266-L270 HydrophobicContact CG1-CD1 3.94Å; V266-L270 VanDerWaalsContact O-CG 3.25Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.1Å; V266-I660 HydrophobicContact CG1-CG1 3.66Å; V266-Y663 HydrophobicContact CG2-CG 4.35Å
267	A	81.3	Confident	71.3	Confident	6 Å²	6	54.5 Å²	54.5	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-44.3	-180	0	0	0	0	0	112.3	S25 V263 S264 E265 L270 K271	S25-A267 VanDerWaalsContact CB-CB 3.5Å; V263-A267 WeakPolarHBondContact O-CB 3.38Å; V263-A267 PolarHBondContact O-N 3.01Å; S264-A267 PolarHBondContact O-N 3.19Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 2.88Å; A267-L270 PolarHBondContact O-N 3.4Å; A267-K271 WeakPolarHBondContact O-CG 3.49Å; A267-K271 PolarHBondContact O-N 3.34Å
268	L	77.9	Confident	68.1	Low	78 Å²	78	59.6 Å²	59.6	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-42.5	177.7	-178.6	61.5	0	0	0	111.9	S264 E265 V266 L270 K271 T272	S264-L268 WeakPolarHBondContact O-CB 3.34Å; S264-L268 PolarHBondContact O-N 3.4Å; E265-L268 PolarHBondContact O-N 2.94Å; V266-L268 PolarHBondContact O-N 2.69Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 3.17Å; L268-K271 PolarHBondContact O-N 3.22Å; L268-T272 PolarHBondContact O-N 3.32Å; L268-T272 PolarHBondContact O-OG1 2.87Å
269	S	74.3	Confident	65	Low	14 Å²	14	64.1 Å²	64.1	10%	0.098	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-30.7	176	177.4	0	0	0	0	113.2	E265 V266 T272 S659 Y663	E265-S269 PolarHBondContact O-N 3.21Å; V266-S269 PolarHBondContact O-N 3.38Å; S269-T272 PolarHBondContact O-OG1 2.7Å; S269-S659 PolarHBondContact OG-OG 2.83Å; S269-Y663 WeakPolarHBondContact OG-CE2 3.49Å
270	L	75.2	Confident	62.1	Low	59 Å²	59	67.1 Å²	67.1	31%	0.309	39%	0.393	S	S	.	.	H	α-helix	trans	-80.1	-27.3	178.5	-64.6	172.1	0	0	0	112.4	F26 V266 A267 L268 R656	F26-L270 HydrophobicContact CE1-CD1 3.44Å; F26-L270 VanDerWaalsContact CE1-CD1 3.44Å; F26-L270 HydrophobicContact CZ-CD1 3.88Å; V266-L270 HydrophobicContact CG1-CD1 3.94Å; V266-L270 VanDerWaalsContact O-CG 3.25Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 2.87Å; V266-L270 VanDerWaalsContact O-N 3.1Å; A267-L270 PolarHBondContact O-N 3.4Å; L268-L270 VanDerWaalsContact C-N 3.25Å; L268-L270 PolarHBondContact O-N 3.17Å; L270-R656 HydrophobicContact CD2-CB 3.85Å; L270-R656 HydrophobicContact CD2-CG 3.89Å
271	K	70.7	Confident	59.3	Low	108 Å²	108	71.7 Å²	71.7	47%	0.47	42%	0.416	S	S	.	.	H	α-helix	trans	-78.3	-16	178.1	-73.1	177.7	-174.7	-176.1	0	113.6	A267 L268 P273	A267-K271 WeakPolarHBondContact O-CG 3.49Å; A267-K271 PolarHBondContact O-N 3.34Å; L268-K271 PolarHBondContact O-N 3.22Å; K271-P273 WeakPolarHBondContact O-CD 3.22Å
272	T	63.2	Low	56.5	Low	80 Å²	80	75.7 Å²	75.7	49%	0.491	44%	0.444	S	S	.	.			trans	-96.1	94.2	-178.1	43.7	0	0	0	0	111.1	L268 S269 V274	L268-T272 PolarHBondContact O-N 3.32Å; L268-T272 PolarHBondContact O-OG1 2.87Å; S269-T272 PolarHBondContact O-OG1 2.7Å; T272-V274 PolarHBondContact O-N 3.33Å
273	P	47.2	Very low	53.9	Low	107 Å²	107	80.7 Å²	80.7	70%	0.695	47%	0.471	S	S	*	.			trans	-64.7	123.7	168.8	27.3	-32.8	0	0	0	108.4	K271 S275	K271-P273 WeakPolarHBondContact O-CD 3.22Å; P273-S275 VanDerWaalsContact C-N 3.33Å; P273-S275 PolarHBondContact O-N 2.93Å
274	V	45.5	Very low	51.5	Low	74 Å²	74	85.4 Å²	85.4	45%	0.448	49%	0.491	S	S	.	.			trans	-68	96.3	170.9	-177	0	0	0	0	107.3	T272 Y276	T272-V274 PolarHBondContact O-N 3.33Å; V274-Y276 VanDerWaalsContact C-N 3.34Å; V274-Y276 HydrophobicContact CB-CD2 4.27Å; V274-Y276 HydrophobicContact CB-CE2 4.13Å; V274-Y276 HydrophobicContact CG1-CD2 3.64Å; V274-Y276 HydrophobicContact CG1-CE2 3.34Å; V274-Y276 PolarHBondContact O-N 3.47Å
275	S	28.8	Very low	49.4	Very low	104 Å²	104	89.4 Å²	89.4	73%	0.727	51%	0.508	S	S	*	.			trans	-65.9	90.5	175.1	-50.5	0	0	0	0	110.1	P273 S277	P273-S275 VanDerWaalsContact C-N 3.33Å; P273-S275 PolarHBondContact O-N 2.93Å; S275-S277 PolarHBondContact O-N 2.66Å
276	Y	26.5	Very low	47.3	Very low	213 Å²	213	92 Å²	92	84%	0.835	53%	0.528	S	S	*	.			trans	-80.3	84.1	161.5	-77.8	-85.7	0	0	0	108.8	V274	V274-Y276 VanDerWaalsContact C-N 3.34Å; V274-Y276 HydrophobicContact CB-CD2 4.27Å; V274-Y276 HydrophobicContact CB-CE2 4.13Å; V274-Y276 HydrophobicContact CG1-CD2 3.64Å; V274-Y276 HydrophobicContact CG1-CE2 3.34Å; V274-Y276 PolarHBondContact O-N 3.47Å
277	S	25.9	Very low	45.1	Very low	91 Å²	91	96.1 Å²	96.1	64%	0.636	55%	0.55	S	S	*	*			trans	-164.3	107	159.5	55.7	0	0	0	0	109.6	S275	S275-S277 PolarHBondContact O-N 2.66Å
278	S	26.7	Very low	43.1	Very low	109 Å²	109	100.8 Å²	100.8	76%	0.762	57%	0.573	S	S	*	*			trans	51.6	109.6	134	-45.1	0	0	0	0	118.9
279	T	25.7	Very low	41.3	Very low	133 Å²	133	103.6 Å²	103.6	82%	0.816	59%	0.587	S	S	*	*	S	Bend	trans	68.1	72.3	133.6	-29.2	0	0	0	0	118.6
280	A	28.3	Very low	39.5	Very low	82 Å²	82	108.5 Å²	108.5	68%	0.678	61%	0.611	S	S	*	*			trans	-162.4	-14.5	158.6	0	0	0	0	0	119.5	S282	A280-S282 PolarHBondContact O-N 3.05Å
281	H	33	Very low	37.7	Very low	148 Å²	148	112.8 Å²	112.8	69%	0.685	63%	0.63	S	S	*	*			trans	-96.6	23.5	-167.3	-88.9	-69	0	0	0	117.8	H284	H281-H284 AromaticContact CE1-CD2 3.77Å; H281-H284 AromaticContact ND1-CD2 3.41Å; H281-H284 PolarHBondContact ND1-CD2 3.32Å
282	S	31.6	Very low	36.1	Very low	95 Å²	95	116.8 Å²	116.8	66%	0.664	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	1.5	-179.6	53.8	0	0	0	0	116.5	A280	A280-S282 PolarHBondContact O-N 3.05Å
283	N	33.1	Very low	34.8	Very low	110 Å²	110	120.6 Å²	120.6	59%	0.588	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	13.9	-175.3	-64.5	-1.3	0	0	0	114.5	I285	N283-I285 PolarHBondContact O-N 3.17Å
284	H	36.4	Very low	34.1	Very low	113 Å²	113	122.3 Å²	122.3	52%	0.523	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.5	5.9	-157.5	-122.5	-70.2	0	0	0	117.5	H281 I288	H281-H284 AromaticContact CE1-CD2 3.77Å; H281-H284 AromaticContact ND1-CD2 3.41Å; H281-H284 PolarHBondContact ND1-CD2 3.32Å; H284-I288 WeakPolarHBondContact O-CD1 3.47Å
285	I	39.9	Very low	33.6	Very low	126 Å²	126	127 Å²	127	65%	0.646	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	-16.6	179.8	-64	-179.9	0	0	0	113	N283	N283-I285 PolarHBondContact O-N 3.17Å
286	S	39.6	Very low	33.6	Very low	75 Å²	75	127 Å²	127	52%	0.524	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	-20.7	175.2	52.5	0	0	0	0	114.2
287	N	36.4	Very low	33.9	Very low	94 Å²	94	125.3 Å²	125.3	50%	0.503	68%	0.677	S	S	.	*	S	Bend	trans	-97.3	-16.9	-172.3	-66.7	6	0	0	0	114.1	I289 I290 E291	N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 2.72Å; N287-I290 PolarHBondContact O-N 3.36Å; N287-E291 PolarHBondContact O-N 3.42Å
288	I	40.6	Very low	34.3	Very low	103 Å²	103	129.4 Å²	129.4	53%	0.528	69%	0.689	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-18.1	-176.4	-63.8	176.4	0	0	0	112.5	H284	H284-I288 WeakPolarHBondContact O-CD1 3.47Å
289	I	38.9	Very low	34.6	Very low	138 Å²	138	129.2 Å²	129.2	71%	0.708	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-17.7	175.6	-62.1	176.4	0	0	0	111.7	N287	N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 2.72Å
290	I	37.3	Very low	34.8	Very low	116 Å²	116	130.7 Å²	130.7	60%	0.595	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-27	-178.1	-61.9	176.9	0	0	0	112.1	N287	N287-I290 PolarHBondContact O-N 3.36Å
291	E	37	Very low	35	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-80.8	-18	-177.2	-125.4	171.1	-174.4	0	0	114.7	N287 H293	N287-E291 PolarHBondContact O-N 3.42Å; E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 2.87Å
292	K	37.1	Very low	35.1	Very low	191 Å²	191	132.2 Å²	132.2	83%	0.83	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-81.2	-4.4	174.9	-87.1	-175	174.4	179.2	0	114.4
293	H	35.7	Very low	35	Very low	160 Å²	160	137.9 Å²	137.9	74%	0.741	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-106.1	0.2	179.1	-111.5	-74.6	0	0	0	114.8	E291	E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 2.87Å
294	N	32.8	Very low	35.1	Very low	144 Å²	144	140 Å²	140	77%	0.77	71%	0.712	S	S	*	*	S	Bend	trans	-117	17.1	-178.7	-91.1	2.2	0	0	0	114.5
295	M	34.3	Very low	34.9	Very low	172 Å²	172	141.3 Å²	141.3	85%	0.847	72%	0.718	S	S	*	*			trans	-109.4	50.8	176.4	-137.8	-173.6	-59	0	0	111.1
296	T	29.4	Very low	34.4	Very low	105 Å²	105	140.6 Å²	140.6	64%	0.644	72%	0.716	S	S	*	*	S	Bend	trans	-131.2	128.7	164	47.8	0	0	0	0	107.2
297	H	31.9	Very low	34.3	Very low	177 Å²	177	145.2 Å²	145.2	82%	0.819	73%	0.729	S	S	*	*			trans	72.2	99.5	-179.9	-49	-86.9	0	0	0	115.8
298	I	34.1	Very low	34.3	Very low	176 Å²	176	146.7 Å²	146.7	90%	0.903	74%	0.741	S	S	*	*				-159	123.1	123.6	-88.3	139.8	0	0	0	108
299	S	34	Very low	34.1	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	75%	0.749	S	S	*	*			trans	-75.7	153.4	-174.4	43.7	0	0	0	0	113.9
300	L	30.7	Very low	33.9	Very low	163 Å²	163	147.6 Å²	147.6	85%	0.853	75%	0.754	S	S	*	*			trans	-33.3	133.6	161.9	-68.2	115.8	0	0	0	115.1
301	N	31.9	Very low	33.8	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	76%	0.759	S	S	*	*				-167.4	130	129.6	-118.4	4.6	0	0	0	112.6
302	P	34	Very low	33.7	Very low	100 Å²	100	148.1 Å²	148.1	65%	0.649	77%	0.765	S	S	*	*			trans	-97.7	147.1	167.3	35.5	-26.1	0	0	0	111.1
303	Y	29.4	Very low	33.4	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	77%	0.767	S	S	*	*			trans	151.3	148.4	144	-100.1	-89.9	0	0	0	114.3
304	H	36.4	Very low	33.5	Very low	156 Å²	156	148.4 Å²	148.4	72%	0.722	77%	0.771	S	S	*	*			trans	75.6	143.2	166.8	-81.4	-80.3	0	0	0	118.6
305	E	31.2	Very low	33.4	Very low	139 Å²	139	151.8 Å²	151.8	65%	0.65	78%	0.779	S	S	*	*			cis	177.2	145.1	-28.2	-123.3	-169.4	157.2	0	0	105.9
306	N	30.5	Very low	33.2	Very low	112 Å²	112	147 Å²	147	60%	0.599	77%	0.774	S	S	*	*			trans	76.8	142.1	143.3	-61.6	-22.5	0	0	0	124.5
307	H	37.9	Very low	33.2	Very low	171 Å²	171	149.9 Å²	149.9	79%	0.792	79%	0.785	S	S	*	*			trans	92.8	125.9	165.5	-58.9	-67.6	0	0	0	117.5
308	T	36.4	Very low	33.3	Very low	125 Å²	125	147.3 Å²	147.3	77%	0.767	78%	0.782	S	S	*	*			cis	-168.8	158.3	-1.6	11.4	0	0	0	0	108
309	P	34.8	Very low	33.1	Very low	105 Å²	105	146.7 Å²	146.7	68%	0.682	78%	0.78	S	S	*	*			trans	-100.9	175	-170.8	39	-32	0	0	0	114.4
310	N	35.5	Very low	33.1	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	78%	0.775	S	S	*	*			trans	110.3	129	172	-58.2	-17.1	0	0	0	112.1
311	S	34.3	Very low	33.2	Very low	98 Å²	98	144.9 Å²	144.9	69%	0.685	77%	0.769	S	S	*	*			cis	-172	168.7	21.5	43.1	0	0	0	0	109.9
312	H	36	Very low	33.4	Very low	180 Å²	180	141.8 Å²	141.8	83%	0.833	76%	0.756	S	S	*	*			trans	103.3	98.6	162.5	-71	-75.7	0	0	0	120.2
313	Y	31.1	Very low	33.6	Very low	221 Å²	221	141.6 Å²	141.6	87%	0.867	75%	0.753	S	S	*	*			trans	-27.6	135.2	151	-91.8	-107	0	0	0	115.7
314	T	36.3	Very low	34.2	Very low	136 Å²	136	136.2 Å²	136.2	83%	0.834	74%	0.739	S	S	*	*				-179.4	125.7	116.8	28.8	0	0	0	0	111.6
315	K	30.5	Very low	34.6	Very low	214 Å²	214	135.6 Å²	135.6	93%	0.93	74%	0.736	S	S	*	*			trans	19.7	121.8	149.9	-96.7	171.6	169.7	174.5	0	118.8
316	G	31.2	Very low	35.4	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	74%	0.735	S	S	*	*			trans	164.6	96.5	156.7	0	0	0	0	0	113.7	T318	G316-T318 PolarHBondContact O-N 3.34Å
317	D	29.2	Very low	36.6	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	73%	0.73	S	S	*	*			trans	-51.2	117.2	158.7	-64	-53.8	0	0	0	109.4
318	T	33.6	Very low	37.6	Very low	123 Å²	123	131.3 Å²	131.3	76%	0.755	72%	0.719	S	S	*	*			trans	158.6	80.1	155.3	46.9	0	0	0	0	110	G316	G316-T318 PolarHBondContact O-N 3.34Å
319	L	31.1	Very low	38.9	Very low	163 Å²	163	127.4 Å²	127.4	85%	0.853	70%	0.696	S	S	*	*			trans	-148.3	31.5	168.8	-133.3	104.4	0	0	0	114.5
320	A	32.8	Very low	40.5	Very low	78 Å²	78	125 Å²	125	65%	0.645	68%	0.682	S	S	*	*	S	Bend	trans	-116.3	1.1	172.2	0	0	0	0	0	113.9
321	E	33.2	Very low	42	Very low	154 Å²	154	120 Å²	120	72%	0.72	66%	0.655	S	S	*	*	S	Bend	trans	-102.2	-12.3	-176.4	-100.9	177.8	163.9	0	0	114.9
322	T	37.2	Very low	43.7	Very low	98 Å²	98	118.8 Å²	118.8	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-84.6	-22.3	-176.6	28.4	0	0	0	0	114.3
323	T	37.1	Very low	45.3	Very low	96 Å²	96	118 Å²	118	59%	0.589	64%	0.636	S	S	*	*	H	α-helix	trans	-79.8	-32.6	176.6	41.5	0	0	0	0	113.1
324	N	42.3	Very low	47.5	Very low	100 Å²	100	110.9 Å²	110.9	54%	0.535	61%	0.613	S	S	.	*	H	α-helix	trans	-73.7	-30.8	179.6	-81.2	-25.2	0	0	0	113.6	N328	N324-N328 PolarHBondContact O-N 2.89Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.35Å
325	H	43.7	Very low	49.4	Very low	143 Å²	143	105.8 Å²	105.8	66%	0.662	58%	0.582	S	S	*	*	H	α-helix	trans	-68.9	-35.3	177.7	-95.7	-64.4	0	0	0	113	S329	H325-S329 WeakPolarHBondContact O-CB 3.31Å; H325-S329 PolarHBondContact O-N 3.15Å; H325-S329 VanDerWaalsContact O-N 3.14Å
326	H	48.2	Very low	51.6	Low	136 Å²	136	101.3 Å²	101.3	63%	0.63	57%	0.568	S	S	*	*	H	α-helix	trans	-66.3	-44.6	176.3	-105.5	-72.3	0	0	0	111.8	S329 S330	H326-S329 PolarHBondContact O-N 2.98Å; H326-S329 PolarHBondContact O-OG 2.93Å; H326-S330 PolarHBondContact O-N 3.02Å; H326-S330 VanDerWaalsContact O-N 3.09Å; H326-S330 PolarHBondContact O-OG 2.82Å
327	N	55.8	Low	53.5	Low	93 Å²	93	100.1 Å²	100.1	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-41.1	178.5	-74.4	-8.3	0	0	0	112.8	S329 S330 I331	N327-S329 VanDerWaalsContact C-N 3.28Å; N327-S329 PolarHBondContact O-N 3.33Å; N327-S330 WeakPolarHBondContact CA-OG 3.26Å; N327-S330 PolarHBondContact O-N 2.93Å; N327-S330 PolarHBondContact O-OG 3.47Å; N327-I331 WeakPolarHBondContact O-CB 3.2Å; N327-I331 WeakPolarHBondContact O-CD1 3.5Å; N327-I331 VanDerWaalsContact O-CG1 3.24Å; N327-I331 WeakPolarHBondContact O-CG1 3.47Å; N327-I331 PolarHBondContact O-N 3.47Å
328	N	59.3	Low	56.1	Low	103 Å²	103	93.2 Å²	93.2	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-65	-34.1	175.8	-73.8	-19.5	0	0	0	112.3	N324 S332	N324-N328 PolarHBondContact O-N 2.89Å; N324-N328 VanDerWaalsContact O-N 3.09Å; N324-N328 PolarHBondContact O-ND2 3.35Å; N328-S332 VanDerWaalsContact O-CB 3.27Å; N328-S332 WeakPolarHBondContact O-CB 3.44Å; N328-S332 PolarHBondContact O-N 2.97Å
329	S	64.7	Low	58.6	Low	42 Å²	42	90.8 Å²	90.8	29%	0.294	50%	0.499	S	S	.	.	H	α-helix	trans	-71.2	-34.3	176.8	83.4	0	0	0	0	113.3	H325 H326 N327 R333	H325-S329 WeakPolarHBondContact O-CB 3.31Å; H325-S329 PolarHBondContact O-N 3.15Å; H325-S329 VanDerWaalsContact O-N 3.14Å; H326-S329 PolarHBondContact O-N 2.98Å; H326-S329 PolarHBondContact O-OG 2.93Å; N327-S329 VanDerWaalsContact C-N 3.28Å; N327-S329 PolarHBondContact O-N 3.33Å; S329-R333 WeakPolarHBondContact O-CB 3.08Å; S329-R333 VanDerWaalsContact O-CG 3.28Å; S329-R333 WeakPolarHBondContact O-CG 3.28Å; S329-R333 PolarHBondContact O-N 2.81Å; S329-R333 PolarHBondContact O-NE 3.24Å; S329-R333 PolarHBondContact OG-NH2 3.44Å
330	S	67.1	Low	61.1	Low	55 Å²	55	83 Å²	83	39%	0.385	46%	0.459	S	S	.	.	H	α-helix	trans	-75.1	-44.2	178	55.3	0	0	0	0	110.8	H326 N327 S332 R333 L334	H326-S330 PolarHBondContact O-N 3.02Å; H326-S330 VanDerWaalsContact O-N 3.09Å; H326-S330 PolarHBondContact O-OG 2.82Å; N327-S330 WeakPolarHBondContact CA-OG 3.26Å; N327-S330 PolarHBondContact O-N 2.93Å; N327-S330 PolarHBondContact O-OG 3.47Å; S330-S332 PolarHBondContact O-N 2.93Å; S330-R333 PolarHBondContact O-N 3.33Å; S330-L334 WeakPolarHBondContact O-CB 3.31Å; S330-L334 PolarHBondContact O-N 3.41Å
331	I	68.6	Low	63.4	Low	51 Å²	51	81.2 Å²	81.2	26%	0.262	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-47.8	175	-66.7	166.3	0	0	0	110.6	V204 N327 R333 L334 C335	V204-I331 HydrophobicContact CB-CG2 4.45Å; V204-I331 HydrophobicContact CG1-CD1 4.43Å; V204-I331 HydrophobicContact CG1-CG2 3.51Å; N327-I331 WeakPolarHBondContact O-CB 3.2Å; N327-I331 WeakPolarHBondContact O-CD1 3.5Å; N327-I331 VanDerWaalsContact O-CG1 3.24Å; N327-I331 WeakPolarHBondContact O-CG1 3.47Å; N327-I331 PolarHBondContact O-N 3.47Å; I331-R333 VanDerWaalsContact C-N 3.25Å; I331-R333 PolarHBondContact O-N 3.45Å; I331-L334 WeakPolarHBondContact O-CB 3.42Å; I331-L334 PolarHBondContact O-N 3.27Å; I331-C335 PolarHBondContact O-N 3.39Å; I331-C335 PolarHBondContact O-SG 3.05Å
332	S	68.5	Low	65.7	Low	72 Å²	72	77.9 Å²	77.9	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-34.2	177.8	-176.9	0	0	0	0	112.5	N328 S330 L336	N328-S332 VanDerWaalsContact O-CB 3.27Å; N328-S332 WeakPolarHBondContact O-CB 3.44Å; N328-S332 PolarHBondContact O-N 2.97Å; S330-S332 PolarHBondContact O-N 2.93Å; S332-L336 WeakPolarHBondContact O-CB 3.15Å; S332-L336 PolarHBondContact O-N 2.89Å
333	R	70.8	Confident	68	Low	162 Å²	162	74.6 Å²	74.6	61%	0.611	41%	0.409	S	S	*	.	H	α-helix	trans	-71.3	-40.2	176.3	-81.9	-179.1	-79.8	-179	-5.5	111.9	S329 S330 I331 L336 G337	S329-R333 WeakPolarHBondContact O-CB 3.08Å; S329-R333 VanDerWaalsContact O-CG 3.28Å; S329-R333 WeakPolarHBondContact O-CG 3.28Å; S329-R333 PolarHBondContact O-N 2.81Å; S329-R333 PolarHBondContact O-NE 3.24Å; S329-R333 PolarHBondContact OG-NH2 3.44Å; S330-R333 PolarHBondContact O-N 3.33Å; I331-R333 VanDerWaalsContact C-N 3.25Å; I331-R333 PolarHBondContact O-N 3.45Å; R333-L336 PolarHBondContact O-N 3.2Å; R333-G337 PolarHBondContact O-N 3.39Å
334	L	75.8	Confident	70.1	Confident	73 Å²	73	71.8 Å²	71.8	38%	0.382	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-48.5	175.8	-174.4	67.9	0	0	0	111	V200 S330 I331 L336 G337	V200-L334 HydrophobicContact CG1-CD1 4.32Å; V200-L334 HydrophobicContact CG1-CD2 3.68Å; V200-L334 HydrophobicContact CG1-CG 3.74Å; V200-L334 HydrophobicContact CG2-CG 4.48Å; S330-L334 WeakPolarHBondContact O-CB 3.31Å; S330-L334 PolarHBondContact O-N 3.41Å; I331-L334 WeakPolarHBondContact O-CB 3.42Å; I331-L334 PolarHBondContact O-N 3.27Å; L334-L336 VanDerWaalsContact C-N 3.27Å; L334-L336 PolarHBondContact O-N 3Å; L334-G337 PolarHBondContact O-N 2.98Å
335	C	76.6	Confident	71.8	Confident	29 Å²	29	69.2 Å²	69.2	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-20.9	-179.4	-54.5	0	0	0	0	114.2	C205 I331 Y338	C205-C335 WeakPolarHBondContact CA-SG 3.47Å; C205-C335 HydrophobicContact CB-CB 3.72Å; C205-C335 WeakPolarHBondContact CB-SG 3.45Å; C205-C335 WeakPolarHBondContact SG-CA 3.49Å; C205-C335 WeakPolarHBondContact SG-CB 3.19Å; C205-C335 CovalentContact SG-SG 2.03Å; C205-C335 PolarHBondContact SG-SG 3.04Å; I331-C335 PolarHBondContact O-N 3.39Å; I331-C335 PolarHBondContact O-SG 3.05Å; C335-Y338 VanDerWaalsContact O-CD1 3.27Å; C335-Y338 WeakPolarHBondContact O-CD1 3.49Å; C335-Y338 VanDerWaalsContact O-CE1 3.29Å; C335-Y338 WeakPolarHBondContact O-CE1 3.49Å
336	L	76.2	Confident	73.6	Confident	119 Å²	119	66.9 Å²	66.9	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-89.8	-12	177.3	-130.7	77	0	0	0	113.4	S332 R333 L334 V341	S332-L336 WeakPolarHBondContact O-CB 3.15Å; S332-L336 PolarHBondContact O-N 2.89Å; R333-L336 PolarHBondContact O-N 3.2Å; L334-L336 VanDerWaalsContact C-N 3.27Å; L334-L336 PolarHBondContact O-N 3Å; L336-V341 HydrophobicContact CG-CG1 4.36Å; L336-V341 WeakPolarHBondContact O-CG1 3.41Å
337	G	72.9	Confident	75.4	Confident	48 Å²	48	61.7 Å²	61.7	50%	0.495	34%	0.344	S	S	.	.	S	Bend	trans	-96	-9.4	-167.6	0	0	0	0	0	115.6	R333 L334	R333-G337 PolarHBondContact O-N 3.39Å; L334-G337 PolarHBondContact O-N 2.98Å
338	Y	83.8	Confident	76.7	Confident	20 Å²	20	57.7 Å²	57.7	8%	0.078	32%	0.323	C	S	.	.	S	Bend	trans	-75.8	159.6	-176	75.8	-97.9	0	0	0	112.5	N193 S196 E199 H206 C335 G340 V341 T342	N193-Y338 PolarHBondContact OD1-OH 2.73Å; S196-Y338 VanDerWaalsContact CB-CD2 3.46Å; E199-Y338 WeakPolarHBondContact OE2-CA 3.33Å; E199-Y338 WeakPolarHBondContact OE2-CB 3.45Å; H206-Y338 AromaticContact CE1-CE1 3.91Å; H206-Y338 AromaticContact CE1-CZ 3.98Å; C335-Y338 VanDerWaalsContact O-CD1 3.27Å; C335-Y338 WeakPolarHBondContact O-CD1 3.49Å; C335-Y338 VanDerWaalsContact O-CE1 3.29Å; C335-Y338 WeakPolarHBondContact O-CE1 3.49Å; Y338-G340 VanDerWaalsContact C-N 3.34Å; Y338-G340 VanDerWaalsContact CD2-N 3.34Å; Y338-G340 PolarHBondContact O-N 3.25Å; Y338-V341 HydrophobicContact CD1-CG2 3.79Å; Y338-V341 HydrophobicContact CD2-CG2 4.36Å; Y338-V341 HydrophobicContact CE1-CG2 3.32Å; Y338-V341 HydrophobicContact CE2-CG2 3.92Å; Y338-V341 HydrophobicContact CG-CG2 4.29Å; Y338-V341 PolarHBondContact O-N 3.36Å; Y338-T342 PolarHBondContact O-N 3.18Å; Y338-T342 PolarHBondContact O-OG1 3.01Å
339	L	85.2	Confident	77.9	Confident	72 Å²	72	53 Å²	53	38%	0.377	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-43.9	-169.8	-175.3	59.1	0	0	0	113.1	F192 E199 V341 T342 V343	F192-L339 HydrophobicContact CD1-CD2 3.52Å; F192-L339 HydrophobicContact CD1-CG 3.97Å; F192-L339 HydrophobicContact CE1-CD2 3.74Å; F192-L339 HydrophobicContact CE1-CG 4.43Å; E199-L339 PolarHBondContact OE2-N 3.05Å; L339-V341 PolarHBondContact O-N 3.43Å; L339-T342 WeakPolarHBondContact O-CA 3.35Å; L339-T342 WeakPolarHBondContact O-CB 3.42Å; L339-T342 PolarHBondContact O-N 3.46Å; L339-V343 HydrophobicContact CD1-CG1 4.03Å; L339-V343 HydrophobicContact CG-CG1 4.44Å; L339-V343 WeakPolarHBondContact O-CG2 3.43Å; L339-V343 PolarHBondContact O-N 3.28Å
340	G	83.4	Confident	79.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-51.1	-53	175.8	0	0	0	0	0	113.2	F192 Y338 T342 V343 D344	F192-G340 WeakPolarHBondContact O-CA 3.34Å; F192-G340 PolarHBondContact O-N 3.35Å; Y338-G340 VanDerWaalsContact C-N 3.34Å; Y338-G340 VanDerWaalsContact CD2-N 3.34Å; Y338-G340 PolarHBondContact O-N 3.25Å; G340-T342 PolarHBondContact O-N 3.1Å; G340-V343 WeakPolarHBondContact O-CG2 3.2Å; G340-V343 PolarHBondContact O-N 3.35Å; G340-D344 WeakPolarHBondContact O-CB 3.19Å; G340-D344 PolarHBondContact O-N 2.87Å
341	V	81.9	Confident	80.2	Confident	40 Å²	40	50 Å²	50	24%	0.242	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-35.1	177.7	-177.3	0	0	0	0	112	L336 Y338 L339 D344	L336-V341 HydrophobicContact CG-CG1 4.36Å; L336-V341 WeakPolarHBondContact O-CG1 3.41Å; Y338-V341 HydrophobicContact CD1-CG2 3.79Å; Y338-V341 HydrophobicContact CD2-CG2 4.36Å; Y338-V341 HydrophobicContact CE1-CG2 3.32Å; Y338-V341 HydrophobicContact CE2-CG2 3.92Å; Y338-V341 HydrophobicContact CG-CG2 4.29Å; Y338-V341 PolarHBondContact O-N 3.36Å; L339-V341 PolarHBondContact O-N 3.43Å; V341-D344 WeakPolarHBondContact CA-OD2 3.37Å
342	T	80.9	Confident	81.2	Confident	83 Å²	83	47.6 Å²	47.6	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-69.3	-37.8	180	-58.8	0	0	0	0	112.1	Y338 L339 G340	Y338-T342 PolarHBondContact O-N 3.18Å; Y338-T342 PolarHBondContact O-OG1 3.01Å; L339-T342 WeakPolarHBondContact O-CA 3.35Å; L339-T342 WeakPolarHBondContact O-CB 3.42Å; L339-T342 PolarHBondContact O-N 3.46Å; G340-T342 PolarHBondContact O-N 3.1Å
343	V	84.8	Confident	82.2	Confident	29 Å²	29	44.2 Å²	44.2	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-89.9	-16.4	-180	-58.2	0	0	0	0	113.5	F192 L339 G340 P345 F346 L347	F192-V343 HydrophobicContact CB-CG2 3.81Å; F192-V343 HydrophobicContact CD2-CG2 3.69Å; F192-V343 HydrophobicContact CE2-CG2 4.44Å; F192-V343 HydrophobicContact CG-CG2 3.93Å; L339-V343 HydrophobicContact CD1-CG1 4.03Å; L339-V343 HydrophobicContact CG-CG1 4.44Å; L339-V343 WeakPolarHBondContact O-CG2 3.43Å; L339-V343 PolarHBondContact O-N 3.28Å; G340-V343 WeakPolarHBondContact O-CG2 3.2Å; G340-V343 PolarHBondContact O-N 3.35Å; V343-P345 VanDerWaalsContact C-CD 3.42Å; V343-P345 VanDerWaalsContact C-N 3.34Å; V343-F346 PolarHBondContact O-N 3.27Å; V343-L347 HydrophobicContact CB-CD1 4.16Å; V343-L347 HydrophobicContact CG2-CD1 3.77Å; V343-L347 PolarHBondContact O-N 3.39Å
344	D	80.9	Confident	83.3	Confident	37 Å²	37	36.6 Å²	36.6	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-46.2	-47.8	-178.9	-82.2	-16.7	0	0	0	113.2	H189 G340 V341 F346 L347 Y348	H189-D344 IonicContact CD2-OD1 3.24Å; H189-D344 PolarHBondContact CD2-OD1 2.98Å; H189-D344 IonicContact CE1-OD1 2.6Å; H189-D344 IonicContact NE2-OD1 3.36Å; H189-D344 PolarHBondContact NE2-OD1 3.49Å; G340-D344 WeakPolarHBondContact O-CB 3.19Å; G340-D344 PolarHBondContact O-N 2.87Å; V341-D344 WeakPolarHBondContact CA-OD2 3.37Å; D344-F346 PolarHBondContact O-N 2.98Å; D344-L347 PolarHBondContact O-N 3.4Å; D344-Y348 WeakPolarHBondContact O-CB 3.45Å; D344-Y348 PolarHBondContact O-N 3.31Å
345	P	78.6	Confident	84.2	Confident	47 Å²	47	33.2 Å²	33.2	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-21.4	-178.8	-24.4	35.8	0	0	0	114.6	V343 Y348	V343-P345 VanDerWaalsContact C-CD 3.42Å; V343-P345 VanDerWaalsContact C-N 3.34Å; P345-Y348 WeakPolarHBondContact O-CD1 3.39Å; P345-Y348 WeakPolarHBondContact O-CE1 3.43Å
346	F	81.4	Confident	85	Confident	93 Å²	93	33.4 Å²	33.4	41%	0.408	19%	0.191	S	C	.	.	H	α-helix	trans	-95.7	-29.1	-179.1	-57.1	-79.1	0	0	0	112.8	V343 D344 P349 L515 F637	V343-F346 PolarHBondContact O-N 3.27Å; D344-F346 PolarHBondContact O-N 2.98Å; F346-P349 WeakPolarHBondContact O-CD 3.49Å; F346-L515 HydrophobicContact CE1-CD2 4.06Å; F346-F637 HydrophobicContact CD1-CD1 4.24Å
347	L	86.5	Confident	85.8	Confident	27 Å²	27	27.8 Å²	27.8	14%	0.141	16%	0.161	C	C	.	.	H	α-helix	trans	-99	-25.4	-174.8	-64.6	178.5	0	0	0	113.7	I188 H189 F192 V343 D344 P349 L350	I188-L347 HydrophobicContact CG2-CD1 4.23Å; H189-L347 HydrophobicContact CB-CB 3.96Å; H189-L347 HydrophobicContact CB-CD1 4.05Å; F192-L347 HydrophobicContact CD2-CD1 3.66Å; F192-L347 HydrophobicContact CE2-CD1 4.04Å; V343-L347 HydrophobicContact CB-CD1 4.16Å; V343-L347 HydrophobicContact CG2-CD1 3.77Å; V343-L347 PolarHBondContact O-N 3.39Å; D344-L347 PolarHBondContact O-N 3.4Å; L347-P349 VanDerWaalsContact C-N 3.31Å; L347-L350 HydrophobicContact CD2-CD1 3.78Å; L347-L350 WeakPolarHBondContact O-CB 3.44Å; L347-L350 PolarHBondContact O-N 3.06Å; L347-L350 VanDerWaalsContact O-N 3.08Å
348	Y	82.6	Confident	86.9	Confident	10 Å²	10	25.5 Å²	25.5	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-54.8	-36.5	177.8	94.4	-90.2	0	0	0	114.2	V261 E265 D344 P345 L350 A351 I352	V261-Y348 HydrophobicContact CG1-CD2 4.22Å; E265-Y348 HydrophobicContact CG-CD2 3.96Å; E265-Y348 HydrophobicContact CG-CE2 4.2Å; E265-Y348 HydrophobicContact CG-CG 4.39Å; D344-Y348 WeakPolarHBondContact O-CB 3.45Å; D344-Y348 PolarHBondContact O-N 3.31Å; P345-Y348 WeakPolarHBondContact O-CD1 3.39Å; P345-Y348 WeakPolarHBondContact O-CE1 3.43Å; Y348-L350 PolarHBondContact O-N 2.89Å; Y348-A351 WeakPolarHBondContact O-CB 3.26Å; Y348-A351 PolarHBondContact O-N 3.46Å; Y348-A351 VanDerWaalsContact O-N 3.09Å; Y348-I352 HydrophobicContact CD2-CD1 3.72Å; Y348-I352 HydrophobicContact CD2-CG1 4.48Å; Y348-I352 HydrophobicContact CE2-CD1 3.64Å; Y348-I352 PolarHBondContact O-N 3.44Å
349	P	84.7	Confident	87.4	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-35.4	179.8	-20.3	34.6	0	0	0	111.1	F346 L347 A351 I352 E353 T636 I670	F346-P349 WeakPolarHBondContact O-CD 3.49Å; L347-P349 VanDerWaalsContact C-N 3.31Å; P349-A351 PolarHBondContact O-N 2.87Å; P349-I352 WeakPolarHBondContact O-CB 3.47Å; P349-I352 PolarHBondContact O-N 3.35Å; P349-I352 VanDerWaalsContact O-N 3.12Å; P349-E353 WeakPolarHBondContact O-CG 3.49Å; P349-E353 PolarHBondContact O-N 2.69Å; P349-T636 HydrophobicContact CB-CG2 4.12Å; P349-T636 HydrophobicContact CG-CG2 4.36Å; P349-I670 HydrophobicContact CB-CD1 4.32Å
350	L	89.2	Confident	87.7	Confident	33 Å²	33	22.2 Å²	22.2	17%	0.173	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-35.3	177.9	-50.5	178.5	0	0	0	111.4	F182 L347 Y348 Y354	F182-L350 HydrophobicContact CD1-CB 4.15Å; F182-L350 HydrophobicContact CD1-CD2 3.66Å; F182-L350 HydrophobicContact CE1-CD2 3.77Å; L347-L350 HydrophobicContact CD2-CD1 3.78Å; L347-L350 WeakPolarHBondContact O-CB 3.44Å; L347-L350 PolarHBondContact O-N 3.06Å; L347-L350 VanDerWaalsContact O-N 3.08Å; Y348-L350 PolarHBondContact O-N 2.89Å; L350-Y354 VanDerWaalsContact O-CB 3.29Å; L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 2.99Å
351	A	90.3	Very high	88.2	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-68.4	-36.2	175.9	0	0	0	0	0	113.2	V186 Y348 P349 S355	V186-A351 VanDerWaalsContact CG2-CA 3.42Å; V186-A351 HydrophobicContact CG2-CB 3.79Å; Y348-A351 WeakPolarHBondContact O-CB 3.26Å; Y348-A351 PolarHBondContact O-N 3.46Å; Y348-A351 VanDerWaalsContact O-N 3.09Å; P349-A351 PolarHBondContact O-N 2.87Å; A351-S355 WeakPolarHBondContact O-CB 3.45Å; A351-S355 PolarHBondContact O-N 3.44Å; A351-S355 PolarHBondContact O-OG 3.37Å
352	I	89.6	Confident	88.8	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-52.1	173.8	-65.7	174.1	0	0	0	109.9	V261 V262 Y348 P349 Y354 S355 L356 P667	V261-I352 HydrophobicContact CB-CG1 4.27Å; V261-I352 HydrophobicContact CG1-CD1 3.99Å; V261-I352 HydrophobicContact CG1-CG1 3.74Å; V262-I352 HydrophobicContact CG2-CD1 4.33Å; Y348-I352 HydrophobicContact CD2-CD1 3.72Å; Y348-I352 HydrophobicContact CD2-CG1 4.48Å; Y348-I352 HydrophobicContact CE2-CD1 3.64Å; Y348-I352 PolarHBondContact O-N 3.44Å; P349-I352 WeakPolarHBondContact O-CB 3.47Å; P349-I352 PolarHBondContact O-N 3.35Å; P349-I352 VanDerWaalsContact O-N 3.12Å; I352-Y354 VanDerWaalsContact C-N 3.32Å; I352-Y354 PolarHBondContact O-N 2.95Å; I352-S355 PolarHBondContact O-N 3.38Å; I352-S355 VanDerWaalsContact O-N 3.12Å; I352-L356 HydrophobicContact CG2-CD1 3.97Å; I352-L356 HydrophobicContact CG2-CG 4.44Å; I352-L356 PolarHBondContact O-N 3.01Å; I352-P667 HydrophobicContact CB-CB 4.24Å; I352-P667 HydrophobicContact CD1-CB 3.68Å; I352-P667 HydrophobicContact CD1-CG 3.53Å; I352-P667 HydrophobicContact CG1-CB 4.49Å; I352-P667 HydrophobicContact CG2-CB 3.33Å; I352-P667 HydrophobicContact CG2-CG 4.34Å
353	E	90.2	Very high	89.3	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.009	11%	0.113	C	C	.	.	H	α-helix	trans	-57.2	-45.7	-179.7	-66.9	-57.8	144.2	0	0	111.5	F182 P349 S355 L356 I357 I670 F671	F182-E353 HydrophobicContact CD1-CB 3.8Å; F182-E353 HydrophobicContact CD1-CG 4.42Å; F182-E353 HydrophobicContact CD2-CB 3.86Å; F182-E353 HydrophobicContact CE1-CB 3.84Å; F182-E353 HydrophobicContact CE1-CG 4.04Å; F182-E353 HydrophobicContact CE2-CB 3.89Å; F182-E353 HydrophobicContact CG-CB 3.82Å; F182-E353 HydrophobicContact CZ-CB 3.88Å; F182-E353 HydrophobicContact CZ-CG 4.08Å; P349-E353 WeakPolarHBondContact O-CG 3.49Å; P349-E353 PolarHBondContact O-N 2.69Å; E353-S355 VanDerWaalsContact C-N 3.33Å; E353-S355 PolarHBondContact O-N 3.12Å; E353-L356 PolarHBondContact O-N 3.22Å; E353-I357 WeakPolarHBondContact O-CB 3.45Å; E353-I357 WeakPolarHBondContact O-CD1 2.95Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.41Å; E353-I357 PolarHBondContact O-N 2.92Å; E353-I670 HydrophobicContact CG-CG2 4.3Å; E353-I670 WeakPolarHBondContact OE1-CB 3.35Å; E353-I670 WeakPolarHBondContact OE1-CG2 3.27Å; E353-F671 WeakPolarHBondContact OE1-CA 3.14Å; E353-F671 PolarHBondContact OE1-N 2.96Å; E353-F671 WeakPolarHBondContact OE2-CA 3.4Å; E353-F671 WeakPolarHBondContact OE2-CD2 3.44Å
354	Y	95	Very high	89.6	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-56	-47.2	176	-179.5	-104.9	0	0	0	112.4	A179 F182 G183 V186 V221 Q224 T225 L350 I352 I357 T358	A179-Y354 WeakPolarHBondContact O-CD2 3.23Å; A179-Y354 WeakPolarHBondContact O-CE2 3.5Å; F182-Y354 HydrophobicContact CB-CD2 4.27Å; G183-Y354 VanDerWaalsContact N-CD2 3.28Å; V186-Y354 HydrophobicContact CG2-CD1 4.33Å; V186-Y354 HydrophobicContact CG2-CG 4.22Å; V221-Y354 HydrophobicContact CB-CE1 4.42Å; V221-Y354 HydrophobicContact CG1-CE1 3.94Å; V221-Y354 HydrophobicContact CG1-CE2 4.37Å; V221-Y354 HydrophobicContact CG2-CE1 4.05Å; V221-Y354 PolarHBondContact O-OH 2.98Å; V221-Y354 VanDerWaalsContact O-OH 3.09Å; Q224-Y354 VanDerWaalsContact NE2-CE1 3.34Å; Q224-Y354 PolarHBondContact NE2-OH 2.96Å; Q224-Y354 VanDerWaalsContact NE2-OH 3.16Å; T225-Y354 PolarHBondContact N-OH 3.37Å; T225-Y354 VanDerWaalsContact OG1-CE2 3.23Å; T225-Y354 WeakPolarHBondContact OG1-CE2 3.47Å; T225-Y354 PolarHBondContact OG1-OH 3Å; L350-Y354 VanDerWaalsContact O-CB 3.29Å; L350-Y354 WeakPolarHBondContact O-CB 3.4Å; L350-Y354 PolarHBondContact O-N 2.99Å; I352-Y354 VanDerWaalsContact C-N 3.32Å; I352-Y354 PolarHBondContact O-N 2.95Å; Y354-I357 PolarHBondContact O-N 3.47Å; Y354-T358 HydrophobicContact CD2-CG2 4.11Å; Y354-T358 HydrophobicContact CE1-CG2 4.16Å; Y354-T358 HydrophobicContact CE2-CG2 3.62Å; Y354-T358 WeakPolarHBondContact O-CG2 3.42Å; Y354-T358 PolarHBondContact O-N 3.15Å; Y354-T358 PolarHBondContact O-OG1 3.46Å
355	S	94.4	Very high	90.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-65.9	-42.3	-177.1	-55.7	0	0	0	0	111.3	N254 H257 A351 I352 E353 T358 G359	N254-S355 WeakPolarHBondContact CB-O 3.49Å; N254-S355 WeakPolarHBondContact O-CB 3.48Å; H257-S355 PolarHBondContact ND1-OG 2.76Å; A351-S355 WeakPolarHBondContact O-CB 3.45Å; A351-S355 PolarHBondContact O-N 3.44Å; A351-S355 PolarHBondContact O-OG 3.37Å; I352-S355 PolarHBondContact O-N 3.38Å; I352-S355 VanDerWaalsContact O-N 3.12Å; E353-S355 VanDerWaalsContact C-N 3.33Å; E353-S355 PolarHBondContact O-N 3.12Å; S355-T358 PolarHBondContact O-OG1 3.2Å; S355-G359 PolarHBondContact O-N 3.41Å
356	L	92	Very high	90.7	Very high	33 Å²	33	19 Å²	19	17%	0.173	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-44.4	177.1	-69.2	175.4	0	0	0	111.9	W258 I352 E353 S360 L668 F671	W258-L356 HydrophobicContact CD2-CD2 4.22Å; W258-L356 HydrophobicContact CG-CD2 4.06Å; W258-L356 HydrophobicContact CG-CG 4.42Å; I352-L356 HydrophobicContact CG2-CD1 3.97Å; I352-L356 HydrophobicContact CG2-CG 4.44Å; I352-L356 PolarHBondContact O-N 3.01Å; E353-L356 PolarHBondContact O-N 3.22Å; L356-S360 WeakPolarHBondContact O-CB 3.25Å; L356-S360 PolarHBondContact O-N 3.35Å; L356-L668 HydrophobicContact CD1-CD2 4.36Å; L356-F671 HydrophobicContact CB-CD2 3.87Å; L356-F671 HydrophobicContact CB-CE2 3.77Å; L356-F671 HydrophobicContact CB-CZ 4.41Å; L356-F671 HydrophobicContact CD1-CB 3.98Å; L356-F671 HydrophobicContact CD1-CD1 4.47Å; L356-F671 HydrophobicContact CD1-CD2 3.85Å; L356-F671 HydrophobicContact CD1-CE2 4.49Å; L356-F671 HydrophobicContact CD1-CG 3.84Å
357	I	93.3	Very high	91	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-53.2	-179.7	-68.9	163.9	0	0	0	110.7	M175 A179 F182 E353 Y354 G359 S360 F361 F671 F674	M175-I357 HydrophobicContact CG-CG2 4.38Å; A179-I357 HydrophobicContact CB-CG2 3.84Å; F182-I357 HydrophobicContact CD2-CD1 3.34Å; F182-I357 HydrophobicContact CE2-CD1 3.48Å; F182-I357 VanDerWaalsContact CE2-CD1 3.48Å; E353-I357 WeakPolarHBondContact O-CB 3.45Å; E353-I357 WeakPolarHBondContact O-CD1 2.95Å; E353-I357 VanDerWaalsContact O-CG1 3.26Å; E353-I357 WeakPolarHBondContact O-CG1 3.41Å; E353-I357 PolarHBondContact O-N 2.92Å; Y354-I357 PolarHBondContact O-N 3.47Å; I357-G359 PolarHBondContact O-N 2.93Å; I357-S360 PolarHBondContact O-N 3.48Å; I357-S360 PolarHBondContact O-OG 3.33Å; I357-F361 HydrophobicContact CG2-CD1 4.11Å; I357-F361 HydrophobicContact CG2-CE1 3.61Å; I357-F361 HydrophobicContact CG2-CZ 4.07Å; I357-F361 WeakPolarHBondContact O-CD1 3.44Å; I357-F361 PolarHBondContact O-N 3.46Å; I357-F671 HydrophobicContact CG1-CE2 4.06Å; I357-F674 HydrophobicContact CD1-CD1 4.06Å; I357-F674 HydrophobicContact CD1-CE1 3.54Å; I357-F674 HydrophobicContact CD1-CZ 4.23Å; I357-F674 HydrophobicContact CG1-CE1 4.29Å
358	T	95.5	Very high	91	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.8	-37.1	-178	52.6	0	0	0	0	112.5	Q224 V228 N254 Y354 S355 S360 F361 F362	Q224-T358 HydrophobicContact CG-CG2 4.45Å; Q224-T358 PolarHBondContact NE2-OG1 3.19Å; V228-T358 HydrophobicContact CG2-CG2 4.49Å; N254-T358 VanDerWaalsContact CG-OG1 3.25Å; N254-T358 PolarHBondContact OD1-OG1 2.97Å; Y354-T358 HydrophobicContact CD2-CG2 4.11Å; Y354-T358 HydrophobicContact CE1-CG2 4.16Å; Y354-T358 HydrophobicContact CE2-CG2 3.62Å; Y354-T358 WeakPolarHBondContact O-CG2 3.42Å; Y354-T358 PolarHBondContact O-N 3.15Å; Y354-T358 PolarHBondContact O-OG1 3.46Å; S355-T358 PolarHBondContact O-OG1 3.2Å; T358-S360 VanDerWaalsContact C-N 3.34Å; T358-S360 PolarHBondContact O-N 2.94Å; T358-F361 WeakPolarHBondContact O-CB 3.45Å; T358-F361 PolarHBondContact O-N 3.4Å; T358-F362 WeakPolarHBondContact O-CD2 3.29Å; T358-F362 PolarHBondContact O-N 3.09Å; T358-F362 VanDerWaalsContact O-N 3.11Å
359	G	94.3	Very high	91.1	Very high	12 Å²	12	15.3 Å²	15.3	12%	0.124	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-45.3	170.4	0	0	0	0	0	112.5	S355 I357 F361 F362 Y363	S355-G359 PolarHBondContact O-N 3.41Å; I357-G359 PolarHBondContact O-N 2.93Å; G359-F361 VanDerWaalsContact C-N 3.3Å; G359-F361 PolarHBondContact O-N 3.01Å; G359-F362 PolarHBondContact O-N 3.35Å; G359-Y363 PolarHBondContact O-N 2.8Å; G359-Y363 VanDerWaalsContact O-N 3.09Å
360	S	91.9	Very high	90.8	Very high	10 Å²	10	18.6 Å²	18.6	7%	0.07	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-32.3	176.9	79.7	0	0	0	0	113	L356 I357 T358 K364	L356-S360 WeakPolarHBondContact O-CB 3.25Å; L356-S360 PolarHBondContact O-N 3.35Å; I357-S360 PolarHBondContact O-N 3.48Å; I357-S360 PolarHBondContact O-OG 3.33Å; T358-S360 VanDerWaalsContact C-N 3.34Å; T358-S360 PolarHBondContact O-N 2.94Å; S360-K364 WeakPolarHBondContact O-CB 3.26Å; S360-K364 PolarHBondContact O-N 2.91Å
361	F	94	Very high	90	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-48.5	178.4	-83.4	37.7	0	0	0	111.5	M171 M175 R176 V228 I357 T358 G359 Y363 K364 M365	M171-F361 HydrophobicContact CE-CB 4.06Å; M171-F361 HydrophobicContact CE-CD2 3.07Å; M171-F361 HydrophobicContact CE-CE2 3.59Å; M171-F361 HydrophobicContact CE-CG 3.69Å; M171-F361 HydrophobicContact SD-CB 3.95Å; M171-F361 HydrophobicContact SD-CD1 4.03Å; M171-F361 HydrophobicContact SD-CD2 3.55Å; M171-F361 VanDerWaalsContact SD-CD2 3.55Å; M171-F361 HydrophobicContact SD-CE1 4.48Å; M171-F361 HydrophobicContact SD-CE2 4.03Å; M171-F361 HydrophobicContact SD-CG 3.56Å; M171-F361 VanDerWaalsContact SD-CG 3.56Å; M171-F361 HydrophobicContact SD-CZ 4.48Å; M175-F361 HydrophobicContact CB-CE1 4.08Å; M175-F361 HydrophobicContact CB-CZ 3.92Å; M175-F361 HydrophobicContact CG-CE1 3.52Å; M175-F361 HydrophobicContact CG-CZ 3.86Å; M175-F361 HydrophobicContact SD-CD1 4.24Å; M175-F361 HydrophobicContact SD-CE1 3.38Å; M175-F361 WeakPolarHBondContact SD-CE1 3.38Å; M175-F361 HydrophobicContact SD-CZ 4.11Å; R176-F361 HydrophobicContact CG-CE2 3.76Å; R176-F361 HydrophobicContact CG-CZ 4.09Å; V228-F361 HydrophobicContact CB-CD2 4.15Å; V228-F361 HydrophobicContact CG1-CD2 3.18Å; V228-F361 HydrophobicContact CG1-CE2 3.4Å; V228-F361 VanDerWaalsContact CG1-CE2 3.4Å; V228-F361 HydrophobicContact CG1-CG 4.19Å; V228-F361 HydrophobicContact CG2-CB 4.28Å; V228-F361 HydrophobicContact CG2-CD2 4.16Å; I357-F361 HydrophobicContact CG2-CD1 4.11Å; I357-F361 HydrophobicContact CG2-CE1 3.61Å; I357-F361 HydrophobicContact CG2-CZ 4.07Å; I357-F361 WeakPolarHBondContact O-CD1 3.44Å; I357-F361 PolarHBondContact O-N 3.46Å; T358-F361 WeakPolarHBondContact O-CB 3.45Å; T358-F361 PolarHBondContact O-N 3.4Å; G359-F361 VanDerWaalsContact C-N 3.3Å; G359-F361 PolarHBondContact O-N 3.01Å; F361-Y363 VanDerWaalsContact C-N 3.28Å; F361-Y363 PolarHBondContact O-N 3.46Å; F361-K364 PolarHBondContact O-N 3.1Å; F361-K364 VanDerWaalsContact O-N 3.14Å; F361-M365 WeakPolarHBondContact O-CG 3.45Å; F361-M365 PolarHBondContact O-N 3.49Å
362	F	95	Very high	88.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-37.5	177.6	-69	-58.5	0	0	0	111.6	L58 Q224 F227 V228 Y247 L250 A251 T358 G359 M365 L366	L58-F362 HydrophobicContact CD2-CZ 4.3Å; Q224-F362 HydrophobicContact CG-CE2 3.85Å; Q224-F362 HydrophobicContact CG-CZ 3.94Å; F227-F362 AromaticContact CD1-CE1 3.83Å; F227-F362 HydrophobicContact CD1-CE1 3.83Å; F227-F362 HydrophobicContact CD1-CZ 4.28Å; F227-F362 AromaticContact CE1-CE1 3.87Å; F227-F362 HydrophobicContact CE1-CE1 3.87Å; V228-F362 HydrophobicContact CG2-CE1 4.18Å; V228-F362 HydrophobicContact CG2-CE2 4.1Å; V228-F362 HydrophobicContact CG2-CZ 3.75Å; Y247-F362 HydrophobicContact CD1-CD1 4.01Å; L250-F362 HydrophobicContact CB-CB 4.41Å; L250-F362 HydrophobicContact CB-CD1 4.03Å; L250-F362 HydrophobicContact CB-CD2 3.63Å; L250-F362 HydrophobicContact CB-CE1 4.18Å; L250-F362 HydrophobicContact CB-CE2 3.79Å; L250-F362 HydrophobicContact CB-CG 3.76Å; L250-F362 HydrophobicContact CB-CZ 4.07Å; L250-F362 HydrophobicContact CD1-CD1 3.94Å; L250-F362 HydrophobicContact CD1-CE1 3.53Å; L250-F362 HydrophobicContact CD1-CE2 4.36Å; L250-F362 HydrophobicContact CD1-CZ 3.77Å; L250-F362 HydrophobicContact CG-CE1 4.45Å; L250-F362 HydrophobicContact CG-CZ 4.38Å; A251-F362 HydrophobicContact CB-CB 4.05Å; T358-F362 WeakPolarHBondContact O-CD2 3.29Å; T358-F362 PolarHBondContact O-N 3.09Å; T358-F362 VanDerWaalsContact O-N 3.11Å; G359-F362 PolarHBondContact O-N 3.35Å; F362-M365 HydrophobicContact CD1-SD 4.3Å; F362-M365 PolarHBondContact O-N 3Å; F362-L366 WeakPolarHBondContact O-CB 3.25Å; F362-L366 PolarHBondContact O-N 2.93Å
363	Y	91.9	Very high	86.8	Confident	126 Å²	126	28.3 Å²	28.3	49%	0.494	14%	0.139	S	C	.	.	H	α-helix	trans	-62.7	-43.6	171.4	-176.3	-90	0	0	0	112.3	G359 F361 M365 L366 Q367 F566	G359-Y363 PolarHBondContact O-N 2.8Å; G359-Y363 VanDerWaalsContact O-N 3.09Å; F361-Y363 VanDerWaalsContact C-N 3.28Å; F361-Y363 PolarHBondContact O-N 3.46Å; Y363-M365 PolarHBondContact O-N 3.27Å; Y363-L366 WeakPolarHBondContact O-CB 3.22Å; Y363-L366 PolarHBondContact O-N 3Å; Y363-Q367 PolarHBondContact O-N 3.41Å; Y363-F566 AromaticContact CD1-CD2 3.98Å; Y363-F566 HydrophobicContact CD1-CD2 3.98Å; Y363-F566 AromaticContact CD1-CE2 3.22Å; Y363-F566 HydrophobicContact CD1-CE2 3.22Å; Y363-F566 AromaticContact CD1-CZ 3.76Å; Y363-F566 HydrophobicContact CD1-CZ 3.76Å; Y363-F566 AromaticContact CE1-CD2 3.91Å; Y363-F566 HydrophobicContact CE1-CD2 3.91Å; Y363-F566 AromaticContact CE1-CE2 3.48Å; Y363-F566 HydrophobicContact CE1-CE2 3.48Å; Y363-F566 VanDerWaalsContact CE1-CE2 3.48Å; Y363-F566 HydrophobicContact CE1-CZ 4.45Å; Y363-F566 HydrophobicContact CG-CE2 4.36Å
364	K	90.7	Very high	84.3	Confident	9 Å²	9	33.1 Å²	33.1	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-37.5	176.5	-169.2	168.3	-172.2	156.6	0	112.2	M171 S360 F361 Q367 R368 S563 F566 E567	M171-K364 HydrophobicContact CG-CD 4.23Å; M171-K364 HydrophobicContact SD-CD 4.33Å; S360-K364 WeakPolarHBondContact O-CB 3.26Å; S360-K364 PolarHBondContact O-N 2.91Å; F361-K364 PolarHBondContact O-N 3.1Å; F361-K364 VanDerWaalsContact O-N 3.14Å; K364-Q367 PolarHBondContact O-N 3.28Å; K364-R368 WeakPolarHBondContact O-CG 3.41Å; K364-R368 PolarHBondContact O-N 2.85Å; K364-S563 PolarHBondContact NZ-O 3.19Å; K364-S563 VanDerWaalsContact NZ-O 3.1Å; K364-F566 HydrophobicContact CB-CD1 4.26Å; K364-F566 HydrophobicContact CB-CE1 4.06Å; K364-F566 HydrophobicContact CD-CD1 3.8Å; K364-F566 HydrophobicContact CD-CE1 4.21Å; K364-F566 HydrophobicContact CG-CD1 4.22Å; K364-F566 HydrophobicContact CG-CE1 4.5Å; K364-E567 IonicContact NZ-OE1 3.86Å; K364-E567 PolarHBondContact NZ-OE1 3.29Å
365	M	91.3	Very high	81.3	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.044	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-42.2	173.1	-70.4	-175.9	-167.6	0	0	111.7	M171 F227 H232 Y247 F361 F362 Y363 R368 L369	M171-M365 HydrophobicContact CE-CE 3.43Å; M171-M365 VanDerWaalsContact CE-CE 3.43Å; F227-M365 HydrophobicContact CE1-CE 4.47Å; F227-M365 HydrophobicContact CE1-SD 4.18Å; H232-M365 HydrophobicContact CB-CE 4.49Å; Y247-M365 HydrophobicContact CD1-CB 4.42Å; Y247-M365 HydrophobicContact CD2-CB 4.42Å; Y247-M365 HydrophobicContact CE1-CB 4.27Å; Y247-M365 HydrophobicContact CE1-SD 3.96Å; Y247-M365 HydrophobicContact CE2-CB 4.26Å; F361-M365 WeakPolarHBondContact O-CG 3.45Å; F361-M365 PolarHBondContact O-N 3.49Å; F362-M365 HydrophobicContact CD1-SD 4.3Å; F362-M365 PolarHBondContact O-N 3Å; Y363-M365 PolarHBondContact O-N 3.27Å; M365-R368 PolarHBondContact O-N 3.44Å; M365-L369 PolarHBondContact O-N 2.95Å; M365-L369 VanDerWaalsContact O-N 3.14Å
366	L	90.6	Very high	78.2	Confident	22 Å²	22	48.2 Å²	48.2	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-47.3	173.5	178.3	67.9	0	0	0	111.4	R244 I248 F362 Y363 R368 L369 D370	R244-L366 HydrophobicContact CB-CD1 4.09Å; R244-L366 HydrophobicContact CG-CD1 3.91Å; I248-L366 HydrophobicContact CD1-CD2 4.04Å; I248-L366 HydrophobicContact CG1-CD1 4.3Å; I248-L366 HydrophobicContact CG1-CD2 3.5Å; I248-L366 VanDerWaalsContact CG1-CD2 3.5Å; F362-L366 WeakPolarHBondContact O-CB 3.25Å; F362-L366 PolarHBondContact O-N 2.93Å; Y363-L366 WeakPolarHBondContact O-CB 3.22Å; Y363-L366 PolarHBondContact O-N 3Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.94Å; L366-L369 VanDerWaalsContact O-CB 3.32Å; L366-L369 WeakPolarHBondContact O-CB 3.45Å; L366-L369 PolarHBondContact O-N 3.4Å; L366-L369 VanDerWaalsContact O-N 3.11Å; L366-D370 PolarHBondContact O-N 3.29Å
367	Q	87.9	Confident	75.2	Confident	42 Å²	42	55.6 Å²	55.6	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-38.8	179	-169.6	-176.7	17.6	0	0	112.3	Y363 K364 L369 D370 Q371	Y363-Q367 PolarHBondContact O-N 3.41Å; K364-Q367 PolarHBondContact O-N 3.28Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; Q367-D370 PolarHBondContact O-N 3.43Å; Q367-Q371 WeakPolarHBondContact O-CG 3.44Å; Q367-Q371 PolarHBondContact O-N 2.92Å
368	R	86.4	Confident	72.1	Confident	10 Å²	10	62.1 Å²	62.1	4%	0.038	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-36.6	176.2	-74.8	172.1	175.2	176.4	-3.6	112.5	E169 G170 H232 I235 K364 M365 L366 D370 Q371	E169-R368 PolarHBondContact O-NH2 3.08Å; G170-R368 PolarHBondContact O-NH2 2.63Å; G170-R368 VanDerWaalsContact O-NH2 3.08Å; H232-R368 PolarHBondContact O-NH1 2.93Å; I235-R368 HydrophobicContact CD1-CB 4.4Å; K364-R368 WeakPolarHBondContact O-CG 3.41Å; K364-R368 PolarHBondContact O-N 2.85Å; M365-R368 PolarHBondContact O-N 3.44Å; L366-R368 VanDerWaalsContact C-N 3.29Å; L366-R368 PolarHBondContact O-N 2.94Å; R368-D370 PolarHBondContact O-N 3.04Å; R368-Q371 PolarHBondContact O-N 3.48Å
369	L	85.6	Confident	68.9	Low	2 Å²	2	73.9 Å²	73.9	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-30.2	176.2	-172.4	64.2	0	0	0	112.3	I235 L236 L240 V243 R244 Y247 M365 L366 Q367 T372 F373	I235-L369 HydrophobicContact CG2-CD1 3.8Å; L236-L369 VanDerWaalsContact O-CD1 3.29Å; L236-L369 WeakPolarHBondContact O-CD1 3.33Å; L240-L369 HydrophobicContact CD1-CD1 3.51Å; L240-L369 HydrophobicContact CD1-CD2 3.78Å; L240-L369 HydrophobicContact CD1-CG 3.62Å; V243-L369 HydrophobicContact CB-CD2 4.36Å; V243-L369 HydrophobicContact CG1-CD2 3.82Å; R244-L369 HydrophobicContact CG-CD2 3.64Å; Y247-L369 HydrophobicContact CD2-CD2 4.46Å; Y247-L369 HydrophobicContact CE2-CD2 4.39Å; M365-L369 PolarHBondContact O-N 2.95Å; M365-L369 VanDerWaalsContact O-N 3.14Å; L366-L369 VanDerWaalsContact O-CB 3.32Å; L366-L369 WeakPolarHBondContact O-CB 3.45Å; L366-L369 PolarHBondContact O-N 3.4Å; L366-L369 VanDerWaalsContact O-N 3.11Å; Q367-L369 VanDerWaalsContact C-N 3.33Å; L369-T372 PolarHBondContact O-OG1 3.1Å; L369-T372 VanDerWaalsContact O-OG1 3.13Å; L369-F373 WeakPolarHBondContact O-CD2 3.34Å; L369-F373 WeakPolarHBondContact O-CE2 3.32Å
370	D	77.8	Confident	65.8	Low	72 Å²	72	79.9 Å²	79.9	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-82.1	-23.9	179.2	-65.9	-26.3	0	0	0	112.9	R244 L366 Q367 R368	R244-D370 IonicContact CZ-OD1 3.12Å; R244-D370 IonicContact NE-OD1 3.33Å; R244-D370 PolarHBondContact NE-OD1 3.44Å; R244-D370 IonicContact NH2-OD1 2.7Å; R244-D370 PolarHBondContact NH2-OD1 3.47Å; L366-D370 PolarHBondContact O-N 3.29Å; Q367-D370 PolarHBondContact O-N 3.43Å; R368-D370 PolarHBondContact O-N 3.04Å
371	Q	71.4	Confident	62.9	Low	82 Å²	82	85 Å²	85	38%	0.383	43%	0.429	S	S	.	.	H	α-helix	trans	-77.2	-24	178.9	-73.4	174	0.8	0	0	114	Q367 R368 F373	Q367-Q371 WeakPolarHBondContact O-CG 3.44Å; Q367-Q371 PolarHBondContact O-N 2.92Å; R368-Q371 PolarHBondContact O-N 3.48Å; Q371-F373 PolarHBondContact O-N 3.38Å
372	T	64.7	Low	59.8	Low	60 Å²	60	92.5 Å²	92.5	37%	0.368	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	1	177.4	38.5	0	0	0	0	114	I235 L369 P374	I235-T372 HydrophobicContact CD1-CG2 4.25Å; L369-T372 PolarHBondContact O-OG1 3.1Å; L369-T372 VanDerWaalsContact O-OG1 3.13Å; T372-P374 WeakPolarHBondContact O-CD 3.49Å
373	F	49.6	Very low	56.7	Low	97 Å²	97	95.3 Å²	95.3	43%	0.425	50%	0.498	S	S	.	.			trans	-90.7	106.9	169.1	-70.8	-83.4	0	0	0	110.3	L240 L369 Q371 K375	L240-F373 HydrophobicContact CD1-CE2 3.98Å; L240-F373 HydrophobicContact CD1-CZ 3.95Å; L240-F373 HydrophobicContact CD2-CE1 4.26Å; L240-F373 HydrophobicContact CD2-CE2 3.69Å; L240-F373 HydrophobicContact CD2-CZ 3.27Å; L240-F373 HydrophobicContact CG-CE2 4.46Å; L240-F373 HydrophobicContact CG-CZ 4.23Å; L369-F373 WeakPolarHBondContact O-CD2 3.34Å; L369-F373 WeakPolarHBondContact O-CE2 3.32Å; Q371-F373 PolarHBondContact O-N 3.38Å; F373-K375 PolarHBondContact O-N 3.41Å
374	P	36.5	Very low	53.8	Low	103 Å²	103	94.6 Å²	94.6	67%	0.669	51%	0.511	S	S	*	.			trans	-59.8	131.8	159.3	25.3	-30	0	0	0	107.3	T372 S376	T372-P374 WeakPolarHBondContact O-CD 3.49Å; P374-S376 PolarHBondContact O-N 3.27Å
375	K	32.8	Very low	51	Low	217 Å²	217	101.9 Å²	101.9	94%	0.943	55%	0.551	S	S	*	*			trans	-61.8	76.2	166.7	-69.2	177.5	177.3	178.6	0	108.6	F373	F373-K375 PolarHBondContact O-N 3.41Å
376	S	28.9	Very low	47.8	Very low	104 Å²	104	107.7 Å²	107.7	73%	0.727	59%	0.591	S	S	*	*			trans	-98.7	75	171.7	67	0	0	0	0	108.7	P374	P374-S376 PolarHBondContact O-N 3.27Å
377	F	29.6	Very low	45.1	Very low	188 Å²	188	113.7 Å²	113.7	83%	0.825	62%	0.622	S	S	*	*			trans	-143.7	125.5	156.7	-154.7	-97.1	0	0	0	105.9
378	N	27.2	Very low	42.5	Very low	137 Å²	137	116 Å²	116	73%	0.733	65%	0.648	S	S	*	*			trans	89.2	61.9	-168.9	-55.3	-3.6	0	0	0	116.2
379	R	27.6	Very low	39.9	Very low	247 Å²	247	123.4 Å²	123.4	93%	0.932	69%	0.688	S	S	*	*			trans	-99.9	91.4	136.2	-90.2	-176.1	175	175.6	-1.8	107
380	T	29.5	Very low	37.3	Very low	138 Å²	138	131.3 Å²	131.3	85%	0.847	73%	0.73	S	S	*	*			trans	178.4	71.7	155.8	29.4	0	0	0	0	107.4
381	S	31.2	Very low	35	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	74%	0.742	S	S	*	*			trans	-155.4	119.1	150.4	-172.3	0	0	0	0	107.3
382	N	29.6	Very low	33	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	77%	0.765	S	S	*	*			trans	-55.3	151.4	164.1	-69.3	-28.5	0	0	0	109.8
383	G	29.8	Very low	31.5	Very low	58 Å²	58	137.4 Å²	137.4	60%	0.598	79%	0.787	S	S	*	*	S	Bend	trans	93.7	106.9	160	0	0	0	0	0	115	D385	G383-D385 PolarHBondContact O-N 3.03Å
384	S	31	Very low	30.6	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	81%	0.805	S	S	*	*			trans	41.3	83.8	130.6	57.2	0	0	0	0	117.3
385	D	31.8	Very low	30.4	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	81%	0.814	S	S	*	*			trans	-161.5	74.6	154.2	-89.1	-29.1	0	0	0	109.7	G383	G383-D385 PolarHBondContact O-N 3.03Å
386	C	24.9	Very low	30.3	Very low	131 Å²	131	139.7 Å²	139.7	89%	0.885	81%	0.807	S	S	*	*			trans	-121.9	62	166.7	-81.8	0	0	0	0	109.3
387	L	33.4	Very low	30.4	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	81%	0.808	S	S	*	*			trans	-145.6	141.6	164.6	-77.7	176	0	0	0	109.3
388	A	33.3	Very low	30.6	Very low	90 Å²	90	137.1 Å²	137.1	74%	0.744	81%	0.81	S	S	*	*			trans	82	99.3	175.6	0	0	0	0	0	116.9
389	L	30.9	Very low	30.8	Very low	165 Å²	165	136 Å²	136	86%	0.864	81%	0.81	S	S	*	*				-162.8	89.5	107.9	-119.8	97.1	0	0	0	109.5
390	N	31.5	Very low	30.9	Very low	169 Å²	169	131.9 Å²	131.9	90%	0.904	81%	0.805	S	S	*	*			trans	-85.1	115.6	155.8	-88.3	-25.5	0	0	0	107.5
391	S	29.4	Very low	31.1	Very low	90 Å²	90	129.8 Å²	129.8	63%	0.629	80%	0.797	S	S	*	*			trans	-176.5	130.3	152.1	41.6	0	0	0	0	109.2
392	P	29.4	Very low	31.1	Very low	135 Å²	135	130 Å²	130	88%	0.877	79%	0.793	S	S	*	*				-136.3	111.3	115	32.1	-17.9	0	0	0	110.2
393	S	33.8	Very low	30.9	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	79%	0.786	S	S	*	*			trans	-143.9	127.2	152.9	58.3	0	0	0	0	107.5
394	L	30.1	Very low	31.1	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	80%	0.797	S	S	*	*			trans	-122.7	142.8	173.1	-114.7	143.6	0	0	0	105.2
395	F	32.8	Very low	31	Very low	196 Å²	196	132.2 Å²	132.2	86%	0.86	80%	0.795	S	S	*	*	S	Bend	trans	80.7	117.1	-169.7	-52.1	-74.4	0	0	0	113.5
396	S	30.9	Very low	31.1	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	80%	0.795	S	S	*	*			cis	-165.6	166.3	8.3	-145.2	0	0	0	0	107.7
397	P	31.7	Very low	31.6	Very low	115 Å²	115	132.7 Å²	132.7	75%	0.747	79%	0.787	S	S	*	*			trans	-98.7	148	-154.7	37.2	-33	0	0	0	115.9
398	S	32.6	Very low	31.7	Very low	123 Å²	123	134.2 Å²	134.2	86%	0.86	79%	0.787	S	S	*	*			trans	-170.5	144.1	139.2	21.2	0	0	0	0	110.9
399	P	32.5	Very low	31.9	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	79%	0.786	S	S	*	*			trans	-115.2	177.8	-164.8	39.2	-24.4	0	0	0	115
400	L	29.3	Very low	32.4	Very low	161 Å²	161	137 Å²	137	84%	0.843	78%	0.784	S	S	*	*			trans	82	134.1	176.4	-76.7	87.7	0	0	0	115.2
401	S	32.5	Very low	32.6	Very low	95 Å²	95	136.3 Å²	136.3	66%	0.664	77%	0.773	S	S	*	*			cis	-168.9	162.9	10.1	44.1	0	0	0	0	110.8
402	T	31.7	Very low	32.9	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	77%	0.773	S	S	*	*			trans	76.7	89.4	151.8	40.1	0	0	0	0	121.1
403	T	26.7	Very low	33.3	Very low	115 Å²	115	139.4 Å²	139.4	71%	0.706	77%	0.767	S	S	*	*				30.5	121.4	119.6	54.1	0	0	0	0	120.1
404	N	32.2	Very low	33.3	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	77%	0.766	S	S	*	*				-168.1	138.8	110	-91.3	-16.2	0	0	0	113.8
405	S	30.3	Very low	33.7	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	76%	0.76	S	S	*	*			trans	-37.2	131.3	174.3	51.1	0	0	0	0	118.7
406	I	34	Very low	33.9	Very low	169 Å²	169	139.9 Å²	139.9	87%	0.867	76%	0.756	S	S	*	*			trans	-138.6	126.2	143.6	-61.5	-174.8	0	0	0	110.6
407	N	34.8	Very low	34.1	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	75%	0.752	S	S	*	*			trans	-23.1	139.2	178.4	-65.6	-27.8	0	0	0	122.5	I409	N407-I409 VanDerWaalsContact C-N 3.3Å; N407-I409 PolarHBondContact O-N 3.17Å; N407-I409 VanDerWaalsContact O-N 3.16Å
408	K	34.4	Very low	34.2	Very low	182 Å²	182	142.6 Å²	142.6	79%	0.791	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	43.3	177.9	-161.9	-177.8	-179	-177.7	0	113.6
409	I	38.7	Very low	34.3	Very low	140 Å²	140	142.9 Å²	142.9	72%	0.718	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-9.1	-177	-63	176.3	0	0	0	112.5	N407	N407-I409 VanDerWaalsContact C-N 3.3Å; N407-I409 PolarHBondContact O-N 3.17Å; N407-I409 VanDerWaalsContact O-N 3.16Å
410	E	41.7	Very low	34.3	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	75%	0.752	S	S	*	*	S	Bend	trans	-96.3	-7.8	-176.8	-156.7	161.9	-168.8	0	0	114.3
411	F	34.7	Very low	34.4	Very low	153 Å²	153	143.2 Å²	143.2	67%	0.671	75%	0.751	S	S	*	*	S	Bend	trans	-91.5	-28	-176	-161.9	-100.9	0	0	0	113.7
412	D	36.9	Very low	34.2	Very low	119 Å²	119	147.3 Å²	147.3	64%	0.636	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-81.9	-14.3	-178.5	-72.5	-22.4	0	0	0	113.4	F414	D412-F414 PolarHBondContact O-N 3.4Å
413	K	38.1	Very low	33.9	Very low	172 Å²	172	150.4 Å²	150.4	75%	0.748	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-76	-9.7	173.5	-122.1	178.6	-176.3	178.3	0	114
414	F	33.6	Very low	34.1	Very low	180 Å²	180	153.7 Å²	153.7	79%	0.789	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-95.2	-4.4	-177.3	-127.7	-87.5	0	0	0	113.3	D412	D412-F414 PolarHBondContact O-N 3.4Å
415	L	38.9	Very low	33.8	Very low	134 Å²	134	155 Å²	155	70%	0.702	77%	0.773	S	S	*	*	S	Bend	trans	-110.5	-4.9	-175.7	-119.8	101.6	0	0	0	114.7
416	E	35.9	Very low	33.8	Very low	164 Å²	164	159.3 Å²	159.3	77%	0.766	78%	0.782	S	S	*	*	S	Bend	trans	-98.6	-7.9	177.7	-82.1	-176.8	152.6	0	0	114.4
417	D	34.5	Very low	33.6	Very low	134 Å²	134	159.6 Å²	159.6	72%	0.717	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-84	-6.6	-177.2	-80.8	-20.9	0	0	0	114.8	V419	D417-V419 PolarHBondContact O-N 2.88Å
418	D	35.1	Very low	33.7	Very low	152 Å²	152	161.7 Å²	161.7	81%	0.813	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-89	9.7	-174.8	-92.6	-18.9	0	0	0	114.9
419	V	35.1	Very low	34.1	Very low	128 Å²	128	159.2 Å²	159.2	78%	0.776	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-118.3	6.2	-173.4	-175.5	0	0	0	0	114.7	D417	D417-V419 PolarHBondContact O-N 2.88Å
420	S	31.1	Very low	34.3	Very low	105 Å²	105	157 Å²	157	73%	0.734	77%	0.765	S	S	*	*			trans	-127.2	15.7	-176.1	-55.4	0	0	0	0	117.1	H422	S420-H422 PolarHBondContact O-N 2.87Å
421	E	31.5	Very low	34.7	Very low	176 Å²	176	155.1 Å²	155.1	82%	0.822	76%	0.755	S	S	*	*			trans	-80.8	56.5	178.3	-77.8	-166.2	149.3	0	0	113.9
422	H	27.8	Very low	35.2	Very low	180 Å²	180	149.1 Å²	149.1	83%	0.833	73%	0.732	S	S	*	*	S	Bend	trans	-133.7	70.2	160.9	-93.3	0.2	0	0	0	109.5	S420	S420-H422 PolarHBondContact O-N 2.87Å
423	Q	25.9	Very low	35.7	Very low	188 Å²	188	148.7 Å²	148.7	88%	0.879	73%	0.729	S	S	*	*			trans	150.4	88	157.8	-87.2	168.1	-1.5	0	0	108.7
424	Q	30.5	Very low	36.2	Very low	183 Å²	183	148.7 Å²	148.7	86%	0.855	73%	0.729	S	S	*	*			trans	-148.6	113.4	161.4	-112	168	28.8	0	0	112.1
425	Q	27.3	Very low	36.9	Very low	184 Å²	184	142.2 Å²	142.2	86%	0.86	70%	0.701	S	S	*	*			trans	-55.7	149	166.3	-71.7	162	-38	0	0	110.6	Q427	Q425-Q427 PolarHBondContact O-N 3.26Å
426	Q	28.5	Very low	37.2	Very low	196 Å²	196	141.6 Å²	141.6	92%	0.916	70%	0.696	S	S	*	*			trans	-44.7	94.9	-179.3	-75	159	-29.8	0	0	113.9
427	Q	30.8	Very low	37.6	Very low	175 Å²	175	140 Å²	140	82%	0.818	70%	0.698	S	S	*	*			trans	-101.2	115.3	169	-163.6	150.8	-34.2	0	0	109.5	Q425 H429	Q425-Q427 PolarHBondContact O-N 3.26Å; Q427-H429 PolarHBondContact O-N 3.41Å
428	Y	35.9	Very low	38.1	Very low	176 Å²	176	134.9 Å²	134.9	69%	0.69	67%	0.668	S	S	*	*			trans	-58.1	119.1	-178	-84.7	-103.6	0	0	0	111.8
429	H	43	Very low	38.7	Very low	130 Å²	130	136.7 Å²	136.7	60%	0.602	66%	0.664	S	S	*	*			trans	-69.7	123.4	171.5	-134.3	-75.4	0	0	0	109.5	Q427 E431 C432	Q427-H429 PolarHBondContact O-N 3.41Å; H429-E431 PolarHBondContact O-N 3.06Å; H429-C432 PolarHBondContact O-N 2.94Å
430	P	44	Very low	39.4	Very low	95 Å²	95	132.2 Å²	132.2	62%	0.617	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-60.8	-18.3	-174.3	19.9	-30.7	0	0	0	113.9	I433	P430-I433 PolarHBondContact O-N 2.82Å
431	E	49	Very low	40.2	Very low	133 Å²	133	132.1 Å²	132.1	62%	0.621	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-71.8	-22.8	175.8	-65	-125.1	127.6	0	0	114.1	H429 I433	H429-E431 PolarHBondContact O-N 3.06Å; E431-I433 PolarHBondContact O-N 2.97Å
432	C	46.1	Very low	40.9	Very low	27 Å²	27	133 Å²	133	18%	0.182	64%	0.639	C	S	.	*	G	3₁₀ helix	trans	-73.7	-14	175.4	-82.1	0	0	0	0	113.2	H429 K434 H435 C607 C608	H429-C432 PolarHBondContact O-N 2.94Å; C432-K434 VanDerWaalsContact C-N 3.35Å; C432-H435 PolarHBondContact O-N 3.34Å; C432-C607 PolarHBondContact SG-SG 2.85Å; C432-C608 HydrophobicContact CB-CB 4.36Å; C432-C608 WeakPolarHBondContact CB-SG 3.21Å; C432-C608 WeakPolarHBondContact SG-CB 3.25Å; C432-C608 CovalentContact SG-SG 2.08Å; C432-C608 PolarHBondContact SG-SG 3.36Å
433	I	47.3	Very low	41.7	Very low	110 Å²	110	126.4 Å²	126.4	56%	0.564	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-72.4	-28.4	-179.7	-59	175.3	0	0	0	111.5	P430 E431 H435 M436	P430-I433 PolarHBondContact O-N 2.82Å; E431-I433 PolarHBondContact O-N 2.97Å; I433-H435 PolarHBondContact O-N 3.49Å; I433-M436 PolarHBondContact O-N 3.29Å
434	K	47.4	Very low	42.1	Very low	172 Å²	172	123 Å²	123	75%	0.748	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-64.6	-9.4	176	-80.7	-179.1	178.2	171.3	0	114.2	C432	C432-K434 VanDerWaalsContact C-N 3.35Å
435	H	48.8	Very low	42.6	Very low	44 Å²	44	120.9 Å²	120.9	20%	0.204	60%	0.603	C	S	.	*	G	3₁₀ helix	trans	-105.6	13.6	-174.9	-63.5	-79.8	0	0	0	114.4	C432 I433 T437 Q554 Q611	C432-H435 PolarHBondContact O-N 3.34Å; I433-H435 PolarHBondContact O-N 3.49Å; H435-T437 PolarHBondContact O-N 3.35Å; H435-Q554 PolarHBondContact CE1-O 3.15Å; H435-Q611 PolarHBondContact NE2-NE2 3.49Å
436	M	45.9	Very low	43.3	Very low	122 Å²	122	114.1 Å²	114.1	60%	0.601	57%	0.574	S	S	*	*	S	Bend	trans	-71	-10.5	178.1	-96.3	169.3	69.2	0	0	114.6	I433 L450	I433-M436 PolarHBondContact O-N 3.29Å; M436-L450 HydrophobicContact CE-CD2 4.15Å
437	T	43.6	Very low	43.9	Very low	131 Å²	131	113 Å²	113	80%	0.804	57%	0.566	S	S	*	*			trans	-127.5	79.5	179.1	55.4	0	0	0	0	111.5	H435	H435-T437 PolarHBondContact O-N 3.35Å
438	Y	45.5	Very low	44.5	Very low	25 Å²	25	107.8 Å²	107.8	10%	0.098	54%	0.544	C	S	.	.			trans	-93.1	121.7	167.9	178.7	-98	0	0	0	109.9	P440 Q551 I614 P616	Y438-P440 HydrophobicContact CD1-CG 4.49Å; Y438-P440 HydrophobicContact CE1-CB 4.21Å; Y438-P440 HydrophobicContact CE1-CG 4.2Å; Y438-Q551 PolarHBondContact OH-OE1 2.92Å; Y438-I614 HydrophobicContact CD1-CG2 3.82Å; Y438-I614 HydrophobicContact CD2-CG2 4.4Å; Y438-I614 HydrophobicContact CE1-CG2 4.22Å; Y438-I614 HydrophobicContact CG-CG2 3.91Å; Y438-P616 HydrophobicContact CE2-CB 4.12Å
439	R	47.3	Very low	44.6	Very low	191 Å²	191	104.4 Å²	104.4	72%	0.721	54%	0.544	S	S	*	.			trans	-108.5	113.9	174.5	-154	-179.4	-162.5	-164.9	4.3	108.9	V441	R439-V441 PolarHBondContact O-N 3.21Å
440	P	50.9	Low	44.4	Very low	34 Å²	34	105 Å²	105	22%	0.221	55%	0.55	C	S	.	*			trans	-66.7	133.5	173.7	0.1	10.3	0	0	0	110.1	Y438 M442 G443 V446	Y438-P440 HydrophobicContact CD1-CG 4.49Å; Y438-P440 HydrophobicContact CE1-CB 4.21Å; Y438-P440 HydrophobicContact CE1-CG 4.2Å; P440-M442 PolarHBondContact O-N 2.94Å; P440-G443 WeakPolarHBondContact CD-O 3.33Å; P440-G443 WeakPolarHBondContact CG-O 3.32Å; P440-G443 PolarHBondContact O-N 3.49Å; P440-V446 HydrophobicContact CG-CG2 4.46Å
441	V	47.7	Very low	44.3	Very low	102 Å²	102	106.2 Å²	106.2	62%	0.618	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	109.6	163.6	-176.2	0	0	0	0	105.6	R439	R439-V441 PolarHBondContact O-N 3.21Å
442	M	46.5	Very low	43.5	Very low	196 Å²	196	108.9 Å²	108.9	97%	0.966	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.6	21.4	-174.2	-54.1	-90.8	-151.4	0	0	118.6	P440	P440-M442 PolarHBondContact O-N 2.94Å
443	G	43.4	Very low	42.7	Very low	41 Å²	41	116.1 Å²	116.1	42%	0.423	59%	0.589	S	S	.	*	S	Bend	trans	-168.6	164.4	173.7	0	0	0	0	0	116.4	P440	P440-G443 WeakPolarHBondContact CD-O 3.33Å; P440-G443 WeakPolarHBondContact CG-O 3.32Å; P440-G443 PolarHBondContact O-N 3.49Å
444	C	33.6	Very low	41.8	Very low	117 Å²	117	117.4 Å²	117.4	79%	0.791	60%	0.597	S	S	*	*			trans	-50.5	151.4	-172.4	-72.9	0	0	0	0	115.1	V446	C444-V446 PolarHBondContact O-N 2.97Å
445	K	41.1	Very low	41.1	Very low	137 Å²	137	120.4 Å²	120.4	60%	0.596	60%	0.604	S	S	*	*			trans	-55.5	125	170.4	-77.3	-178.5	178.5	176.7	0	109.1	F447	K445-F447 HydrophobicContact CB-CD2 4.13Å; K445-F447 HydrophobicContact CB-CE2 3.73Å; K445-F447 HydrophobicContact CD-CE2 3.94Å; K445-F447 HydrophobicContact CD-CZ 4.07Å; K445-F447 HydrophobicContact CG-CE2 4.5Å; K445-F447 PolarHBondContact O-N 3.17Å
446	V	42.4	Very low	40.1	Very low	43 Å²	43	126.2 Å²	126.2	26%	0.261	64%	0.635	S	S	.	*			trans	-90.1	106.3	174.1	-178.9	0	0	0	0	106.7	P440 C444 L448	P440-V446 HydrophobicContact CG-CG2 4.46Å; C444-V446 PolarHBondContact O-N 2.97Å; V446-L448 HydrophobicContact CG1-CD1 4.05Å
447	F	41.2	Very low	39.5	Very low	171 Å²	171	125.8 Å²	125.8	75%	0.75	64%	0.642	S	S	*	*			trans	-90.1	116	165.9	-72.5	-85.9	0	0	0	107.6	K445	K445-F447 HydrophobicContact CB-CD2 4.13Å; K445-F447 HydrophobicContact CB-CE2 3.73Å; K445-F447 HydrophobicContact CD-CE2 3.94Å; K445-F447 HydrophobicContact CD-CZ 4.07Å; K445-F447 HydrophobicContact CG-CE2 4.5Å; K445-F447 PolarHBondContact O-N 3.17Å
448	L	44.7	Very low	38.7	Very low	67 Å²	67	127 Å²	127	35%	0.351	64%	0.642	S	S	.	*			trans	-80.6	135.6	163.1	-91.3	97.2	0	0	0	108.4	V446 L450 N610 I614	V446-L448 HydrophobicContact CG1-CD1 4.05Å; L448-L450 PolarHBondContact O-N 2.88Å; L448-N610 VanDerWaalsContact CD1-OD1 3.32Å; L448-N610 WeakPolarHBondContact CD1-OD1 3.27Å; L448-N610 WeakPolarHBondContact CD2-OD1 3.5Å; L448-I614 HydrophobicContact CD1-CD1 4.04Å; L448-I614 HydrophobicContact CD1-CG1 3.87Å
449	P	37.2	Very low	38.1	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	68%	0.678	S	S	*	*			trans	-57.3	132.8	166.7	-15.5	27.6	0	0	0	108.8	L451	P449-L451 PolarHBondContact O-N 3.42Å
450	L	39.5	Very low	37.2	Very low	141 Å²	141	131.1 Å²	131.1	74%	0.738	68%	0.679	S	S	*	*			trans	-59.5	110.5	165.8	-74.9	167.8	0	0	0	107	M436 L448 K452	M436-L450 HydrophobicContact CE-CD2 4.15Å; L448-L450 PolarHBondContact O-N 2.88Å; L450-K452 PolarHBondContact O-N 2.83Å
451	L	40.6	Very low	36.2	Very low	122 Å²	122	138.4 Å²	138.4	64%	0.639	71%	0.71	S	S	*	*			trans	-56.6	109.8	165.4	-88.9	161.8	0	0	0	106.5	P449 K453	P449-L451 PolarHBondContact O-N 3.42Å; L451-K453 PolarHBondContact O-N 3.48Å
452	K	33.5	Very low	35.5	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	72%	0.719	S	S	*	*			trans	-58.2	114.3	-171.8	-132.3	174.6	-174.8	172.6	0	108.7	L450 N454	L450-K452 PolarHBondContact O-N 2.83Å; K452-N454 PolarHBondContact O-N 3.25Å
453	K	28.8	Very low	34.5	Very low	179 Å²	179	142.4 Å²	142.4	78%	0.778	71%	0.712	S	S	*	*			trans	-50.8	124.2	167.4	-167.9	177.3	-176.4	-178.7	0	109.1	L451	L451-K453 PolarHBondContact O-N 3.48Å
454	N	28.7	Very low	33.9	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	72%	0.721	S	S	*	*			trans	61.5	97	158	-56.7	-5.2	0	0	0	117.5	K452	K452-N454 PolarHBondContact O-N 3.25Å
455	R	32.1	Very low	33.9	Very low	234 Å²	234	145.4 Å²	145.4	88%	0.883	72%	0.724	S	S	*	*			trans	-131.9	78.8	141.6	-77.9	-160.8	-166.7	-168.3	4.8	109.5
456	L	29	Very low	33.5	Very low	166 Å²	166	143.9 Å²	143.9	87%	0.869	73%	0.731	S	S	*	*			trans	-101.1	109.7	149.3	-108.2	121.8	0	0	0	105.3	I458	L456-I458 PolarHBondContact O-N 3.38Å
457	P	31.9	Very low	33.3	Very low	114 Å²	114	147 Å²	147	74%	0.74	75%	0.745	S	S	*	*			trans	-76.7	112.7	165.7	22.1	-11.3	0	0	0	107.2	L459	P457-L459 PolarHBondContact O-N 3.27Å; P457-L459 VanDerWaalsContact O-N 3.12Å
458	I	28.2	Very low	33.1	Very low	157 Å²	157	145.1 Å²	145.1	81%	0.805	75%	0.747	S	S	*	*			trans	-54.7	108.3	152.4	-60.9	157.5	0	0	0	105.2	L456	L456-I458 PolarHBondContact O-N 3.38Å
459	L	32.1	Very low	32.7	Very low	163 Å²	163	150.1 Å²	150.1	85%	0.853	77%	0.769	S	S	*	*			trans	-141.8	118.4	163.2	-149.2	78.6	0	0	0	109.9	P457	P457-L459 PolarHBondContact O-N 3.27Å; P457-L459 VanDerWaalsContact O-N 3.12Å
460	N	28.6	Very low	32.6	Very low	139 Å²	139	152.5 Å²	152.5	74%	0.743	77%	0.771	S	S	*	*			trans	-53	159.7	176.8	-66.9	-24.2	0	0	0	112.8	H462	N460-H462 PolarHBondContact O-N 2.98Å; N460-H462 VanDerWaalsContact O-N 3.14Å
461	E	29.9	Very low	32.2	Very low	187 Å²	187	150.2 Å²	150.2	87%	0.874	76%	0.76	S	S	*	*	S	Bend	trans	-24.2	107.2	158	-68.5	170.9	132.6	0	0	114.2
462	H	32	Very low	31.9	Very low	175 Å²	175	152.4 Å²	152.4	81%	0.81	76%	0.764	S	S	*	*				170.1	122	124.5	-109.8	-70.1	0	0	0	111.6	N460	N460-H462 PolarHBondContact O-N 2.98Å; N460-H462 VanDerWaalsContact O-N 3.14Å
463	Y	27.1	Very low	32	Very low	207 Å²	207	150.4 Å²	150.4	81%	0.812	76%	0.757	S	S	*	*			trans	49.9	110.7	138.2	-138	-99.9	0	0	0	120.8
464	S	30.1	Very low	32.3	Very low	89 Å²	89	147.2 Å²	147.2	62%	0.622	75%	0.748	S	S	*	*				161.4	142	117.1	-70.3	0	0	0	0	113
465	P	32.4	Very low	32.4	Very low	131 Å²	131	144.4 Å²	144.4	85%	0.851	74%	0.738	S	S	*	*			trans	-93	103.7	-176	34.8	-27.8	0	0	0	111.8
466	S	34.4	Very low	32.5	Very low	105 Å²	105	136 Å²	136	73%	0.734	72%	0.716	S	S	*	*			trans	-148.7	12.1	171.7	55.2	0	0	0	0	115.7
467	I	36.6	Very low	33	Very low	108 Å²	108	133.5 Å²	133.5	55%	0.554	70%	0.703	S	S	*	*			trans	-106.1	49.7	-173.7	-43.3	178.6	0	0	0	112.2	E470 N471	I467-E470 HydrophobicContact CG2-CB 4.49Å; I467-N471 PolarHBondContact O-ND2 3.06Å
468	V	37.1	Very low	33.4	Very low	132 Å²	132	134.6 Å²	134.6	80%	0.8	70%	0.699	S	S	*	*	S	Bend	trans	-101.2	-17.1	174.8	179.6	0	0	0	0	112.3
469	E	37.8	Very low	33.9	Very low	173 Å²	173	133.8 Å²	133.8	81%	0.808	69%	0.691	S	S	*	*	S	Bend	trans	-96.5	-25.5	-177.6	-112.8	157.4	178.5	0	0	114.7
470	E	33.7	Very low	34.4	Very low	154 Å²	154	131 Å²	131	72%	0.72	68%	0.677	S	S	*	*	H	α-helix	trans	-78.7	-22.3	179.7	-144.6	175.8	-175.6	0	0	113	I467 K472	I467-E470 HydrophobicContact CG2-CB 4.49Å; E470-K472 VanDerWaalsContact C-N 3.31Å; E470-K472 PolarHBondContact O-N 2.73Å
471	N	32.3	Very low	35.2	Very low	94 Å²	94	129.1 Å²	129.1	50%	0.503	67%	0.667	S	S	.	*	H	α-helix	trans	-76.6	-13.8	179.3	-74.7	-40.7	0	0	0	113.8	I467	I467-N471 PolarHBondContact O-ND2 3.06Å
472	K	34	Very low	35.9	Very low	168 Å²	168	123.7 Å²	123.7	73%	0.73	65%	0.649	S	S	*	*	H	α-helix	trans	-80	-30.6	177.3	-116.2	176.1	-179.6	177.2	0	112.7	E470 S476	E470-K472 VanDerWaalsContact C-N 3.31Å; E470-K472 PolarHBondContact O-N 2.73Å; K472-S476 PolarHBondContact O-OG 2.77Å; K472-S476 VanDerWaalsContact O-OG 3.06Å
473	Q	36.1	Very low	36.4	Very low	146 Å²	146	122 Å²	122	68%	0.682	64%	0.64	S	S	*	*	H	α-helix	trans	-73.4	-37	176.4	-137.4	101.5	-2.6	0	0	111.3	C475 S476	Q473-C475 PolarHBondContact O-N 2.86Å; Q473-S476 WeakPolarHBondContact O-CB 3.46Å; Q473-S476 PolarHBondContact O-N 2.84Å
474	L	33.6	Very low	37.2	Very low	112 Å²	112	118.5 Å²	118.5	59%	0.586	63%	0.629	S	S	*	*	H	α-helix	trans	-67.5	-34.6	-178.5	-153	79.5	0	0	0	113.5	S476 E478	L474-S476 PolarHBondContact O-N 3.38Å; L474-E478 PolarHBondContact O-N 3.1Å
475	C	31.4	Very low	38	Very low	78 Å²	78	117.2 Å²	117.2	53%	0.527	62%	0.615	S	S	.	*	H	α-helix	trans	-69.2	-21.1	175.2	-80.6	0	0	0	0	113.5	Q473 Q479	Q473-C475 PolarHBondContact O-N 2.86Å; C475-Q479 PolarHBondContact O-N 2.94Å
476	S	34.2	Very low	38.6	Very low	58 Å²	58	113.7 Å²	113.7	41%	0.406	59%	0.593	S	S	.	*	H	α-helix	trans	-76.3	-45.8	179.6	-47.8	0	0	0	0	110.6	K472 Q473 L474 E478 Q479 D480	K472-S476 PolarHBondContact O-OG 2.77Å; K472-S476 VanDerWaalsContact O-OG 3.06Å; Q473-S476 WeakPolarHBondContact O-CB 3.46Å; Q473-S476 PolarHBondContact O-N 2.84Å; L474-S476 PolarHBondContact O-N 3.38Å; S476-E478 VanDerWaalsContact C-N 3.33Å; S476-E478 PolarHBondContact O-N 3.5Å; S476-Q479 PolarHBondContact O-N 3.34Å; S476-D480 PolarHBondContact O-N 2.81Å; S476-D480 VanDerWaalsContact O-N 3.1Å
477	D	39.2	Very low	39.2	Very low	114 Å²	114	114 Å²	114	61%	0.61	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-31.6	178.2	-72.7	-24.7	0	0	0	112.6	L481	D477-L481 VanDerWaalsContact O-CB 3.28Å; D477-L481 WeakPolarHBondContact O-CB 3.38Å; D477-L481 PolarHBondContact O-N 3.23Å
478	E	41	Very low	39.7	Very low	137 Å²	137	113.9 Å²	113.9	64%	0.64	58%	0.584	S	S	*	*	H	α-helix	trans	-74.3	-34.2	177.9	-149.6	173.5	175.7	0	0	112.1	L474 S476 S482	L474-E478 PolarHBondContact O-N 3.1Å; S476-E478 VanDerWaalsContact C-N 3.33Å; S476-E478 PolarHBondContact O-N 3.5Å; E478-S482 WeakPolarHBondContact O-CB 3.5Å; E478-S482 PolarHBondContact O-N 3.41Å
479	Q	38.5	Very low	40.3	Very low	139 Å²	139	112.5 Å²	112.5	65%	0.65	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-43.1	173.2	-83.1	-176.6	-20.2	0	0	112.1	C475 S476 S482 K483	C475-Q479 PolarHBondContact O-N 2.94Å; S476-Q479 PolarHBondContact O-N 3.34Å; Q479-S482 PolarHBondContact O-N 3.09Å; Q479-S482 PolarHBondContact O-OG 3.01Å; Q479-K483 WeakPolarHBondContact O-CB 3.4Å; Q479-K483 PolarHBondContact O-N 3.25Å
480	D	41.5	Very low	40.9	Very low	105 Å²	105	107.9 Å²	107.9	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-68.7	-36.9	178.3	-78.2	-25.8	0	0	0	112.5	S476 K483 F484	S476-D480 PolarHBondContact O-N 2.81Å; S476-D480 VanDerWaalsContact O-N 3.1Å; D480-K483 PolarHBondContact O-N 3.01Å; D480-F484 WeakPolarHBondContact O-CB 3.4Å; D480-F484 PolarHBondContact O-N 3.45Å
481	L	46	Very low	42	Very low	99 Å²	99	106.6 Å²	106.6	52%	0.518	55%	0.548	S	S	.	.	H	α-helix	trans	-67	-37.8	172.6	-162.8	74.4	0	0	0	111.3	D477 K483 N485	D477-L481 VanDerWaalsContact O-CB 3.28Å; D477-L481 WeakPolarHBondContact O-CB 3.38Å; D477-L481 PolarHBondContact O-N 3.23Å; L481-K483 VanDerWaalsContact C-N 3.34Å; L481-N485 WeakPolarHBondContact O-CB 3.19Å; L481-N485 PolarHBondContact O-N 3.49Å; L481-N485 PolarHBondContact O-ND2 3.42Å
482	S	45	Very low	43.4	Very low	73 Å²	73	105.6 Å²	105.6	51%	0.51	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-37.2	176.1	81.6	0	0	0	0	112.6	E478 Q479 N485 S486	E478-S482 WeakPolarHBondContact O-CB 3.5Å; E478-S482 PolarHBondContact O-N 3.41Å; Q479-S482 PolarHBondContact O-N 3.09Å; Q479-S482 PolarHBondContact O-OG 3.01Å; S482-N485 PolarHBondContact O-N 2.98Å; S482-S486 PolarHBondContact O-N 3.33Å
483	K	42.6	Very low	45.2	Very low	141 Å²	141	98.5 Å²	98.5	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-75.6	-43.6	-179.8	-162.4	174.3	-176.8	-179	0	112.1	Q479 D480 L481 N485 S486 D487	Q479-K483 WeakPolarHBondContact O-CB 3.4Å; Q479-K483 PolarHBondContact O-N 3.25Å; D480-K483 PolarHBondContact O-N 3.01Å; L481-K483 VanDerWaalsContact C-N 3.34Å; K483-N485 PolarHBondContact O-N 3.15Å; K483-S486 PolarHBondContact O-N 3.42Å; K483-S486 PolarHBondContact O-OG 2.95Å; K483-D487 PolarHBondContact O-N 3.1Å
484	F	43.1	Very low	47.1	Very low	133 Å²	133	96.2 Å²	96.2	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-63.2	-33.3	171	-165.1	-98.4	0	0	0	111.8	D480 H488	D480-F484 WeakPolarHBondContact O-CB 3.4Å; D480-F484 PolarHBondContact O-N 3.45Å; F484-H488 AromaticContact CD1-CD2 3.76Å; F484-H488 AromaticContact CD1-NE2 3.91Å; F484-H488 AromaticContact CE1-CD2 3.49Å; F484-H488 VanDerWaalsContact CE1-CD2 3.49Å; F484-H488 WeakPolarHBondContact CE1-CD2 3.43Å; F484-H488 AromaticContact CE1-NE2 3.2Å; F484-H488 WeakPolarHBondContact CE1-NE2 3.2Å; F484-H488 AromaticContact CZ-NE2 3.27Å; F484-H488 VanDerWaalsContact CZ-NE2 3.27Å; F484-H488 WeakPolarHBondContact CZ-NE2 3.43Å; F484-H488 PolarHBondContact O-CD2 3.35Å; F484-H488 VanDerWaalsContact O-CD2 3.31Å
485	N	47.2	Very low	49.5	Very low	62 Å²	62	94 Å²	94	33%	0.332	49%	0.489	S	S	.	.	H	α-helix	trans	-76	-27.9	176.9	-77.3	-37	0	0	0	114.1	L481 S482 K483 Q489	L481-N485 WeakPolarHBondContact O-CB 3.19Å; L481-N485 PolarHBondContact O-N 3.49Å; L481-N485 PolarHBondContact O-ND2 3.42Å; S482-N485 PolarHBondContact O-N 2.98Å; K483-N485 PolarHBondContact O-N 3.15Å; N485-Q489 VanDerWaalsContact O-CD 3.3Å; N485-Q489 WeakPolarHBondContact O-CG 3.31Å; N485-Q489 PolarHBondContact O-N 2.93Å; N485-Q489 PolarHBondContact O-NE2 2.95Å
486	S	45.9	Very low	51.9	Low	56 Å²	56	90.4 Å²	90.4	39%	0.392	47%	0.465	S	S	.	.	H	α-helix	trans	-70.3	-37.8	174.6	56.9	0	0	0	0	111.8	S482 K483 H488 Q489 C490	S482-S486 PolarHBondContact O-N 3.33Å; K483-S486 PolarHBondContact O-N 3.42Å; K483-S486 PolarHBondContact O-OG 2.95Å; S486-H488 PolarHBondContact O-N 2.88Å; S486-Q489 PolarHBondContact O-N 3.33Å; S486-C490 PolarHBondContact O-N 3.41Å
487	D	46	Very low	54.4	Low	113 Å²	113	90.5 Å²	90.5	60%	0.604	46%	0.461	S	S	*	.	H	α-helix	trans	-68.9	-38.4	-176.1	-67.6	-11.4	0	0	0	111.8	K483	K483-D487 PolarHBondContact O-N 3.1Å
488	H	48.5	Very low	56.8	Low	105 Å²	105	91.1 Å²	91.1	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-73.9	-23.7	174.3	-72.9	-50.6	0	0	0	114.3	F484 S486 C490	F484-H488 AromaticContact CD1-CD2 3.76Å; F484-H488 AromaticContact CD1-NE2 3.91Å; F484-H488 AromaticContact CE1-CD2 3.49Å; F484-H488 VanDerWaalsContact CE1-CD2 3.49Å; F484-H488 WeakPolarHBondContact CE1-CD2 3.43Å; F484-H488 AromaticContact CE1-NE2 3.2Å; F484-H488 WeakPolarHBondContact CE1-NE2 3.2Å; F484-H488 AromaticContact CZ-NE2 3.27Å; F484-H488 VanDerWaalsContact CZ-NE2 3.27Å; F484-H488 WeakPolarHBondContact CZ-NE2 3.43Å; F484-H488 PolarHBondContact O-CD2 3.35Å; F484-H488 VanDerWaalsContact O-CD2 3.31Å; S486-H488 PolarHBondContact O-N 2.88Å; H488-C490 VanDerWaalsContact C-N 3.35Å
489	Q	48.4	Very low	59.1	Low	102 Å²	102	89.2 Å²	89.2	48%	0.477	45%	0.452	S	S	.	.	H	α-helix	trans	-72.2	-27.7	179.4	-81.5	171.5	55.7	0	0	113.1	N485 S486	N485-Q489 VanDerWaalsContact O-CD 3.3Å; N485-Q489 WeakPolarHBondContact O-CG 3.31Å; N485-Q489 PolarHBondContact O-N 2.93Å; N485-Q489 PolarHBondContact O-NE2 2.95Å; S486-Q489 PolarHBondContact O-N 3.33Å
490	C	51.3	Low	61.6	Low	76 Å²	76	82.6 Å²	82.6	51%	0.514	42%	0.421	S	S	.	.	H	α-helix	trans	-73.1	-45.4	174.2	-110.9	0	0	0	0	111.6	S486 H488 R492 S493 H494	S486-C490 PolarHBondContact O-N 3.41Å; H488-C490 VanDerWaalsContact C-N 3.35Å; C490-R492 VanDerWaalsContact C-N 3.27Å; C490-R492 PolarHBondContact O-N 3.08Å; C490-S493 PolarHBondContact O-N 3.37Å; C490-H494 VanDerWaalsContact C-CD2 3.44Å; C490-H494 PolarHBondContact O-CD2 3.16Å
491	H	57.1	Low	63.9	Low	127 Å²	127	80.7 Å²	80.7	59%	0.588	41%	0.411	S	S	*	.	H	α-helix	trans	-55.6	-32.3	-166.2	-163.9	-83.6	0	0	0	115.2	S493 H494	H491-S493 PolarHBondContact O-N 3.37Å; H491-H494 PolarHBondContact O-N 2.81Å
492	R	61.6	Low	66.1	Low	74 Å²	74	80.4 Å²	80.4	28%	0.279	41%	0.407	S	S	.	.	H	α-helix	trans	-72.1	-28.3	-175.6	-67.3	-171.9	-171.7	-179.8	9.4	114.7	C490 T495 I614 S619	C490-R492 VanDerWaalsContact C-N 3.27Å; C490-R492 PolarHBondContact O-N 3.08Å; R492-T495 PolarHBondContact O-OG1 3.33Å; R492-I614 VanDerWaalsContact NH1-CA 3.29Å; R492-I614 PolarHBondContact NH1-O 3.06Å; R492-S619 WeakPolarHBondContact O-CB 3.2Å
493	S	70.2	Confident	68.3	Low	18 Å²	18	79 Å²	79	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-79.9	-31.4	178.1	-153.5	0	0	0	0	111.2	C490 H491 T495 L497 W684	C490-S493 PolarHBondContact O-N 3.37Å; H491-S493 PolarHBondContact O-N 3.37Å; S493-T495 PolarHBondContact O-N 3.05Å; S493-L497 WeakPolarHBondContact O-CB 3.18Å; S493-L497 PolarHBondContact O-N 3.46Å; S493-L497 VanDerWaalsContact O-N 3.09Å; S493-W684 PolarHBondContact OG-NE1 2.73Å
494	H	77.9	Confident	70.6	Confident	99 Å²	99	73.8 Å²	73.8	46%	0.458	37%	0.373	S	S	.	.	H	α-helix	trans	-67.3	-32.7	-174.7	-70	-74.6	0	0	0	113.5	C490 H491 L497 F498	C490-H494 VanDerWaalsContact C-CD2 3.44Å; C490-H494 PolarHBondContact O-CD2 3.16Å; H491-H494 PolarHBondContact O-N 2.81Å; H494-L497 PolarHBondContact O-N 3.2Å; H494-F498 WeakPolarHBondContact O-CB 3.31Å; H494-F498 PolarHBondContact O-N 3.21Å
495	T	82.2	Confident	73	Confident	64 Å²	64	71.3 Å²	71.3	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-48.2	-179.6	55.5	0	0	0	0	112	R492 S493 F498 L499	R492-T495 PolarHBondContact O-OG1 3.33Å; S493-T495 PolarHBondContact O-N 3.05Å; T495-F498 PolarHBondContact O-N 3.1Å; T495-L499 WeakPolarHBondContact O-CG 3.44Å; T495-L499 PolarHBondContact O-N 3.05Å; T495-L499 VanDerWaalsContact O-N 3.11Å
496	G	83.7	Confident	75.1	Confident	3 Å²	3	69.8 Å²	69.8	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-38.9	174.4	0	0	0	0	0	112.5	G500 S619	G496-G500 PolarHBondContact O-N 3.38Å; G496-S619 WeakPolarHBondContact CA-O 3.37Å
497	L	86	Confident	77.1	Confident	61 Å²	61	67.3 Å²	67.3	32%	0.319	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-49.7	175.2	-169	92.5	0	0	0	111.5	S493 H494 G500 I501 V622 I626	S493-L497 WeakPolarHBondContact O-CB 3.18Å; S493-L497 PolarHBondContact O-N 3.46Å; S493-L497 VanDerWaalsContact O-N 3.09Å; H494-L497 PolarHBondContact O-N 3.2Å; L497-G500 PolarHBondContact O-N 3.49Å; L497-I501 HydrophobicContact CD2-CD1 3.97Å; L497-I501 HydrophobicContact CG-CD1 3.81Å; L497-I501 VanDerWaalsContact O-CG1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.5Å; L497-I501 PolarHBondContact O-N 3.23Å; L497-V622 HydrophobicContact CB-CG1 3.9Å; L497-V622 HydrophobicContact CD1-CG1 3.88Å; L497-I626 HydrophobicContact CB-CD1 4.46Å; L497-I626 HydrophobicContact CD1-CD1 3.93Å; L497-I626 HydrophobicContact CG-CD1 4.17Å; L497-I626 VanDerWaalsContact O-CD1 3.29Å; L497-I626 WeakPolarHBondContact O-CD1 3.48Å
498	F	89.1	Confident	79.3	Confident	127 Å²	127	65.1 Å²	65.1	56%	0.557	33%	0.334	S	S	*	.	H	α-helix	trans	-64.1	-50	-176.8	-178.4	-96.2	0	0	0	111.6	H494 T495 G500 I501 M502	H494-F498 WeakPolarHBondContact O-CB 3.31Å; H494-F498 PolarHBondContact O-N 3.21Å; T495-F498 PolarHBondContact O-N 3.1Å; F498-G500 VanDerWaalsContact C-N 3.26Å; F498-G500 PolarHBondContact O-N 3.36Å; F498-I501 PolarHBondContact O-N 2.86Å; F498-M502 HydrophobicContact CD1-CG 4.29Å; F498-M502 HydrophobicContact CE1-CG 3.94Å; F498-M502 HydrophobicContact CE2-CE 4.01Å; F498-M502 HydrophobicContact CZ-CE 4.16Å; F498-M502 HydrophobicContact CZ-CG 4.12Å; F498-M502 HydrophobicContact CZ-SD 4.25Å; F498-M502 WeakPolarHBondContact O-CG 3.39Å; F498-M502 PolarHBondContact O-N 3.39Å
499	L	90.2	Very high	81.3	Confident	97 Å²	97	64.7 Å²	64.7	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-39.5	175.7	-72.6	171.6	0	0	0	111.6	T495 L503 F623	T495-L499 WeakPolarHBondContact O-CG 3.44Å; T495-L499 PolarHBondContact O-N 3.05Å; T495-L499 VanDerWaalsContact O-N 3.11Å; L499-L503 WeakPolarHBondContact O-CG 3.23Å; L499-L503 PolarHBondContact O-N 3.31Å; L499-L503 VanDerWaalsContact O-N 3.16Å; L499-F623 HydrophobicContact CB-CD2 3.81Å; L499-F623 HydrophobicContact CB-CE2 3.78Å
500	G	89.2	Confident	83.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-46.9	175.2	0	0	0	0	0	112.5	G496 L497 F498 M502 L503 L504 I626	G496-G500 PolarHBondContact O-N 3.38Å; L497-G500 PolarHBondContact O-N 3.49Å; F498-G500 VanDerWaalsContact C-N 3.26Å; F498-G500 PolarHBondContact O-N 3.36Å; G500-M502 VanDerWaalsContact C-N 3.35Å; G500-M502 PolarHBondContact O-N 3.46Å; G500-L503 PolarHBondContact O-N 2.96Å; G500-L504 WeakPolarHBondContact O-CB 3.29Å; G500-L504 PolarHBondContact O-N 3.25Å; G500-I626 WeakPolarHBondContact O-CG2 3.44Å
501	I	91	Very high	84.8	Confident	65 Å²	65	59.3 Å²	59.3	33%	0.333	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-41.4	178.7	-70	166.2	0	0	0	110.8	L497 F498 L503 L504 I505 I626	L497-I501 HydrophobicContact CD2-CD1 3.97Å; L497-I501 HydrophobicContact CG-CD1 3.81Å; L497-I501 VanDerWaalsContact O-CG1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.5Å; L497-I501 PolarHBondContact O-N 3.23Å; F498-I501 PolarHBondContact O-N 2.86Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 2.87Å; I501-L504 WeakPolarHBondContact O-CB 3.41Å; I501-L504 PolarHBondContact O-N 3Å; I501-I505 HydrophobicContact CG2-CD1 3.76Å; I501-I505 HydrophobicContact CG2-CG1 4.28Å; I501-I505 VanDerWaalsContact O-CG1 3.32Å; I501-I505 WeakPolarHBondContact O-CG1 3.44Å; I501-I505 PolarHBondContact O-N 3.44Å; I501-I626 HydrophobicContact CG1-CD1 4.18Å
502	M	91.5	Very high	86.2	Confident	92 Å²	92	56.4 Å²	56.4	45%	0.453	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-43.5	175.7	-69.8	-62.1	112.3	0	0	111.7	F498 G500 I505 G506	F498-M502 HydrophobicContact CD1-CG 4.29Å; F498-M502 HydrophobicContact CE1-CG 3.94Å; F498-M502 HydrophobicContact CE2-CE 4.01Å; F498-M502 HydrophobicContact CZ-CE 4.16Å; F498-M502 HydrophobicContact CZ-CG 4.12Å; F498-M502 HydrophobicContact CZ-SD 4.25Å; F498-M502 WeakPolarHBondContact O-CG 3.39Å; F498-M502 PolarHBondContact O-N 3.39Å; G500-M502 VanDerWaalsContact C-N 3.35Å; G500-M502 PolarHBondContact O-N 3.46Å; M502-I505 HydrophobicContact CE-CD1 4.03Å; M502-I505 PolarHBondContact O-N 3.29Å; M502-G506 PolarHBondContact O-N 3.39Å
503	L	91.3	Very high	87.3	Confident	45 Å²	45	56.2 Å²	56.2	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-38.7	174.3	-72.6	173.3	0	0	0	112.7	L499 G500 I501 G506 S507 I540 F623	L499-L503 WeakPolarHBondContact O-CG 3.23Å; L499-L503 PolarHBondContact O-N 3.31Å; L499-L503 VanDerWaalsContact O-N 3.16Å; G500-L503 PolarHBondContact O-N 2.96Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 2.87Å; L503-G506 PolarHBondContact O-N 3.45Å; L503-S507 WeakPolarHBondContact O-CB 3.33Å; L503-S507 PolarHBondContact O-N 2.99Å; L503-I540 HydrophobicContact CD1-CG2 3.88Å; L503-I540 HydrophobicContact CD2-CD1 3.93Å; L503-F623 HydrophobicContact CD1-CE2 3.44Å; L503-F623 VanDerWaalsContact CD1-CE2 3.44Å; L503-F623 HydrophobicContact CD1-CZ 3.38Å
504	L	90.6	Very high	87.9	Confident	31 Å²	31	55.6 Å²	55.6	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175.8	-176.7	68.6	0	0	0	110.8	G500 I501 G506 S507 I508 I626 A630 L633	G500-L504 WeakPolarHBondContact O-CB 3.29Å; G500-L504 PolarHBondContact O-N 3.25Å; I501-L504 WeakPolarHBondContact O-CB 3.41Å; I501-L504 PolarHBondContact O-N 3Å; L504-G506 VanDerWaalsContact C-N 3.34Å; L504-G506 PolarHBondContact O-N 3.45Å; L504-S507 PolarHBondContact O-N 3.12Å; L504-S507 PolarHBondContact O-OG 3.23Å; L504-I508 HydrophobicContact CG-CD1 4.09Å; L504-I508 WeakPolarHBondContact O-CG1 3.35Å; L504-I508 PolarHBondContact O-N 3.45Å; L504-I626 HydrophobicContact CB-CG2 3.86Å; L504-I626 HydrophobicContact CD2-CG2 4.21Å; L504-I626 HydrophobicContact CG-CG2 4.48Å; L504-A630 HydrophobicContact CD1-CB 3.76Å; L504-L633 HydrophobicContact CD1-CD1 3.8Å
505	I	93.1	Very high	88	Confident	80 Å²	80	53.5 Å²	53.5	41%	0.41	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-46.6	176.3	-66.8	166.7	0	0	0	110.3	I501 M502 S507 I508 I509	I501-I505 HydrophobicContact CG2-CD1 3.76Å; I501-I505 HydrophobicContact CG2-CG1 4.28Å; I501-I505 VanDerWaalsContact O-CG1 3.32Å; I501-I505 WeakPolarHBondContact O-CG1 3.44Å; I501-I505 PolarHBondContact O-N 3.44Å; M502-I505 HydrophobicContact CE-CD1 4.03Å; M502-I505 PolarHBondContact O-N 3.29Å; I505-S507 VanDerWaalsContact C-N 3.3Å; I505-S507 PolarHBondContact O-N 3.07Å; I505-I508 PolarHBondContact O-N 3.49Å; I505-I509 HydrophobicContact CG2-CD1 3.92Å; I505-I509 WeakPolarHBondContact O-CG1 3.34Å; I505-I509 PolarHBondContact O-N 2.94Å
506	G	91.6	Very high	88.1	Confident	30 Å²	30	54.5 Å²	54.5	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-57.4	-41.2	175.5	0	0	0	0	0	113.1	M502 L503 L504 I509 C510	M502-G506 PolarHBondContact O-N 3.39Å; L503-G506 PolarHBondContact O-N 3.45Å; L504-G506 VanDerWaalsContact C-N 3.34Å; L504-G506 PolarHBondContact O-N 3.45Å; G506-I509 PolarHBondContact O-N 2.84Å; G506-C510 PolarHBondContact O-N 3.23Å; G506-C510 PolarHBondContact O-SG 2.84Å
507	S	89.4	Confident	88	Confident	5 Å²	5	56.9 Å²	56.9	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-39.4	176.5	75	0	0	0	0	112.7	L503 L504 I505 C510 M511 A630	L503-S507 WeakPolarHBondContact O-CB 3.33Å; L503-S507 PolarHBondContact O-N 2.99Å; L504-S507 PolarHBondContact O-N 3.12Å; L504-S507 PolarHBondContact O-OG 3.23Å; I505-S507 VanDerWaalsContact C-N 3.3Å; I505-S507 PolarHBondContact O-N 3.07Å; S507-C510 PolarHBondContact O-N 3.02Å; S507-M511 WeakPolarHBondContact O-CB 3.21Å; S507-M511 PolarHBondContact O-N 3.29Å; S507-A630 WeakPolarHBondContact OG-CB 3.35Å
508	I	90.3	Very high	87.3	Confident	66 Å²	66	55.4 Å²	55.4	34%	0.338	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-41.1	176.6	-67.4	165.6	0	0	0	110.2	L504 I505 M511 V512 L633	L504-I508 HydrophobicContact CG-CD1 4.09Å; L504-I508 WeakPolarHBondContact O-CG1 3.35Å; L504-I508 PolarHBondContact O-N 3.45Å; I505-I508 PolarHBondContact O-N 3.49Å; I508-M511 WeakPolarHBondContact O-CB 3.39Å; I508-M511 PolarHBondContact O-N 3.29Å; I508-V512 HydrophobicContact CG2-CG2 4.49Å; I508-V512 WeakPolarHBondContact O-CG2 3.4Å; I508-V512 PolarHBondContact O-N 3.43Å; I508-L633 HydrophobicContact CG1-CD1 4.41Å
509	I	91	Very high	86.5	Confident	97 Å²	97	58.3 Å²	58.3	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.5	-66.3	165.2	0	0	0	110.3	I505 G506 M511 V512 L513	I505-I509 HydrophobicContact CG2-CD1 3.92Å; I505-I509 WeakPolarHBondContact O-CG1 3.34Å; I505-I509 PolarHBondContact O-N 2.94Å; G506-I509 PolarHBondContact O-N 2.84Å; I509-M511 VanDerWaalsContact C-N 3.29Å; I509-M511 PolarHBondContact O-N 2.9Å; I509-V512 PolarHBondContact O-N 3.38Å; I509-L513 HydrophobicContact CG2-CD1 4.12Å; I509-L513 HydrophobicContact CG2-CG 4.49Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.32Å; I509-L513 PolarHBondContact O-N 2.87Å
510	C	88	Confident	85.3	Confident	37 Å²	37	59.4 Å²	59.4	25%	0.25	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-41.5	175.9	-64.9	0	0	0	0	111.7	G506 S507 L513 F514 I529	G506-C510 PolarHBondContact O-N 3.23Å; G506-C510 PolarHBondContact O-SG 2.84Å; S507-C510 PolarHBondContact O-N 3.02Å; C510-L513 PolarHBondContact O-N 2.96Å; C510-F514 WeakPolarHBondContact O-CB 3.45Å; C510-F514 PolarHBondContact O-N 3.12Å; C510-I529 HydrophobicContact CB-CG2 4.36Å
511	M	84.8	Confident	84.1	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-46	176.5	-174.9	-164.9	79.5	0	0	112.7	S507 I508 I509 L513 F514 L515 F637 E638	S507-M511 WeakPolarHBondContact O-CB 3.21Å; S507-M511 PolarHBondContact O-N 3.29Å; I508-M511 WeakPolarHBondContact O-CB 3.39Å; I508-M511 PolarHBondContact O-N 3.29Å; I509-M511 VanDerWaalsContact C-N 3.29Å; I509-M511 PolarHBondContact O-N 2.9Å; M511-L513 VanDerWaalsContact C-N 3.34Å; M511-L513 PolarHBondContact O-N 2.93Å; M511-F514 WeakPolarHBondContact O-CB 3.46Å; M511-F514 PolarHBondContact O-N 3.29Å; M511-L515 HydrophobicContact CE-CD1 4.49Å; M511-L515 HydrophobicContact CG-CD1 4.44Å; M511-L515 VanDerWaalsContact O-CG 3.31Å; M511-L515 WeakPolarHBondContact O-CG 3.27Å; M511-L515 PolarHBondContact O-N 3.23Å; M511-F637 HydrophobicContact CG-CB 4.17Å; M511-F637 HydrophobicContact SD-CB 3.73Å; M511-F637 HydrophobicContact SD-CD2 3.53Å; M511-F637 VanDerWaalsContact SD-CD2 3.53Å; M511-F637 HydrophobicContact SD-CE2 4.44Å; M511-F637 HydrophobicContact SD-CG 3.86Å; M511-E638 WeakPolarHBondContact CA-OE1 3.04Å; M511-E638 HydrophobicContact CG-CG 4.03Å
512	V	86.5	Confident	83.2	Confident	67 Å²	67	66 Å²	66	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.1	172.6	0	0	0	0	110.5	I508 I509 F514 L515 I516	I508-V512 HydrophobicContact CG2-CG2 4.49Å; I508-V512 WeakPolarHBondContact O-CG2 3.4Å; I508-V512 PolarHBondContact O-N 3.43Å; I509-V512 PolarHBondContact O-N 3.38Å; V512-F514 VanDerWaalsContact C-N 3.33Å; V512-F514 PolarHBondContact O-N 3.31Å; V512-L515 PolarHBondContact O-N 3.45Å; V512-I516 HydrophobicContact CG1-CD1 3.74Å; V512-I516 HydrophobicContact CG1-CG1 4.43Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.27Å; V512-I516 PolarHBondContact O-N 3.5Å
513	L	86	Confident	82.1	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.366	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-41.4	175.8	-69.7	173.6	0	0	0	111.9	I509 C510 M511 I516 H517 I529	I509-L513 HydrophobicContact CG2-CD1 4.12Å; I509-L513 HydrophobicContact CG2-CG 4.49Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.32Å; I509-L513 PolarHBondContact O-N 2.87Å; C510-L513 PolarHBondContact O-N 2.96Å; M511-L513 VanDerWaalsContact C-N 3.34Å; M511-L513 PolarHBondContact O-N 2.93Å; L513-I516 PolarHBondContact O-N 2.93Å; L513-H517 WeakPolarHBondContact O-CB 3.47Å; L513-H517 PolarHBondContact O-N 3.2Å; L513-H517 PolarHBondContact O-ND1 3.35Å; L513-I529 HydrophobicContact CB-CD1 4.47Å
514	F	83	Confident	81.2	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.018	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-47.5	174.5	174.3	-96.6	0	0	0	111.7	C510 M511 V512 I516 H517 G518 A526 Y530 E638 S641 A642	C510-F514 WeakPolarHBondContact O-CB 3.45Å; C510-F514 PolarHBondContact O-N 3.12Å; M511-F514 WeakPolarHBondContact O-CB 3.46Å; M511-F514 PolarHBondContact O-N 3.29Å; V512-F514 VanDerWaalsContact C-N 3.33Å; V512-F514 PolarHBondContact O-N 3.31Å; F514-I516 PolarHBondContact O-N 3.09Å; F514-H517 PolarHBondContact O-N 2.86Å; F514-G518 WeakPolarHBondContact O-CA 3.48Å; F514-G518 PolarHBondContact O-N 3.16Å; F514-A526 HydrophobicContact CD2-CB 3.82Å; F514-A526 VanDerWaalsContact CD2-O 3.22Å; F514-A526 WeakPolarHBondContact CD2-O 3.2Å; F514-A526 HydrophobicContact CE2-CB 3.94Å; F514-Y530 HydrophobicContact CE2-CG 4.45Å; F514-E638 VanDerWaalsContact CB-OE1 3.28Å; F514-E638 WeakPolarHBondContact CB-OE1 3.38Å; F514-E638 HydrophobicContact CD1-CB 4.08Å; F514-E638 HydrophobicContact CD1-CG 3.78Å; F514-E638 HydrophobicContact CE1-CB 3.97Å; F514-E638 HydrophobicContact CE1-CG 4.18Å; F514-E638 HydrophobicContact CG-CG 4.19Å; F514-E638 HydrophobicContact CZ-CB 4.38Å; F514-S641 VanDerWaalsContact CE1-CB 3.49Å; F514-A642 HydrophobicContact CZ-CB 4.49Å
515	L	80.4	Confident	80.6	Confident	56 Å²	56	75.3 Å²	75.3	29%	0.293	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-40	179.4	-68.8	172.9	0	0	0	112.2	F346 M511 V512 R519	F346-L515 HydrophobicContact CE1-CD2 4.06Å; M511-L515 HydrophobicContact CE-CD1 4.49Å; M511-L515 HydrophobicContact CG-CD1 4.44Å; M511-L515 VanDerWaalsContact O-CG 3.31Å; M511-L515 WeakPolarHBondContact O-CG 3.27Å; M511-L515 PolarHBondContact O-N 3.23Å; V512-L515 PolarHBondContact O-N 3.45Å; L515-R519 WeakPolarHBondContact O-CG 3.42Å
516	I	82.7	Confident	79.8	Confident	85 Å²	85	71.5 Å²	71.5	44%	0.436	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-51.7	177.7	-66.7	165.6	0	0	0	110.8	V512 L513 F514 G518 R519 N520	V512-I516 HydrophobicContact CG1-CD1 3.74Å; V512-I516 HydrophobicContact CG1-CG1 4.43Å; V512-I516 VanDerWaalsContact O-CG1 3.27Å; V512-I516 WeakPolarHBondContact O-CG1 3.27Å; V512-I516 PolarHBondContact O-N 3.5Å; L513-I516 PolarHBondContact O-N 2.93Å; F514-I516 PolarHBondContact O-N 3.09Å; I516-G518 VanDerWaalsContact C-N 3.33Å; I516-G518 PolarHBondContact O-N 3.46Å; I516-R519 PolarHBondContact O-N 3.38Å; I516-N520 PolarHBondContact O-N 3.03Å
517	H	81.5	Confident	78.9	Confident	53 Å²	53	71 Å²	71	25%	0.245	36%	0.359	C	S	.	.	H	α-helix	trans	-70.8	-30.1	-177.5	-70	90.1	0	0	0	112.7	L513 F514 R519 N520 A526	L513-H517 WeakPolarHBondContact O-CB 3.47Å; L513-H517 PolarHBondContact O-N 3.2Å; L513-H517 PolarHBondContact O-ND1 3.35Å; F514-H517 PolarHBondContact O-N 2.86Å; H517-R519 PolarHBondContact O-N 3.02Å; H517-N520 PolarHBondContact O-N 3.41Å; H517-N520 VanDerWaalsContact O-N 3.15Å; H517-A526 HydrophobicContact CB-CB 4.15Å
518	G	71.9	Confident	78.3	Confident	29 Å²	29	77.6 Å²	77.6	30%	0.299	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-29.6	173.2	0	0	0	0	0	113	F514 I516	F514-G518 WeakPolarHBondContact O-CA 3.48Å; F514-G518 PolarHBondContact O-N 3.16Å; I516-G518 VanDerWaalsContact C-N 3.33Å; I516-G518 PolarHBondContact O-N 3.46Å
519	R	72.5	Confident	77.9	Confident	188 Å²	188	76 Å²	76	71%	0.709	38%	0.375	S	S	*	.	H	α-helix	trans	-78	-36.7	174.3	-65.9	176.4	72	93.9	0.2	112.7	L515 I516 H517 K521	L515-R519 WeakPolarHBondContact O-CG 3.42Å; I516-R519 PolarHBondContact O-N 3.38Å; H517-R519 PolarHBondContact O-N 3.02Å; R519-K521 VanDerWaalsContact C-N 3.35Å; R519-K521 PolarHBondContact O-N 3.23Å; R519-K521 VanDerWaalsContact O-N 3.12Å
520	N	65.7	Low	77.3	Confident	121 Å²	121	72 Å²	72	65%	0.647	35%	0.354	S	S	*	.	S	Bend	trans	-87.7	38.8	-167.5	-81.3	-4.9	0	0	0	116	I516 H517 S522	I516-N520 PolarHBondContact O-N 3.03Å; H517-N520 PolarHBondContact O-N 3.41Å; H517-N520 VanDerWaalsContact O-N 3.15Å; N520-S522 PolarHBondContact O-N 2.6Å
521	K	63.1	Low	76.8	Confident	151 Å²	151	74.8 Å²	74.8	66%	0.657	36%	0.363	S	S	*	.	S	Bend	trans	57.3	-14.5	-177.7	-70.6	-178	178.9	174.9	0	116.5	R519 K523	R519-K521 VanDerWaalsContact C-N 3.35Å; R519-K521 PolarHBondContact O-N 3.23Å; R519-K521 VanDerWaalsContact O-N 3.12Å; K521-K523 PolarHBondContact O-N 3.24Å
522	S	71.5	Confident	76.6	Confident	51 Å²	51	76.2 Å²	76.2	36%	0.357	37%	0.372	S	S	.	.			trans	-79.6	60.9	175.4	-164.3	0	0	0	0	111.9	N520 Q524 L525 A526	N520-S522 PolarHBondContact O-N 2.6Å; S522-Q524 PolarHBondContact O-N 2.94Å; S522-L525 PolarHBondContact O-N 3.48Å; S522-L525 VanDerWaalsContact OG-CB 3.23Å; S522-L525 WeakPolarHBondContact OG-CB 3.39Å; S522-A526 PolarHBondContact O-N 3.34Å
523	K	68.2	Low	76.5	Confident	120 Å²	120	73.6 Å²	73.6	52%	0.522	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-31.5	-178.8	-66.2	-175.8	178.7	-179.3	0	112.4	K521 S527	K521-K523 PolarHBondContact O-N 3.24Å; K523-S527 PolarHBondContact O-N 3.45Å
524	Q	72.5	Confident	76.3	Confident	174 Å²	174	70.5 Å²	70.5	81%	0.813	34%	0.34	S	S	*	.	H	α-helix	trans	-65.7	-44.6	177.2	-70.1	-179.1	-8.3	0	0	111.9	S522 S527 Y528	S522-Q524 PolarHBondContact O-N 2.94Å; Q524-S527 PolarHBondContact O-N 3.48Å; Q524-Y528 WeakPolarHBondContact O-CB 3.33Å; Q524-Y528 PolarHBondContact O-N 2.92Å
525	L	79.2	Confident	76.3	Confident	71 Å²	71	74.2 Å²	74.2	37%	0.372	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-41.9	177.7	-177.6	60	0	0	0	111.3	S522 Y528 I529	S522-L525 PolarHBondContact O-N 3.48Å; S522-L525 VanDerWaalsContact OG-CB 3.23Å; S522-L525 WeakPolarHBondContact OG-CB 3.39Å; L525-Y528 PolarHBondContact O-N 3.17Å; L525-I529 HydrophobicContact CD1-CD1 4.31Å; L525-I529 HydrophobicContact CD1-CG1 4.4Å; L525-I529 HydrophobicContact CG-CD1 4.02Å; L525-I529 VanDerWaalsContact O-CG1 3.31Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.73Å
526	A	75.7	Confident	76.6	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-50.8	174.7	0	0	0	0	0	111.2	F514 H517 S522 Y528 I529 Y530	F514-A526 HydrophobicContact CD2-CB 3.82Å; F514-A526 VanDerWaalsContact CD2-O 3.22Å; F514-A526 WeakPolarHBondContact CD2-O 3.2Å; F514-A526 HydrophobicContact CE2-CB 3.94Å; H517-A526 HydrophobicContact CB-CB 4.15Å; S522-A526 PolarHBondContact O-N 3.34Å; A526-Y528 VanDerWaalsContact C-N 3.27Å; A526-Y528 PolarHBondContact O-N 3.08Å; A526-I529 PolarHBondContact O-N 3.07Å; A526-Y530 WeakPolarHBondContact O-CB 3.48Å; A526-Y530 PolarHBondContact O-N 2.93Å
527	S	72.3	Confident	76.9	Confident	20 Å²	20	71.6 Å²	71.6	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-37.6	176.2	-176	0	0	0	0	112.5	K523 Q524 Q531	K523-S527 PolarHBondContact O-N 3.45Å; Q524-S527 PolarHBondContact O-N 3.48Å; S527-Q531 WeakPolarHBondContact O-CB 3.35Å; S527-Q531 VanDerWaalsContact O-CG 3.27Å; S527-Q531 WeakPolarHBondContact O-CG 3.43Å; S527-Q531 PolarHBondContact O-N 3.09Å; S527-Q531 PolarHBondContact OG-NE2 2.94Å
528	Y	77.3	Confident	77.1	Confident	143 Å²	143	69.1 Å²	69.1	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-66.9	-44.8	177.3	-179.6	-97.2	0	0	0	112.4	Q524 L525 A526 Y530 Q531 N532	Q524-Y528 WeakPolarHBondContact O-CB 3.33Å; Q524-Y528 PolarHBondContact O-N 2.92Å; L525-Y528 PolarHBondContact O-N 3.17Å; A526-Y528 VanDerWaalsContact C-N 3.27Å; A526-Y528 PolarHBondContact O-N 3.08Å; Y528-Y530 VanDerWaalsContact C-N 3.33Å; Y528-Y530 PolarHBondContact O-N 2.54Å; Y528-Q531 PolarHBondContact O-N 2.75Å; Y528-N532 WeakPolarHBondContact CD1-ND2 3.4Å; Y528-N532 WeakPolarHBondContact CD2-ND2 3.45Å; Y528-N532 WeakPolarHBondContact CE1-ND2 3.45Å; Y528-N532 WeakPolarHBondContact CE2-ND2 3.48Å; Y528-N532 PolarHBondContact O-N 3.09Å; Y528-N532 VanDerWaalsContact O-N 3.09Å; Y528-N532 PolarHBondContact O-ND2 3.14Å
529	I	82.7	Confident	77.8	Confident	31 Å²	31	70.2 Å²	70.2	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-47.8	175.8	-69.1	166	0	0	0	109.9	C510 L513 L525 A526 N532 S533	C510-I529 HydrophobicContact CB-CG2 4.36Å; L513-I529 HydrophobicContact CB-CD1 4.47Å; L525-I529 HydrophobicContact CD1-CD1 4.31Å; L525-I529 HydrophobicContact CD1-CG1 4.4Å; L525-I529 HydrophobicContact CG-CD1 4.02Å; L525-I529 VanDerWaalsContact O-CG1 3.31Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.73Å; A526-I529 PolarHBondContact O-N 3.07Å; I529-N532 PolarHBondContact O-N 3.11Å; I529-S533 WeakPolarHBondContact O-CB 3.48Å; I529-S533 PolarHBondContact O-N 3.44Å; I529-S533 PolarHBondContact O-OG 3.2Å
530	Y	77.6	Confident	78.8	Confident	13 Å²	13	63.7 Å²	63.7	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-49.8	177.6	169.8	-103.2	0	0	0	113	F514 A526 Y528 N532 S533 K534 V634 E638 V639 A642	F514-Y530 HydrophobicContact CE2-CG 4.45Å; A526-Y530 WeakPolarHBondContact O-CB 3.48Å; A526-Y530 PolarHBondContact O-N 2.93Å; Y528-Y530 VanDerWaalsContact C-N 3.33Å; Y528-Y530 PolarHBondContact O-N 2.54Å; Y530-N532 VanDerWaalsContact C-N 3.35Å; Y530-N532 PolarHBondContact O-N 3.08Å; Y530-S533 PolarHBondContact O-OG 3.31Å; Y530-K534 HydrophobicContact CE1-CD 4.2Å; Y530-K534 HydrophobicContact CE2-CD 4.22Å; Y530-K534 WeakPolarHBondContact O-CB 3.16Å; Y530-K534 PolarHBondContact O-N 3.25Å; Y530-K534 PolarHBondContact OH-NZ 3.07Å; Y530-V634 HydrophobicContact CE2-CG1 3.96Å; Y530-E638 HydrophobicContact CD2-CB 3.36Å; Y530-E638 HydrophobicContact CD2-CG 4.14Å; Y530-E638 WeakPolarHBondContact CD2-OE2 3.44Å; Y530-E638 HydrophobicContact CE2-CB 3.43Å; Y530-E638 VanDerWaalsContact CE2-CB 3.43Å; Y530-E638 HydrophobicContact CE2-CG 4.48Å; Y530-E638 HydrophobicContact CG-CB 4.48Å; Y530-V639 HydrophobicContact CE2-CG2 4.47Å; Y530-V639 WeakPolarHBondContact OH-CG2 3.12Å; Y530-A642 HydrophobicContact CD1-CB 3.24Å; Y530-A642 HydrophobicContact CD2-CB 4.3Å; Y530-A642 HydrophobicContact CE1-CB 3.3Å; Y530-A642 HydrophobicContact CE2-CB 4.36Å; Y530-A642 HydrophobicContact CG-CB 3.77Å
531	Q	77.2	Confident	79.9	Confident	96 Å²	96	58 Å²	58	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-43.1	-177.9	-75.6	176.7	9.2	0	0	111.3	S527 Y528 L535	S527-Q531 WeakPolarHBondContact O-CB 3.35Å; S527-Q531 VanDerWaalsContact O-CG 3.27Å; S527-Q531 WeakPolarHBondContact O-CG 3.43Å; S527-Q531 PolarHBondContact O-N 3.09Å; S527-Q531 PolarHBondContact OG-NE2 2.94Å; Y528-Q531 PolarHBondContact O-N 2.75Å; Q531-L535 WeakPolarHBondContact O-CB 3.34Å; Q531-L535 PolarHBondContact O-N 2.97Å
532	N	81.4	Confident	81.2	Confident	57 Å²	57	52 Å²	52	31%	0.305	26%	0.262	S	S	.	.	H	α-helix	trans	-72.1	-41.1	-179.6	-74.8	-62.1	0	0	0	113.3	Y528 I529 Y530 K534 L535 T536	Y528-N532 WeakPolarHBondContact CD1-ND2 3.4Å; Y528-N532 WeakPolarHBondContact CD2-ND2 3.45Å; Y528-N532 WeakPolarHBondContact CE1-ND2 3.45Å; Y528-N532 WeakPolarHBondContact CE2-ND2 3.48Å; Y528-N532 PolarHBondContact O-N 3.09Å; Y528-N532 VanDerWaalsContact O-N 3.09Å; Y528-N532 PolarHBondContact O-ND2 3.14Å; I529-N532 PolarHBondContact O-N 3.11Å; Y530-N532 VanDerWaalsContact C-N 3.35Å; Y530-N532 PolarHBondContact O-N 3.08Å; N532-K534 VanDerWaalsContact C-N 3.32Å; N532-K534 PolarHBondContact O-N 3.39Å; N532-L535 PolarHBondContact O-N 3.27Å; N532-T536 WeakPolarHBondContact O-CB 2.98Å; N532-T536 PolarHBondContact O-N 2.98Å; N532-T536 PolarHBondContact O-OG1 3.08Å
533	S	85.2	Confident	82.1	Confident	13 Å²	13	54.6 Å²	54.6	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-45.4	177.1	68.7	0	0	0	0	110.2	I529 Y530 T536 L537	I529-S533 WeakPolarHBondContact O-CB 3.48Å; I529-S533 PolarHBondContact O-N 3.44Å; I529-S533 PolarHBondContact O-OG 3.2Å; Y530-S533 PolarHBondContact O-OG 3.31Å; S533-T536 PolarHBondContact O-N 3.5Å; S533-L537 WeakPolarHBondContact O-CG 3.36Å; S533-L537 PolarHBondContact O-N 3.12Å
534	K	81.6	Confident	83.2	Confident	4 Å²	4	49 Å²	49	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-42.9	178.6	-171.8	173.6	-172.1	134.3	0	113.1	Y530 N532 T536 L537 S538 E587 N635	Y530-K534 HydrophobicContact CE1-CD 4.2Å; Y530-K534 HydrophobicContact CE2-CD 4.22Å; Y530-K534 WeakPolarHBondContact O-CB 3.16Å; Y530-K534 PolarHBondContact O-N 3.25Å; Y530-K534 PolarHBondContact OH-NZ 3.07Å; N532-K534 VanDerWaalsContact C-N 3.32Å; N532-K534 PolarHBondContact O-N 3.39Å; K534-T536 VanDerWaalsContact C-N 3.33Å; K534-L537 PolarHBondContact O-N 2.69Å; K534-S538 WeakPolarHBondContact O-CB 3.23Å; K534-S538 PolarHBondContact O-N 3.49Å; K534-S538 PolarHBondContact O-OG 3.44Å; K534-E587 WeakPolarHBondContact CD-OE1 3.43Å; K534-E587 VanDerWaalsContact CE-CD 3.41Å; K534-E587 WeakPolarHBondContact CE-OE1 3.48Å; K534-E587 WeakPolarHBondContact CE-OE2 3.48Å; K534-E587 IonicContact NZ-OE2 2.67Å; K534-N635 PolarHBondContact NZ-OD1 3.21Å
535	L	81.9	Confident	83.9	Confident	83 Å²	83	40.7 Å²	40.7	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-47.9	175.6	-179.7	65.6	0	0	0	110.4	Q531 N532 S538 T539 L586	Q531-L535 WeakPolarHBondContact O-CB 3.34Å; Q531-L535 PolarHBondContact O-N 2.97Å; N532-L535 PolarHBondContact O-N 3.27Å; L535-S538 PolarHBondContact O-N 3.44Å; L535-T539 WeakPolarHBondContact O-CG2 3.25Å; L535-T539 PolarHBondContact O-N 3.15Å; L535-T539 PolarHBondContact O-OG1 3.19Å; L535-L586 HydrophobicContact CD1-CD2 3.53Å
536	T	86.8	Confident	84.4	Confident	73 Å²	73	40.8 Å²	40.8	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-44.9	-180	-54.9	0	0	0	0	112.2	N532 S533 K534 S538 T539 I540	N532-T536 WeakPolarHBondContact O-CB 2.98Å; N532-T536 PolarHBondContact O-N 2.98Å; N532-T536 PolarHBondContact O-OG1 3.08Å; S533-T536 PolarHBondContact O-N 3.5Å; K534-T536 VanDerWaalsContact C-N 3.33Å; T536-S538 VanDerWaalsContact C-N 3.29Å; T536-S538 PolarHBondContact O-N 2.78Å; T536-T539 PolarHBondContact O-OG1 3.46Å; T536-I540 HydrophobicContact CG2-CD1 3.9Å; T536-I540 WeakPolarHBondContact O-CB 3.43Å; T536-I540 VanDerWaalsContact O-CG1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 2.97Å; T536-I540 PolarHBondContact O-N 3.08Å; T536-I540 VanDerWaalsContact O-N 3.17Å
537	L	89.6	Confident	85	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-38.9	175.7	-75.5	165	0	0	0	111.6	S533 K534 S541 A630 L631 V634	S533-L537 WeakPolarHBondContact O-CG 3.36Å; S533-L537 PolarHBondContact O-N 3.12Å; K534-L537 PolarHBondContact O-N 2.69Å; L537-S541 VanDerWaalsContact O-CB 3.24Å; L537-S541 WeakPolarHBondContact O-CB 3.41Å; L537-S541 PolarHBondContact O-N 2.92Å; L537-A630 HydrophobicContact CD2-CB 4.24Å; L537-L631 HydrophobicContact CB-CD2 3.74Å; L537-L631 HydrophobicContact CB-CG 4.32Å; L537-L631 HydrophobicContact CD1-CD2 4.44Å; L537-V634 HydrophobicContact CD1-CG2 4.06Å
538	S	85.5	Confident	85.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-41.5	-178.9	-57.9	0	0	0	0	112.5	K534 L535 T536 S541 L542 Q590	K534-S538 WeakPolarHBondContact O-CB 3.23Å; K534-S538 PolarHBondContact O-N 3.49Å; K534-S538 PolarHBondContact O-OG 3.44Å; L535-S538 PolarHBondContact O-N 3.44Å; T536-S538 VanDerWaalsContact C-N 3.29Å; T536-S538 PolarHBondContact O-N 2.78Å; S538-S541 PolarHBondContact O-N 2.81Å; S538-L542 WeakPolarHBondContact O-CB 3.46Å; S538-L542 PolarHBondContact O-N 3.08Å; S538-Q590 WeakPolarHBondContact O-CG 3.3Å
539	T	87	Confident	86	Confident	52 Å²	52	39.2 Å²	39.2	32%	0.319	21%	0.206	S	C	.	.	H	α-helix	trans	-62.6	-46.8	175.7	52.2	0	0	0	0	111.4	L535 T536 S541 L542 L543 L586	L535-T539 WeakPolarHBondContact O-CG2 3.25Å; L535-T539 PolarHBondContact O-N 3.15Å; L535-T539 PolarHBondContact O-OG1 3.19Å; T536-T539 PolarHBondContact O-OG1 3.46Å; T539-S541 PolarHBondContact O-N 3.39Å; T539-L542 PolarHBondContact O-N 3.49Å; T539-L543 WeakPolarHBondContact O-CG 3.47Å; T539-L543 PolarHBondContact O-N 2.98Å; T539-L543 VanDerWaalsContact O-N 3.08Å; T539-L586 HydrophobicContact CG2-CD1 4.44Å; T539-L586 HydrophobicContact CG2-CD2 3.41Å; T539-L586 VanDerWaalsContact CG2-CD2 3.41Å
540	I	91.7	Very high	86.2	Confident	52 Å²	52	43 Å²	43	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-43.6	179.2	-67.1	171.3	0	0	0	110.7	L503 T536 L542 L543 A544 F623	L503-I540 HydrophobicContact CD1-CG2 3.88Å; L503-I540 HydrophobicContact CD2-CD1 3.93Å; T536-I540 HydrophobicContact CG2-CD1 3.9Å; T536-I540 WeakPolarHBondContact O-CB 3.43Å; T536-I540 VanDerWaalsContact O-CG1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 2.97Å; T536-I540 PolarHBondContact O-N 3.08Å; T536-I540 VanDerWaalsContact O-N 3.17Å; I540-L542 PolarHBondContact O-N 3.45Å; I540-L543 PolarHBondContact O-N 3.03Å; I540-A544 WeakPolarHBondContact O-CB 3.29Å; I540-A544 PolarHBondContact O-N 2.74Å; I540-F623 HydrophobicContact CG2-CE1 3.86Å; I540-F623 HydrophobicContact CG2-CZ 3.53Å
541	S	90.1	Very high	86.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-40.8	176.9	-175.1	0	0	0	0	112.3	L537 S538 T539 A544 C545 Q590	L537-S541 VanDerWaalsContact O-CB 3.24Å; L537-S541 WeakPolarHBondContact O-CB 3.41Å; L537-S541 PolarHBondContact O-N 2.92Å; S538-S541 PolarHBondContact O-N 2.81Å; T539-S541 PolarHBondContact O-N 3.39Å; S541-A544 PolarHBondContact O-N 2.92Å; S541-C545 PolarHBondContact O-N 3.08Å; S541-C545 PolarHBondContact O-SG 3.42Å; S541-Q590 PolarHBondContact OG-NE2 3.33Å
542	L	89.4	Confident	86.6	Confident	25 Å²	25	38.7 Å²	38.7	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-49.6	176.7	173.3	63	0	0	0	111.4	S538 T539 I540 A544 C545 I546 L586 Q590 I593	S538-L542 WeakPolarHBondContact O-CB 3.46Å; S538-L542 PolarHBondContact O-N 3.08Å; T539-L542 PolarHBondContact O-N 3.49Å; I540-L542 PolarHBondContact O-N 3.45Å; L542-A544 VanDerWaalsContact C-N 3.29Å; L542-A544 PolarHBondContact O-N 3.5Å; L542-C545 PolarHBondContact O-N 3.28Å; L542-C545 VanDerWaalsContact O-N 3.15Å; L542-I546 HydrophobicContact CD1-CD1 4.31Å; L542-I546 HydrophobicContact CG-CD1 4.33Å; L542-I546 WeakPolarHBondContact O-CG1 3.36Å; L542-I546 PolarHBondContact O-N 3.05Å; L542-L586 HydrophobicContact CD2-CD1 3.63Å; L542-Q590 HydrophobicContact CB-CB 4.14Å; L542-Q590 HydrophobicContact CB-CG 4.1Å; L542-I593 HydrophobicContact CD1-CB 4.32Å; L542-I593 HydrophobicContact CD1-CD1 3.42Å; L542-I593 VanDerWaalsContact CD1-CD1 3.42Å; L542-I593 HydrophobicContact CD1-CG1 4.42Å
543	L	91.3	Very high	86.5	Confident	107 Å²	107	39.8 Å²	39.8	56%	0.56	21%	0.212	S	C	*	.	H	α-helix	trans	-59.1	-42.2	176.8	-68.7	174	0	0	0	111.4	T539 I540 C545 I546 M547	T539-L543 WeakPolarHBondContact O-CG 3.47Å; T539-L543 PolarHBondContact O-N 2.98Å; T539-L543 VanDerWaalsContact O-N 3.08Å; I540-L543 PolarHBondContact O-N 3.03Å; L543-C545 PolarHBondContact O-N 3.28Å; L543-I546 PolarHBondContact O-N 3.01Å; L543-M547 WeakPolarHBondContact O-CG 3.4Å; L543-M547 PolarHBondContact O-N 2.87Å
544	A	91.2	Very high	86	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-36.1	176.3	0	0	0	0	0	113.2	I540 S541 L542 M547 G548 I620 F623 L624	I540-A544 WeakPolarHBondContact O-CB 3.29Å; I540-A544 PolarHBondContact O-N 2.74Å; S541-A544 PolarHBondContact O-N 2.92Å; L542-A544 VanDerWaalsContact C-N 3.29Å; L542-A544 PolarHBondContact O-N 3.5Å; A544-M547 HydrophobicContact CB-CE 4.37Å; A544-M547 PolarHBondContact O-N 3.33Å; A544-G548 PolarHBondContact O-N 3.3Å; A544-I620 WeakPolarHBondContact O-CG2 3.48Å; A544-F623 HydrophobicContact CB-CD1 3.61Å; A544-F623 HydrophobicContact CB-CE1 3.6Å; A544-L624 HydrophobicContact CB-CD2 3.51Å; A544-L624 HydrophobicContact CB-CG 3.92Å
545	C	87.5	Confident	85.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-44.7	174	-65.1	0	0	0	0	111.3	S541 L542 L543 G548 I549 I593 L624	S541-C545 PolarHBondContact O-N 3.08Å; S541-C545 PolarHBondContact O-SG 3.42Å; L542-C545 PolarHBondContact O-N 3.28Å; L542-C545 VanDerWaalsContact O-N 3.15Å; L543-C545 PolarHBondContact O-N 3.28Å; C545-G548 PolarHBondContact O-N 3.42Å; C545-G548 VanDerWaalsContact O-N 3.15Å; C545-I549 WeakPolarHBondContact O-CG1 3.33Å; C545-I549 PolarHBondContact O-N 3.21Å; C545-I593 HydrophobicContact CB-CG2 3.74Å; C545-L624 VanDerWaalsContact SG-CD2 3.59Å
546	I	89	Confident	85.1	Confident	73 Å²	73	45.1 Å²	45.1	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-60.3	-49.1	177	-64.3	167.9	0	0	0	110.4	L542 L543 G548 I549 I550 I593	L542-I546 HydrophobicContact CD1-CD1 4.31Å; L542-I546 HydrophobicContact CG-CD1 4.33Å; L542-I546 WeakPolarHBondContact O-CG1 3.36Å; L542-I546 PolarHBondContact O-N 3.05Å; L543-I546 PolarHBondContact O-N 3.01Å; I546-G548 VanDerWaalsContact C-N 3.26Å; I546-G548 PolarHBondContact O-N 3.09Å; I546-I549 PolarHBondContact O-N 2.97Å; I546-I550 HydrophobicContact CG2-CD1 4.15Å; I546-I550 WeakPolarHBondContact O-CG1 3.29Å; I546-I550 PolarHBondContact O-N 3.43Å; I546-I550 VanDerWaalsContact O-N 3.13Å; I546-I593 HydrophobicContact CG1-CG2 4.49Å
547	M	89.2	Confident	84.4	Confident	79 Å²	79	46.9 Å²	46.9	39%	0.389	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-37.5	175.8	-68.7	-171.8	-68.2	0	0	111.9	L543 A544 I550 Q551 I620	L543-M547 WeakPolarHBondContact O-CG 3.4Å; L543-M547 PolarHBondContact O-N 2.87Å; A544-M547 HydrophobicContact CB-CE 4.37Å; A544-M547 PolarHBondContact O-N 3.33Å; M547-I550 PolarHBondContact O-N 2.92Å; M547-Q551 WeakPolarHBondContact O-CB 3.19Å; M547-Q551 WeakPolarHBondContact O-CG 3.43Å; M547-Q551 PolarHBondContact O-N 2.92Å; M547-I620 VanDerWaalsContact C-CD1 3.47Å; M547-I620 HydrophobicContact CB-CD1 3.52Å
548	G	84.3	Confident	83.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-46.5	177.3	0	0	0	0	0	112.3	A544 C545 I546 I550 Q551 T552 F597	A544-G548 PolarHBondContact O-N 3.3Å; C545-G548 PolarHBondContact O-N 3.42Å; C545-G548 VanDerWaalsContact O-N 3.15Å; I546-G548 VanDerWaalsContact C-N 3.26Å; I546-G548 PolarHBondContact O-N 3.09Å; G548-I550 VanDerWaalsContact C-N 3.35Å; G548-I550 PolarHBondContact O-N 3.28Å; G548-Q551 PolarHBondContact O-N 3.44Å; G548-T552 WeakPolarHBondContact O-CB 3.33Å; G548-T552 VanDerWaalsContact O-CG2 3.3Å; G548-T552 WeakPolarHBondContact O-CG2 3.49Å; G548-T552 PolarHBondContact O-N 3.4Å; G548-T552 PolarHBondContact O-OG1 2.92Å; G548-F597 WeakPolarHBondContact O-CE2 3.35Å
549	I	86.6	Confident	82.6	Confident	51 Å²	51	59.5 Å²	59.5	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-56.7	-50.5	175.1	-67.8	166	0	0	0	109.7	C545 I546 Q551 T552 N553 I593 F597	C545-I549 WeakPolarHBondContact O-CG1 3.33Å; C545-I549 PolarHBondContact O-N 3.21Å; I546-I549 PolarHBondContact O-N 2.97Å; I549-Q551 PolarHBondContact O-N 3.37Å; I549-T552 PolarHBondContact O-N 2.91Å; I549-T552 PolarHBondContact O-OG1 3.45Å; I549-N553 WeakPolarHBondContact O-CB 3.29Å; I549-N553 PolarHBondContact O-N 2.9Å; I549-N553 PolarHBondContact O-ND2 3.24Å; I549-N553 PolarHBondContact O-OD1 2.77Å; I549-I593 HydrophobicContact CD1-CG2 3.75Å; I549-F597 HydrophobicContact CB-CD2 4.48Å; I549-F597 HydrophobicContact CD1-CB 4.24Å; I549-F597 HydrophobicContact CG1-CB 3.87Å; I549-F597 HydrophobicContact CG1-CD2 3.67Å; I549-F597 HydrophobicContact CG1-CG 4.19Å
550	I	86.2	Confident	81.7	Confident	110 Å²	110	58.3 Å²	58.3	56%	0.564	27%	0.274	S	S	*	.	H	α-helix	trans	-60.2	-44.5	-179.2	-64	167.3	0	0	0	111.7	I546 M547 G548	I546-I550 HydrophobicContact CG2-CD1 4.15Å; I546-I550 WeakPolarHBondContact O-CG1 3.29Å; I546-I550 PolarHBondContact O-N 3.43Å; I546-I550 VanDerWaalsContact O-N 3.13Å; M547-I550 PolarHBondContact O-N 2.92Å; G548-I550 VanDerWaalsContact C-N 3.35Å; G548-I550 PolarHBondContact O-N 3.28Å
551	Q	83.2	Confident	80.7	Confident	18 Å²	18	60.4 Å²	60.4	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-75.3	-36.1	-176.7	-70.7	-174.5	16.6	0	0	113.3	Y438 M547 G548 I549 N553 I620	Y438-Q551 PolarHBondContact OH-OE1 2.92Å; M547-Q551 WeakPolarHBondContact O-CB 3.19Å; M547-Q551 WeakPolarHBondContact O-CG 3.43Å; M547-Q551 PolarHBondContact O-N 2.92Å; G548-Q551 PolarHBondContact O-N 3.44Å; I549-Q551 PolarHBondContact O-N 3.37Å; Q551-N553 VanDerWaalsContact C-N 3.33Å; Q551-I620 HydrophobicContact CB-CD1 4.4Å; Q551-I620 HydrophobicContact CG-CD1 4.04Å; Q551-I620 VanDerWaalsContact NE2-CD1 3.34Å; Q551-I620 VanDerWaalsContact OE1-CD1 3.25Å
552	T	79.3	Confident	79.6	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-78.4	-19.7	179.1	56.6	0	0	0	0	112.6	G548 I549 Q554 L555 F597 T601 R604 I621	G548-T552 WeakPolarHBondContact O-CB 3.33Å; G548-T552 VanDerWaalsContact O-CG2 3.3Å; G548-T552 WeakPolarHBondContact O-CG2 3.49Å; G548-T552 PolarHBondContact O-N 3.4Å; G548-T552 PolarHBondContact O-OG1 2.92Å; I549-T552 PolarHBondContact O-N 2.91Å; I549-T552 PolarHBondContact O-OG1 3.45Å; T552-Q554 PolarHBondContact O-N 2.9Å; T552-L555 WeakPolarHBondContact O-CB 3.2Å; T552-L555 PolarHBondContact O-N 3.33Å; T552-F597 HydrophobicContact CG2-CE2 3.88Å; T552-F597 HydrophobicContact CG2-CZ 4.29Å; T552-T601 HydrophobicContact CG2-CG2 3.97Å; T552-R604 WeakPolarHBondContact O-CD 3.46Å; T552-R604 PolarHBondContact O-NH1 3.11Å; T552-I621 HydrophobicContact CG2-CD1 4.44Å
553	N	80	Confident	78.4	Confident	81 Å²	81	65.1 Å²	65.1	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-17.8	175.1	-83.8	-11	0	0	0	114.4	I549 Q551 L555 R604	I549-N553 WeakPolarHBondContact O-CB 3.29Å; I549-N553 PolarHBondContact O-N 2.9Å; I549-N553 PolarHBondContact O-ND2 3.24Å; I549-N553 PolarHBondContact O-OD1 2.77Å; Q551-N553 VanDerWaalsContact C-N 3.33Å; N553-L555 VanDerWaalsContact C-N 3.35Å; N553-R604 PolarHBondContact O-NH1 3.33Å; N553-R604 PolarHBondContact OD1-NH2 3.26Å
554	Q	73.5	Confident	77.4	Confident	73 Å²	73	61.6 Å²	61.6	34%	0.341	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.8	177.1	-58.9	-175	0.4	0	0	114.8	H435 T552 Q611	H435-Q554 PolarHBondContact CE1-O 3.15Å; T552-Q554 PolarHBondContact O-N 2.9Å; Q554-Q611 PolarHBondContact O-NE2 3.27Å
555	L	72.1	Confident	76.7	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-88.4	147.7	-179.6	-65.7	160.8	0	0	0	111.6	T552 N553 R604 V606 P616 L687	T552-L555 WeakPolarHBondContact O-CB 3.2Å; T552-L555 PolarHBondContact O-N 3.33Å; N553-L555 VanDerWaalsContact C-N 3.35Å; L555-R604 HydrophobicContact CB-CB 3.72Å; L555-R604 HydrophobicContact CB-CG 4.2Å; L555-R604 HydrophobicContact CD1-CB 4.29Å; L555-R604 PolarHBondContact O-NH1 2.99Å; L555-V606 HydrophobicContact CD2-CG2 3.92Å; L555-P616 HydrophobicContact CD1-CG 4.46Å; L555-P616 HydrophobicContact CD2-CG 3.75Å; L555-P616 HydrophobicContact CG-CG 3.97Å; L555-L687 HydrophobicContact CD1-CD1 4.02Å; L555-L687 HydrophobicContact CD1-CD2 3.77Å; L555-L687 HydrophobicContact CD1-CG 3.98Å
556	K	73	Confident	76.2	Confident	133 Å²	133	65.1 Å²	65.1	58%	0.578	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.6	-178.7	-175.3	177.6	-178.8	179.2	0	111.1	R604 K605 C607	K556-R604 CarbonylContact O-C 3.42Å; K556-R604 VanDerWaalsContact O-CA 3.24Å; K556-R604 WeakPolarHBondContact O-CA 3.4Å; K556-K605 PolarHBondContact N-O 2.82Å; K556-K605 VanDerWaalsContact N-O 3.1Å; K556-K605 PolarHBondContact O-N 3.39Å; K556-C607 HydrophobicContact CB-CB 3.88Å; K556-C607 HydrophobicContact CD-CB 4.06Å
557	F	72.3	Confident	75.6	Confident	109 Å²	109	62 Å²	62	48%	0.478	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145	177.6	-162.6	-102	0	0	0	112.5	R603	F557-R603 CarbonylContact C-O 3.58Å; F557-R603 WeakPolarHBondContact CA-O 3.37Å; F557-R603 HydrophobicContact CD2-CB 4.15Å; F557-R603 HydrophobicContact CE2-CB 3.91Å; F557-R603 HydrophobicContact CZ-CB 4.44Å
558	H	70.7	Confident	75.2	Confident	61 Å²	61	59.4 Å²	59.4	28%	0.282	27%	0.272	S	S	.	.			trans	-140.8	142.2	-177.8	-175.7	67.2	0	0	0	110.2	R603 K605	H558-R603 PolarHBondContact N-O 3.49Å; H558-K605 HydrophobicContact CB-CB 4.49Å; H558-K605 HydrophobicContact CB-CD 4.07Å; H558-K605 HydrophobicContact CB-CG 4.04Å; H558-K605 WeakPolarHBondContact CD2-CE 3.45Å; H558-K605 PolarHBondContact CD2-NZ 2.94Å; H558-K605 PolarHBondContact CE1-NZ 2.99Å; H558-K605 VanDerWaalsContact CE1-NZ 3.34Å; H558-K605 PolarHBondContact NE2-NZ 3.33Å
559	R	67.9	Low	75.1	Confident	217 Å²	217	64 Å²	64	82%	0.819	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-80.3	121.7	178.1	-157.8	-179.6	-156	176.8	6.7	110
560	L	67.7	Low	74.7	Confident	28 Å²	28	62.5 Å²	62.5	15%	0.147	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.8	176.9	-78.7	159.7	0	0	0	111.6	E564 Y568 R603	L560-E564 HydrophobicContact CD2-CB 3.91Å; L560-E564 WeakPolarHBondContact CD2-OE2 3.45Å; L560-Y568 HydrophobicContact CD1-CD2 4.11Å; L560-Y568 HydrophobicContact CD1-CE2 3.8Å; L560-Y568 HydrophobicContact CD2-CE2 3.54Å; L560-Y568 HydrophobicContact CG-CE2 4.28Å; L560-R603 HydrophobicContact CD1-CG 3.35Å; L560-R603 HydrophobicContact CG-CG 3.77Å
561	K	70.1	Confident	74.5	Confident	96 Å²	96	57.3 Å²	57.3	42%	0.417	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-78.9	155.4	172.7	-68.1	-177.1	179.6	-174.6	0	111	E169 S563 E564 N565	E169-K561 VanDerWaalsContact OE1-CD 3.25Å; E169-K561 WeakPolarHBondContact OE1-CD 3.41Å; E169-K561 WeakPolarHBondContact OE1-CE 3.24Å; E169-K561 IonicContact OE1-NZ 3.61Å; E169-K561 PolarHBondContact OE1-NZ 3.36Å; K561-S563 PolarHBondContact O-N 3.36Å; K561-S563 VanDerWaalsContact O-N 3.15Å; K561-E564 HydrophobicContact CB-CG 4.38Å; K561-E564 PolarHBondContact N-OE2 3.18Å; K561-E564 WeakPolarHBondContact O-CB 3.46Å; K561-E564 PolarHBondContact O-N 3.36Å; K561-N565 PolarHBondContact O-N 3.06Å; K561-N565 VanDerWaalsContact O-N 3.15Å
562	Q	66.5	Low	74.2	Confident	111 Å²	111	58.7 Å²	58.7	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-28.8	178.5	-169.6	65.1	3.1	0	0	113.3	E564 N565	Q562-E564 VanDerWaalsContact C-N 3.3Å; Q562-E564 PolarHBondContact O-N 2.98Å; Q562-N565 PolarHBondContact OE1-ND2 3.44Å
563	S	64.4	Low	74.3	Confident	13 Å²	13	63.2 Å²	63.2	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-28.1	174.8	53.4	0	0	0	0	113.6	E169 K364 K561	E169-S563 PolarHBondContact OE2-OG 3.09Å; K364-S563 PolarHBondContact NZ-O 3.19Å; K364-S563 VanDerWaalsContact NZ-O 3.1Å; K561-S563 PolarHBondContact O-N 3.36Å; K561-S563 VanDerWaalsContact O-N 3.15Å
564	E	70.4	Confident	74	Confident	33 Å²	33	59.4 Å²	59.4	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-87	-34.5	179.9	-60.2	172.6	149	0	0	110.3	L560 K561 Q562 F566 E567 Y568	L560-E564 HydrophobicContact CD2-CB 3.91Å; L560-E564 WeakPolarHBondContact CD2-OE2 3.45Å; K561-E564 HydrophobicContact CB-CG 4.38Å; K561-E564 PolarHBondContact N-OE2 3.18Å; K561-E564 WeakPolarHBondContact O-CB 3.46Å; K561-E564 PolarHBondContact O-N 3.36Å; Q562-E564 VanDerWaalsContact C-N 3.3Å; Q562-E564 PolarHBondContact O-N 2.98Å; E564-F566 PolarHBondContact O-N 2.99Å; E564-F566 VanDerWaalsContact O-N 3.13Å; E564-E567 PolarHBondContact O-N 3.26Å; E564-Y568 HydrophobicContact CB-CE2 4.14Å; E564-Y568 VanDerWaalsContact O-CD2 3.29Å; E564-Y568 WeakPolarHBondContact O-CD2 3.45Å; E564-Y568 VanDerWaalsContact O-CE2 3.27Å; E564-Y568 WeakPolarHBondContact O-CE2 3.34Å
565	N	76.5	Confident	74.2	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-52.3	-36.3	175.9	-73.3	-17.7	0	0	0	113.7	K561 Q562 E567 Y568 N569	K561-N565 PolarHBondContact O-N 3.06Å; K561-N565 VanDerWaalsContact O-N 3.15Å; Q562-N565 PolarHBondContact OE1-ND2 3.44Å; N565-E567 PolarHBondContact O-N 3.43Å; N565-Y568 PolarHBondContact O-N 3.46Å; N565-N569 VanDerWaalsContact O-CG 3.32Å; N565-N569 PolarHBondContact O-N 3.45Å
566	F	77.8	Confident	74.5	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-38.3	178	178.4	-103.7	0	0	0	112.7	Y363 K364 E564 N569 L570	Y363-F566 AromaticContact CD1-CD2 3.98Å; Y363-F566 HydrophobicContact CD1-CD2 3.98Å; Y363-F566 AromaticContact CD1-CE2 3.22Å; Y363-F566 HydrophobicContact CD1-CE2 3.22Å; Y363-F566 AromaticContact CD1-CZ 3.76Å; Y363-F566 HydrophobicContact CD1-CZ 3.76Å; Y363-F566 AromaticContact CE1-CD2 3.91Å; Y363-F566 HydrophobicContact CE1-CD2 3.91Å; Y363-F566 AromaticContact CE1-CE2 3.48Å; Y363-F566 HydrophobicContact CE1-CE2 3.48Å; Y363-F566 VanDerWaalsContact CE1-CE2 3.48Å; Y363-F566 HydrophobicContact CE1-CZ 4.45Å; Y363-F566 HydrophobicContact CG-CE2 4.36Å; K364-F566 HydrophobicContact CB-CD1 4.26Å; K364-F566 HydrophobicContact CB-CE1 4.06Å; K364-F566 HydrophobicContact CD-CD1 3.8Å; K364-F566 HydrophobicContact CD-CE1 4.21Å; K364-F566 HydrophobicContact CG-CD1 4.22Å; K364-F566 HydrophobicContact CG-CE1 4.5Å; E564-F566 PolarHBondContact O-N 2.99Å; E564-F566 VanDerWaalsContact O-N 3.13Å; F566-N569 PolarHBondContact O-N 3.42Å; F566-L570 PolarHBondContact O-N 3.02Å; F566-L570 VanDerWaalsContact O-N 3.08Å
567	E	76.1	Confident	74.2	Confident	9 Å²	9	54.2 Å²	54.2	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-71.8	-34.6	-177.8	-61.9	-178.8	-172.9	0	0	111.3	K364 E564 N565 L570 L571 H675	K364-E567 IonicContact NZ-OE1 3.86Å; K364-E567 PolarHBondContact NZ-OE1 3.29Å; E564-E567 PolarHBondContact O-N 3.26Å; N565-E567 PolarHBondContact O-N 3.43Å; E567-L570 PolarHBondContact O-N 2.96Å; E567-L571 PolarHBondContact O-N 3.27Å; E567-L571 VanDerWaalsContact O-N 3.08Å; E567-H675 PolarHBondContact O-NE2 3.28Å
568	Y	80.4	Confident	74	Confident	24 Å²	24	49.1 Å²	49.1	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-75	-32.5	174.2	-50.8	-63.3	0	0	0	112.9	L560 E564 N565 L570 L571 T572 I598 V599 S602	L560-Y568 HydrophobicContact CD1-CD2 4.11Å; L560-Y568 HydrophobicContact CD1-CE2 3.8Å; L560-Y568 HydrophobicContact CD2-CE2 3.54Å; L560-Y568 HydrophobicContact CG-CE2 4.28Å; E564-Y568 HydrophobicContact CB-CE2 4.14Å; E564-Y568 VanDerWaalsContact O-CD2 3.29Å; E564-Y568 WeakPolarHBondContact O-CD2 3.45Å; E564-Y568 VanDerWaalsContact O-CE2 3.27Å; E564-Y568 WeakPolarHBondContact O-CE2 3.34Å; N565-Y568 PolarHBondContact O-N 3.46Å; Y568-L570 VanDerWaalsContact C-N 3.31Å; Y568-L570 PolarHBondContact O-N 3.33Å; Y568-L571 WeakPolarHBondContact O-CB 3.37Å; Y568-L571 PolarHBondContact O-N 2.98Å; Y568-T572 PolarHBondContact O-N 2.82Å; Y568-T572 PolarHBondContact O-OG1 2.9Å; Y568-I598 HydrophobicContact CE1-CG2 4.26Å; Y568-V599 HydrophobicContact CD1-CG2 3.83Å; Y568-V599 HydrophobicContact CG-CG2 4.26Å; Y568-S602 WeakPolarHBondContact CE1-OG 3.34Å; Y568-S602 VanDerWaalsContact CZ-CB 3.45Å; Y568-S602 WeakPolarHBondContact OH-CB 3.34Å; Y568-S602 PolarHBondContact OH-OG 3.22Å
569	N	82	Confident	73.7	Confident	96 Å²	96	50.1 Å²	50.1	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-43	172	-70.5	-11.5	0	0	0	110.7	N565 F566 L571 T572 I573	N565-N569 VanDerWaalsContact O-CG 3.32Å; N565-N569 PolarHBondContact O-N 3.45Å; F566-N569 PolarHBondContact O-N 3.42Å; N569-L571 VanDerWaalsContact C-N 3.33Å; N569-L571 PolarHBondContact O-N 3.27Å; N569-T572 WeakPolarHBondContact O-CB 3.15Å; N569-T572 PolarHBondContact O-N 3.3Å; N569-T572 VanDerWaalsContact O-N 3.11Å; N569-I573 WeakPolarHBondContact O-CG1 3.12Å; N569-I573 PolarHBondContact O-N 2.93Å
570	L	79	Confident	73.3	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-40.4	176	-168.7	59.3	0	0	0	111.9	M175 F566 E567 Y568 T572 I573 G574 F671	M175-L570 HydrophobicContact CE-CD2 4Å; F566-L570 PolarHBondContact O-N 3.02Å; F566-L570 VanDerWaalsContact O-N 3.08Å; E567-L570 PolarHBondContact O-N 2.96Å; Y568-L570 VanDerWaalsContact C-N 3.31Å; Y568-L570 PolarHBondContact O-N 3.33Å; L570-T572 VanDerWaalsContact C-N 3.3Å; L570-T572 PolarHBondContact O-N 2.96Å; L570-I573 PolarHBondContact O-N 3.26Å; L570-G574 PolarHBondContact O-N 3.29Å; L570-F671 HydrophobicContact CD1-CE1 3.57Å; L570-F671 HydrophobicContact CD1-CZ 3.7Å; L570-F671 HydrophobicContact CD2-CE1 4.12Å; L570-F671 HydrophobicContact CD2-CZ 3.66Å; L570-F671 HydrophobicContact CG-CE1 3.57Å; L570-F671 HydrophobicContact CG-CZ 3.65Å
571	L	81.4	Confident	72.9	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-37.5	172.6	-167.2	71	0	0	0	112	E567 Y568 N569 G574 L575 F595 I598 F672 S676	E567-L571 PolarHBondContact O-N 3.27Å; E567-L571 VanDerWaalsContact O-N 3.08Å; Y568-L571 WeakPolarHBondContact O-CB 3.37Å; Y568-L571 PolarHBondContact O-N 2.98Å; N569-L571 VanDerWaalsContact C-N 3.33Å; N569-L571 PolarHBondContact O-N 3.27Å; L571-G574 PolarHBondContact O-N 3.33Å; L571-L575 PolarHBondContact O-N 3.38Å; L571-F595 HydrophobicContact CB-CD2 4.28Å; L571-F595 HydrophobicContact CB-CE2 4.07Å; L571-F595 HydrophobicContact CD2-CD2 3.36Å; L571-F595 HydrophobicContact CD2-CE2 3.75Å; L571-F595 HydrophobicContact CD2-CG 4.32Å; L571-F595 HydrophobicContact CG-CD2 3.58Å; L571-F595 HydrophobicContact CG-CE2 3.89Å; L571-I598 HydrophobicContact CD2-CB 4.42Å; L571-I598 HydrophobicContact CD2-CD1 4.45Å; L571-I598 HydrophobicContact CD2-CG2 4.16Å; L571-F672 HydrophobicContact CD1-CD2 3.73Å; L571-F672 HydrophobicContact CD1-CE2 3.58Å; L571-F672 HydrophobicContact CD1-CZ 4.49Å; L571-F672 HydrophobicContact CG-CD2 4.33Å; L571-F672 HydrophobicContact CG-CE2 3.97Å; L571-S676 WeakPolarHBondContact CD1-OG 3.2Å
572	T	78	Confident	72.1	Confident	47 Å²	47	49.5 Å²	49.5	29%	0.288	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-41.3	177.5	-54	0	0	0	0	111.3	Y568 N569 L570 G574 L575 I576 F595	Y568-T572 PolarHBondContact O-N 2.82Å; Y568-T572 PolarHBondContact O-OG1 2.9Å; N569-T572 WeakPolarHBondContact O-CB 3.15Å; N569-T572 PolarHBondContact O-N 3.3Å; N569-T572 VanDerWaalsContact O-N 3.11Å; L570-T572 VanDerWaalsContact C-N 3.3Å; L570-T572 PolarHBondContact O-N 2.96Å; T572-G574 VanDerWaalsContact C-N 3.33Å; T572-G574 PolarHBondContact O-N 3.08Å; T572-L575 PolarHBondContact O-N 3.48Å; T572-I576 HydrophobicContact CG2-CD1 4.03Å; T572-I576 HydrophobicContact CG2-CG1 4.43Å; T572-I576 VanDerWaalsContact O-CG1 3.31Å; T572-I576 WeakPolarHBondContact O-CG1 3.24Å; T572-I576 PolarHBondContact O-N 3.29Å; T572-F595 WeakPolarHBondContact OG1-CE2 3.44Å; T572-F595 WeakPolarHBondContact OG1-CZ 3.48Å
573	I	81.1	Confident	71.8	Confident	97 Å²	97	45.9 Å²	45.9	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-45.1	175	-64.9	167.1	0	0	0	110.4	N569 L570 L575 I576 A577	N569-I573 WeakPolarHBondContact O-CG1 3.12Å; N569-I573 PolarHBondContact O-N 2.93Å; L570-I573 PolarHBondContact O-N 3.26Å; I573-L575 VanDerWaalsContact C-N 3.34Å; I573-L575 PolarHBondContact O-N 2.63Å; I573-I576 PolarHBondContact O-N 3.35Å; I573-A577 PolarHBondContact O-N 2.96Å; I573-A577 VanDerWaalsContact O-N 3.17Å
574	G	73.5	Confident	71.8	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-35.5	175.3	0	0	0	0	0	113.7	L570 L571 T572 A577 L578	L570-G574 PolarHBondContact O-N 3.29Å; L571-G574 PolarHBondContact O-N 3.33Å; T572-G574 VanDerWaalsContact C-N 3.33Å; T572-G574 PolarHBondContact O-N 3.08Å; G574-A577 WeakPolarHBondContact O-CB 3.46Å; G574-L578 PolarHBondContact O-N 3.29Å
575	L	77.9	Confident	71.9	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-43	176	179	67.1	0	0	0	112.2	L571 T572 I573 A577 L578 L579 A591 L592 F595 F672	L571-L575 PolarHBondContact O-N 3.38Å; T572-L575 PolarHBondContact O-N 3.48Å; I573-L575 VanDerWaalsContact C-N 3.34Å; I573-L575 PolarHBondContact O-N 2.63Å; L575-A577 PolarHBondContact O-N 2.93Å; L575-L578 WeakPolarHBondContact O-CA 2.96Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.44Å; L575-L579 HydrophobicContact CG-CD1 4.36Å; L575-L579 WeakPolarHBondContact O-CG 3.34Å; L575-L579 PolarHBondContact O-N 3.04Å; L575-A591 HydrophobicContact CD1-CB 4.38Å; L575-L592 HydrophobicContact CD1-CD2 3.88Å; L575-L592 HydrophobicContact CD1-CG 4.31Å; L575-L592 HydrophobicContact CD2-CD2 3.82Å; L575-L592 HydrophobicContact CG-CD2 4.21Å; L575-F595 HydrophobicContact CB-CD2 4.49Å; L575-F595 HydrophobicContact CD2-CB 4.05Å; L575-F595 HydrophobicContact CD2-CD1 3.89Å; L575-F595 HydrophobicContact CD2-CD2 3.94Å; L575-F595 HydrophobicContact CD2-CE1 4.35Å; L575-F595 HydrophobicContact CD2-CE2 4.41Å; L575-F595 HydrophobicContact CD2-CG 3.68Å; L575-F672 HydrophobicContact CB-CD2 4.48Å; L575-F672 HydrophobicContact CB-CE2 4.17Å
576	I	77.6	Confident	71.9	Confident	88 Å²	88	53.2 Å²	53.2	45%	0.451	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-41.4	176.3	-69.3	165.3	0	0	0	110.1	T572 I573 L578 L579 Y580	T572-I576 HydrophobicContact CG2-CD1 4.03Å; T572-I576 HydrophobicContact CG2-CG1 4.43Å; T572-I576 VanDerWaalsContact O-CG1 3.31Å; T572-I576 WeakPolarHBondContact O-CG1 3.24Å; T572-I576 PolarHBondContact O-N 3.29Å; I573-I576 PolarHBondContact O-N 3.35Å; I576-L578 PolarHBondContact O-N 3.49Å; I576-L579 PolarHBondContact O-N 2.68Å; I576-L579 VanDerWaalsContact O-N 3.16Å; I576-Y580 HydrophobicContact CG2-CD2 4.37Å; I576-Y580 HydrophobicContact CG2-CE2 4.42Å; I576-Y580 PolarHBondContact O-N 3.16Å
577	A	67.1	Low	71.9	Confident	3 Å²	3	52.8 Å²	52.8	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-34.9	175.1	0	0	0	0	0	113	I573 G574 L575 F665 L668	I573-A577 PolarHBondContact O-N 2.96Å; I573-A577 VanDerWaalsContact O-N 3.17Å; G574-A577 WeakPolarHBondContact O-CB 3.46Å; L575-A577 PolarHBondContact O-N 2.93Å; A577-F665 HydrophobicContact CB-CD1 3.84Å; A577-F665 HydrophobicContact CB-CE1 4.35Å; A577-F665 VanDerWaalsContact O-CD1 3.31Å; A577-F665 WeakPolarHBondContact O-CD1 3.49Å; A577-L668 HydrophobicContact CB-CB 3.44Å; A577-L668 VanDerWaalsContact CB-CB 3.44Å; A577-L668 HydrophobicContact CB-CD1 3.69Å; A577-L668 HydrophobicContact CB-CG 4.21Å
578	L	67.7	Low	72.1	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-74.3	-36.2	175.9	-173.7	69.9	0	0	0	112.5	G574 L575 I576 Y580 L581 A591 I669	G574-L578 PolarHBondContact O-N 3.29Å; L575-L578 WeakPolarHBondContact O-CA 2.96Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.44Å; I576-L578 PolarHBondContact O-N 3.49Å; L578-Y580 PolarHBondContact O-N 3.15Å; L578-L581 PolarHBondContact O-N 2.89Å; L578-A591 HydrophobicContact CD2-CB 3.1Å; L578-I669 HydrophobicContact CD1-CD1 4.11Å; L578-I669 HydrophobicContact CD1-CG1 4.02Å; L578-I669 HydrophobicContact CD1-CG2 4.48Å
579	L	64.2	Low	72.3	Confident	82 Å²	82	55.5 Å²	55.5	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-17.7	-179.5	-69.2	170.9	0	0	0	113.3	L575 I576 I588 L592	L575-L579 HydrophobicContact CG-CD1 4.36Å; L575-L579 WeakPolarHBondContact O-CG 3.34Å; L575-L579 PolarHBondContact O-N 3.04Å; I576-L579 PolarHBondContact O-N 2.68Å; I576-L579 VanDerWaalsContact O-N 3.16Å; L579-I588 HydrophobicContact CD2-CG2 3.74Å; L579-L592 HydrophobicContact CD2-CD1 4.23Å; L579-L592 HydrophobicContact CD2-CD2 4.21Å; L579-L592 HydrophobicContact CD2-CG 4.37Å
580	Y	60.3	Low	72.7	Confident	169 Å²	169	50.9 Å²	50.9	66%	0.663	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.7	179	-97.4	-87.2	0	0	0	115.1	I576 L578 F665	I576-Y580 HydrophobicContact CG2-CD2 4.37Å; I576-Y580 HydrophobicContact CG2-CE2 4.42Å; I576-Y580 PolarHBondContact O-N 3.16Å; L578-Y580 PolarHBondContact O-N 3.15Å; Y580-F665 HydrophobicContact CG-CE1 4.41Å; Y580-F665 HydrophobicContact CG-CZ 4.16Å
581	L	58.4	Low	73.1	Confident	10 Å²	10	50 Å²	50	5%	0.052	27%	0.265	C	S	.	.	S	Bend	trans	-104.9	112.3	171	-75.9	162.3	0	0	0	108	L578 K583 W658 I661 F665 I669	L578-L581 PolarHBondContact O-N 2.89Å; L581-K583 PolarHBondContact O-N 2.86Å; L581-W658 HydrophobicContact CD2-CH2 3.75Å; L581-W658 HydrophobicContact CD2-CZ3 3.82Å; L581-I661 HydrophobicContact CD2-CG2 3.73Å; L581-F665 HydrophobicContact CD1-CB 3.95Å; L581-I669 HydrophobicContact CD1-CD1 3.67Å
582	I	54.1	Low	73.5	Confident	149 Å²	149	52.2 Å²	52.2	76%	0.764	28%	0.277	S	S	*	.			trans	-66.5	78.4	170.1	-59.1	174.5	0	0	0	107.6	Y649	I582-Y649 PolarHBondContact O-OH 3.21Å; I582-Y649 VanDerWaalsContact O-OH 3.08Å
583	K	59.9	Low	74.2	Confident	34 Å²	34	52.2 Å²	52.2	15%	0.148	28%	0.275	C	S	.	.			trans	-102.2	150.1	176.9	-159.7	173.7	-171.4	-172.8	0	107.5	L581 T585 E587 I588	L581-K583 PolarHBondContact O-N 2.86Å; K583-T585 PolarHBondContact O-N 3.37Å; K583-T585 VanDerWaalsContact O-N 3.12Å; K583-E587 WeakPolarHBondContact CD-OE2 3.42Å; K583-E587 WeakPolarHBondContact CE-OE1 3.28Å; K583-E587 WeakPolarHBondContact CE-OE2 3.48Å; K583-E587 IonicContact NZ-OE1 2.61Å; K583-E587 IonicContact NZ-OE2 3.12Å; K583-E587 PolarHBondContact NZ-OE2 3.47Å; K583-I588 VanDerWaalsContact O-CD1 3.32Å; K583-I588 WeakPolarHBondContact O-CD1 3.49Å
584	C	64.5	Low	74.8	Confident	87 Å²	87	47.6 Å²	47.6	59%	0.588	25%	0.251	S	S	*	.			trans	-30.4	118.8	-176.9	-64.6	0	0	0	0	111	L586 E587	C584-L586 CarbonylContact O-C 3.54Å; C584-L586 PolarHBondContact O-N 2.93Å; C584-E587 PolarHBondContact O-N 3.09Å
585	T	71.6	Confident	75.7	Confident	116 Å²	116	48.6 Å²	48.6	71%	0.712	26%	0.255	S	S	*	.	H	α-helix	trans	-41.1	-33.4	-174.1	46.3	0	0	0	0	113.2	K583 I588 C589	K583-T585 PolarHBondContact O-N 3.37Å; K583-T585 VanDerWaalsContact O-N 3.12Å; T585-I588 PolarHBondContact O-N 3.27Å; T585-C589 WeakPolarHBondContact O-CB 3.38Å; T585-C589 PolarHBondContact O-N 3.22Å; T585-C589 PolarHBondContact O-SG 3.29Å
586	L	77.4	Confident	76.3	Confident	46 Å²	46	54.2 Å²	54.2	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-47	173.4	-168.5	79.3	0	0	0	115.1	L535 T539 L542 C584 I588 C589 Q590	L535-L586 HydrophobicContact CD1-CD2 3.53Å; T539-L586 HydrophobicContact CG2-CD1 4.44Å; T539-L586 HydrophobicContact CG2-CD2 3.41Å; T539-L586 VanDerWaalsContact CG2-CD2 3.41Å; L542-L586 HydrophobicContact CD2-CD1 3.63Å; C584-L586 CarbonylContact O-C 3.54Å; C584-L586 PolarHBondContact O-N 2.93Å; L586-I588 VanDerWaalsContact C-N 3.33Å; L586-I588 PolarHBondContact O-N 2.91Å; L586-C589 PolarHBondContact O-N 3.04Å; L586-Q590 VanDerWaalsContact O-CB 3.24Å; L586-Q590 WeakPolarHBondContact O-CB 3.47Å; L586-Q590 PolarHBondContact O-N 2.9Å
587	E	77.4	Confident	77.1	Confident	17 Å²	17	50.1 Å²	50.1	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-38	-179.1	-72.5	-168	-148.8	0	0	111.5	K534 K583 C584 A591	K534-E587 WeakPolarHBondContact CD-OE1 3.43Å; K534-E587 VanDerWaalsContact CE-CD 3.41Å; K534-E587 WeakPolarHBondContact CE-OE1 3.48Å; K534-E587 WeakPolarHBondContact CE-OE2 3.48Å; K534-E587 IonicContact NZ-OE2 2.67Å; K583-E587 WeakPolarHBondContact CD-OE2 3.42Å; K583-E587 WeakPolarHBondContact CE-OE1 3.28Å; K583-E587 WeakPolarHBondContact CE-OE2 3.48Å; K583-E587 IonicContact NZ-OE1 2.61Å; K583-E587 IonicContact NZ-OE2 3.12Å; K583-E587 PolarHBondContact NZ-OE2 3.47Å; C584-E587 PolarHBondContact O-N 3.09Å; E587-A591 WeakPolarHBondContact O-CB 3.42Å; E587-A591 PolarHBondContact O-N 3.3Å
588	I	80.6	Confident	78.3	Confident	31 Å²	31	50 Å²	50	16%	0.159	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-48.7	175.8	-64.3	175.2	0	0	0	109.6	L579 K583 T585 L586 Q590 A591 L592	L579-I588 HydrophobicContact CD2-CG2 3.74Å; K583-I588 VanDerWaalsContact O-CD1 3.32Å; K583-I588 WeakPolarHBondContact O-CD1 3.49Å; T585-I588 PolarHBondContact O-N 3.27Å; L586-I588 VanDerWaalsContact C-N 3.33Å; L586-I588 PolarHBondContact O-N 2.91Å; I588-Q590 VanDerWaalsContact C-N 3.32Å; I588-Q590 PolarHBondContact O-N 3.19Å; I588-A591 PolarHBondContact O-N 3Å; I588-L592 HydrophobicContact CG2-CD1 3.68Å; I588-L592 HydrophobicContact CG2-CG 4.24Å; I588-L592 WeakPolarHBondContact O-CB 3.43Å; I588-L592 VanDerWaalsContact O-CG 3.31Å; I588-L592 WeakPolarHBondContact O-CG 3.25Å; I588-L592 PolarHBondContact O-N 2.85Å
589	C	85	Confident	79.4	Confident	58 Å²	58	51.3 Å²	51.3	39%	0.392	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-44.8	175.6	-73.2	0	0	0	0	111.7	T585 L586 I593	T585-C589 WeakPolarHBondContact O-CB 3.38Å; T585-C589 PolarHBondContact O-N 3.22Å; T585-C589 PolarHBondContact O-SG 3.29Å; L586-C589 PolarHBondContact O-N 3.04Å; C589-I593 WeakPolarHBondContact O-CB 3.34Å; C589-I593 WeakPolarHBondContact O-CD1 3.15Å; C589-I593 VanDerWaalsContact O-CG1 3.25Å; C589-I593 WeakPolarHBondContact O-CG1 3.08Å; C589-I593 PolarHBondContact O-N 3.05Å
590	Q	90.1	Very high	80.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-50.4	176.5	-177	-75.1	-42.2	0	0	111	S538 S541 L542 L586 I588 Q594 R673	S538-Q590 WeakPolarHBondContact O-CG 3.3Å; S541-Q590 PolarHBondContact OG-NE2 3.33Å; L542-Q590 HydrophobicContact CB-CB 4.14Å; L542-Q590 HydrophobicContact CB-CG 4.1Å; L586-Q590 VanDerWaalsContact O-CB 3.24Å; L586-Q590 WeakPolarHBondContact O-CB 3.47Å; L586-Q590 PolarHBondContact O-N 2.9Å; I588-Q590 VanDerWaalsContact C-N 3.32Å; I588-Q590 PolarHBondContact O-N 3.19Å; Q590-Q594 WeakPolarHBondContact O-CB 3.3Å; Q590-Q594 PolarHBondContact O-N 3.28Å; Q590-R673 VanDerWaalsContact OE1-CZ 3.3Å
591	A	88.1	Confident	82	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-38.6	-177.8	0	0	0	0	0	113.1	L575 L578 E587 I588 Q594 F595 F672	L575-A591 HydrophobicContact CD1-CB 4.38Å; L578-A591 HydrophobicContact CD2-CB 3.1Å; E587-A591 WeakPolarHBondContact O-CB 3.42Å; E587-A591 PolarHBondContact O-N 3.3Å; I588-A591 PolarHBondContact O-N 3Å; A591-Q594 PolarHBondContact O-N 3.12Å; A591-F595 WeakPolarHBondContact O-CB 3.4Å; A591-F595 PolarHBondContact O-N 3.41Å; A591-F672 HydrophobicContact CB-CE1 3.98Å; A591-F672 HydrophobicContact CB-CZ 4.18Å
592	L	89.8	Confident	83.3	Confident	47 Å²	47	42.4 Å²	42.4	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-50.8	175.1	-76.4	170.7	0	0	0	111.3	L575 L579 I588 Q594 F595 F596	L575-L592 HydrophobicContact CD1-CD2 3.88Å; L575-L592 HydrophobicContact CD1-CG 4.31Å; L575-L592 HydrophobicContact CD2-CD2 3.82Å; L575-L592 HydrophobicContact CG-CD2 4.21Å; L579-L592 HydrophobicContact CD2-CD1 4.23Å; L579-L592 HydrophobicContact CD2-CD2 4.21Å; L579-L592 HydrophobicContact CD2-CG 4.37Å; I588-L592 HydrophobicContact CG2-CD1 3.68Å; I588-L592 HydrophobicContact CG2-CG 4.24Å; I588-L592 WeakPolarHBondContact O-CB 3.43Å; I588-L592 VanDerWaalsContact O-CG 3.31Å; I588-L592 WeakPolarHBondContact O-CG 3.25Å; I588-L592 PolarHBondContact O-N 2.85Å; L592-Q594 VanDerWaalsContact C-N 3.29Å; L592-Q594 PolarHBondContact O-N 3.49Å; L592-F595 WeakPolarHBondContact O-CB 3.28Å; L592-F595 PolarHBondContact O-N 2.93Å; L592-F596 WeakPolarHBondContact O-CD2 3.29Å; L592-F596 PolarHBondContact O-N 2.97Å
593	I	91.8	Very high	84.8	Confident	48 Å²	48	39.6 Å²	39.6	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-39	-179.9	-68.7	167.2	0	0	0	110.2	L542 C545 I546 I549 C589 F596 F597	L542-I593 HydrophobicContact CD1-CB 4.32Å; L542-I593 HydrophobicContact CD1-CD1 3.42Å; L542-I593 VanDerWaalsContact CD1-CD1 3.42Å; L542-I593 HydrophobicContact CD1-CG1 4.42Å; C545-I593 HydrophobicContact CB-CG2 3.74Å; I546-I593 HydrophobicContact CG1-CG2 4.49Å; I549-I593 HydrophobicContact CD1-CG2 3.75Å; C589-I593 WeakPolarHBondContact O-CB 3.34Å; C589-I593 WeakPolarHBondContact O-CD1 3.15Å; C589-I593 VanDerWaalsContact O-CG1 3.25Å; C589-I593 WeakPolarHBondContact O-CG1 3.08Å; C589-I593 PolarHBondContact O-N 3.05Å; I593-F596 PolarHBondContact O-N 3.41Å; I593-F597 VanDerWaalsContact O-CB 3.27Å; I593-F597 WeakPolarHBondContact O-CB 3.44Å; I593-F597 PolarHBondContact O-N 3.47Å
594	Q	93.3	Very high	86	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-43.5	174.4	-173.6	-173.3	-17.2	0	0	112.4	Q590 A591 L592 F597 I598 N628	Q590-Q594 WeakPolarHBondContact O-CB 3.3Å; Q590-Q594 PolarHBondContact O-N 3.28Å; A591-Q594 PolarHBondContact O-N 3.12Å; L592-Q594 VanDerWaalsContact C-N 3.29Å; L592-Q594 PolarHBondContact O-N 3.49Å; Q594-F597 WeakPolarHBondContact O-CB 3.43Å; Q594-F597 PolarHBondContact O-N 2.96Å; Q594-I598 HydrophobicContact CG-CD1 4.07Å; Q594-I598 WeakPolarHBondContact O-CG1 3.4Å; Q594-I598 PolarHBondContact O-N 3.12Å; Q594-N628 PolarHBondContact NE2-ND2 3.39Å; Q594-N628 PolarHBondContact NE2-OD1 3.45Å; Q594-N628 PolarHBondContact OE1-OD1 3.44Å; Q594-N628 VanDerWaalsContact OE1-OD1 3.06Å
595	F	92	Very high	86.7	Confident	22 Å²	22	38.6 Å²	38.6	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-56.7	-53.5	175.5	170.9	-92.1	0	0	0	110.9	L571 T572 L575 A591 L592 F597 I598 V599	L571-F595 HydrophobicContact CB-CD2 4.28Å; L571-F595 HydrophobicContact CB-CE2 4.07Å; L571-F595 HydrophobicContact CD2-CD2 3.36Å; L571-F595 HydrophobicContact CD2-CE2 3.75Å; L571-F595 HydrophobicContact CD2-CG 4.32Å; L571-F595 HydrophobicContact CG-CD2 3.58Å; L571-F595 HydrophobicContact CG-CE2 3.89Å; T572-F595 WeakPolarHBondContact OG1-CE2 3.44Å; T572-F595 WeakPolarHBondContact OG1-CZ 3.48Å; L575-F595 HydrophobicContact CB-CD2 4.49Å; L575-F595 HydrophobicContact CD2-CB 4.05Å; L575-F595 HydrophobicContact CD2-CD1 3.89Å; L575-F595 HydrophobicContact CD2-CD2 3.94Å; L575-F595 HydrophobicContact CD2-CE1 4.35Å; L575-F595 HydrophobicContact CD2-CE2 4.41Å; L575-F595 HydrophobicContact CD2-CG 3.68Å; A591-F595 WeakPolarHBondContact O-CB 3.4Å; A591-F595 PolarHBondContact O-N 3.41Å; L592-F595 WeakPolarHBondContact O-CB 3.28Å; L592-F595 PolarHBondContact O-N 2.93Å; F595-F597 VanDerWaalsContact C-N 3.3Å; F595-F597 PolarHBondContact O-N 2.77Å; F595-I598 PolarHBondContact O-N 3.24Å; F595-V599 HydrophobicContact CD1-CG2 4.45Å; F595-V599 HydrophobicContact CE1-CG2 4.05Å; F595-V599 HydrophobicContact CE2-CG2 4.18Å; F595-V599 HydrophobicContact CZ-CG2 3.89Å; F595-V599 WeakPolarHBondContact O-CG2 3.27Å; F595-V599 PolarHBondContact O-N 3.35Å
596	F	92	Very high	87.2	Confident	129 Å²	129	33.9 Å²	33.9	57%	0.566	17%	0.165	S	C	*	.	H	α-helix	trans	-61	-40.3	178.7	-72.8	-62.7	0	0	0	111.8	L592 I593 V599 E600	L592-F596 WeakPolarHBondContact O-CD2 3.29Å; L592-F596 PolarHBondContact O-N 2.97Å; I593-F596 PolarHBondContact O-N 3.41Å; F596-V599 PolarHBondContact O-N 3.47Å; F596-E600 WeakPolarHBondContact O-CB 3.46Å; F596-E600 PolarHBondContact O-N 3.48Å
597	F	93.4	Very high	87.1	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-47.4	174.9	169.7	-110.8	0	0	0	112.4	G548 I549 T552 I593 Q594 F595 T601 I621 L624 L680	G548-F597 WeakPolarHBondContact O-CE2 3.35Å; I549-F597 HydrophobicContact CB-CD2 4.48Å; I549-F597 HydrophobicContact CD1-CB 4.24Å; I549-F597 HydrophobicContact CG1-CB 3.87Å; I549-F597 HydrophobicContact CG1-CD2 3.67Å; I549-F597 HydrophobicContact CG1-CG 4.19Å; T552-F597 HydrophobicContact CG2-CE2 3.88Å; T552-F597 HydrophobicContact CG2-CZ 4.29Å; I593-F597 VanDerWaalsContact O-CB 3.27Å; I593-F597 WeakPolarHBondContact O-CB 3.44Å; I593-F597 PolarHBondContact O-N 3.47Å; Q594-F597 WeakPolarHBondContact O-CB 3.43Å; Q594-F597 PolarHBondContact O-N 2.96Å; F595-F597 VanDerWaalsContact C-N 3.3Å; F595-F597 PolarHBondContact O-N 2.77Å; F597-T601 WeakPolarHBondContact CD2-OG1 3.46Å; F597-T601 WeakPolarHBondContact CE2-OG1 3.44Å; F597-T601 WeakPolarHBondContact O-CB 3.29Å; F597-T601 PolarHBondContact O-N 3.27Å; F597-T601 PolarHBondContact O-OG1 3.17Å; F597-I621 HydrophobicContact CZ-CG1 4.04Å; F597-L624 HydrophobicContact CD1-CD1 3.94Å; F597-L624 HydrophobicContact CE1-CD1 3.5Å; F597-L624 HydrophobicContact CZ-CD1 4.16Å; F597-L680 HydrophobicContact CD1-CD2 4.49Å; F597-L680 HydrophobicContact CE1-CD2 3.94Å
598	I	92.7	Very high	87	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-47.4	179.5	-71	169.6	0	0	0	110.4	Y568 L571 Q594 F595 S602 C679 L680 L683	Y568-I598 HydrophobicContact CE1-CG2 4.26Å; L571-I598 HydrophobicContact CD2-CB 4.42Å; L571-I598 HydrophobicContact CD2-CD1 4.45Å; L571-I598 HydrophobicContact CD2-CG2 4.16Å; Q594-I598 HydrophobicContact CG-CD1 4.07Å; Q594-I598 WeakPolarHBondContact O-CG1 3.4Å; Q594-I598 PolarHBondContact O-N 3.12Å; F595-I598 PolarHBondContact O-N 3.24Å; I598-S602 WeakPolarHBondContact O-CB 3.47Å; I598-S602 PolarHBondContact O-N 3.33Å; I598-S602 PolarHBondContact O-OG 3.33Å; I598-C679 HydrophobicContact CD1-CB 4.48Å; I598-C679 HydrophobicContact CG2-CB 3.68Å; I598-L680 HydrophobicContact CD1-CG 4.16Å; I598-L680 HydrophobicContact CG1-CD2 4.11Å; I598-L680 HydrophobicContact CG1-CG 4.27Å; I598-L683 HydrophobicContact CG2-CD1 4.35Å
599	V	90.4	Very high	86.9	Confident	30 Å²	30	37.5 Å²	37.5	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-50.1	179.6	174.5	0	0	0	0	110.5	Y568 F595 F596 T601 S602 R603	Y568-V599 HydrophobicContact CD1-CG2 3.83Å; Y568-V599 HydrophobicContact CG-CG2 4.26Å; F595-V599 HydrophobicContact CD1-CG2 4.45Å; F595-V599 HydrophobicContact CE1-CG2 4.05Å; F595-V599 HydrophobicContact CE2-CG2 4.18Å; F595-V599 HydrophobicContact CZ-CG2 3.89Å; F595-V599 WeakPolarHBondContact O-CG2 3.27Å; F595-V599 PolarHBondContact O-N 3.35Å; F596-V599 PolarHBondContact O-N 3.47Å; V599-T601 PolarHBondContact O-N 2.89Å; V599-S602 PolarHBondContact O-N 2.73Å; V599-S602 PolarHBondContact O-OG 3.16Å; V599-R603 WeakPolarHBondContact O-CG 3.39Å; V599-R603 PolarHBondContact O-N 3.11Å
600	E	89.6	Confident	86.3	Confident	60 Å²	60	36.5 Å²	36.5	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-41.2	-178.8	-176.8	59.5	-161.9	0	0	112	F596 S602 R603 R604	F596-E600 WeakPolarHBondContact O-CB 3.46Å; F596-E600 PolarHBondContact O-N 3.48Å; E600-S602 VanDerWaalsContact C-N 3.31Å; E600-S602 PolarHBondContact O-N 2.84Å; E600-R603 PolarHBondContact O-N 3.35Å; E600-R604 WeakPolarHBondContact O-CG 3.14Å; E600-R604 IonicContact OE1-CZ 3.75Å; E600-R604 IonicContact OE1-NE 3.49Å; E600-R604 PolarHBondContact OE1-NE 3.1Å; E600-R604 IonicContact OE1-NH2 3.54Å; E600-R604 PolarHBondContact OE1-NH2 3.21Å
601	T	89.6	Confident	85.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-34.3	176.9	-53.1	0	0	0	0	111.7	T552 F597 V599 R603 R604 I621 L683 L687	T552-T601 HydrophobicContact CG2-CG2 3.97Å; F597-T601 WeakPolarHBondContact CD2-OG1 3.46Å; F597-T601 WeakPolarHBondContact CE2-OG1 3.44Å; F597-T601 WeakPolarHBondContact O-CB 3.29Å; F597-T601 PolarHBondContact O-N 3.27Å; F597-T601 PolarHBondContact O-OG1 3.17Å; V599-T601 PolarHBondContact O-N 2.89Å; T601-R603 PolarHBondContact O-N 3.43Å; T601-R604 WeakPolarHBondContact O-CB 3.45Å; T601-R604 PolarHBondContact O-N 2.95Å; T601-I621 HydrophobicContact CG2-CD1 4.3Å; T601-L683 HydrophobicContact CG2-CD1 4.06Å; T601-L683 HydrophobicContact CG2-CD2 3.97Å; T601-L683 HydrophobicContact CG2-CG 4.49Å; T601-L687 HydrophobicContact CG2-CD1 4.31Å; T601-L687 HydrophobicContact CG2-CD2 3.67Å
602	S	87.1	Confident	85.1	Confident	15 Å²	15	37.8 Å²	37.8	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-26	176.6	72.9	0	0	0	0	113.9	Y568 I598 V599 E600 R604	Y568-S602 WeakPolarHBondContact CE1-OG 3.34Å; Y568-S602 VanDerWaalsContact CZ-CB 3.45Å; Y568-S602 WeakPolarHBondContact OH-CB 3.34Å; Y568-S602 PolarHBondContact OH-OG 3.22Å; I598-S602 WeakPolarHBondContact O-CB 3.47Å; I598-S602 PolarHBondContact O-N 3.33Å; I598-S602 PolarHBondContact O-OG 3.33Å; V599-S602 PolarHBondContact O-N 2.73Å; V599-S602 PolarHBondContact O-OG 3.16Å; E600-S602 VanDerWaalsContact C-N 3.31Å; E600-S602 PolarHBondContact O-N 2.84Å; S602-R604 PolarHBondContact O-N 3.46Å
603	R	84.6	Confident	84.2	Confident	90 Å²	90	41 Å²	41	34%	0.34	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	10.6	171.5	-62	178.3	79.7	171.5	10	112	F557 H558 L560 V599 E600 T601	F557-R603 CarbonylContact C-O 3.58Å; F557-R603 WeakPolarHBondContact CA-O 3.37Å; F557-R603 HydrophobicContact CD2-CB 4.15Å; F557-R603 HydrophobicContact CE2-CB 3.91Å; F557-R603 HydrophobicContact CZ-CB 4.44Å; H558-R603 PolarHBondContact N-O 3.49Å; L560-R603 HydrophobicContact CD1-CG 3.35Å; L560-R603 HydrophobicContact CG-CG 3.77Å; V599-R603 WeakPolarHBondContact O-CG 3.39Å; V599-R603 PolarHBondContact O-N 3.11Å; E600-R603 PolarHBondContact O-N 3.35Å; T601-R603 PolarHBondContact O-N 3.43Å
604	R	84.2	Confident	83.4	Confident	27 Å²	27	39.3 Å²	39.3	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.2	-179	-69.4	170.9	-176.1	-93.5	2.4	111.7	T552 N553 L555 K556 E600 T601 S602 L687	T552-R604 WeakPolarHBondContact O-CD 3.46Å; T552-R604 PolarHBondContact O-NH1 3.11Å; N553-R604 PolarHBondContact O-NH1 3.33Å; N553-R604 PolarHBondContact OD1-NH2 3.26Å; L555-R604 HydrophobicContact CB-CB 3.72Å; L555-R604 HydrophobicContact CB-CG 4.2Å; L555-R604 HydrophobicContact CD1-CB 4.29Å; L555-R604 PolarHBondContact O-NH1 2.99Å; K556-R604 CarbonylContact O-C 3.42Å; K556-R604 VanDerWaalsContact O-CA 3.24Å; K556-R604 WeakPolarHBondContact O-CA 3.4Å; E600-R604 WeakPolarHBondContact O-CG 3.14Å; E600-R604 IonicContact OE1-CZ 3.75Å; E600-R604 IonicContact OE1-NE 3.49Å; E600-R604 PolarHBondContact OE1-NE 3.1Å; E600-R604 IonicContact OE1-NH2 3.54Å; E600-R604 PolarHBondContact OE1-NH2 3.21Å; T601-R604 WeakPolarHBondContact O-CB 3.45Å; T601-R604 PolarHBondContact O-N 2.95Å; S602-R604 PolarHBondContact O-N 3.46Å; R604-L687 HydrophobicContact CB-CD1 4.3Å; R604-L687 WeakPolarHBondContact O-CD1 3.3Å
605	K	80.4	Confident	82.9	Confident	72 Å²	72	41.6 Å²	41.6	31%	0.313	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.5	173	-73.1	-174.5	176.3	168.3	0	110.5	K556 H558 C607	K556-K605 PolarHBondContact N-O 2.82Å; K556-K605 VanDerWaalsContact N-O 3.1Å; K556-K605 PolarHBondContact O-N 3.39Å; H558-K605 HydrophobicContact CB-CB 4.49Å; H558-K605 HydrophobicContact CB-CD 4.07Å; H558-K605 HydrophobicContact CB-CG 4.04Å; H558-K605 WeakPolarHBondContact CD2-CE 3.45Å; H558-K605 PolarHBondContact CD2-NZ 2.94Å; H558-K605 PolarHBondContact CE1-NZ 2.99Å; H558-K605 VanDerWaalsContact CE1-NZ 3.34Å; H558-K605 PolarHBondContact NE2-NZ 3.33Å; K605-C607 PolarHBondContact O-N 3.18Å
606	V	81.3	Confident	82.4	Confident	17 Å²	17	40.6 Å²	40.6	10%	0.103	20%	0.196	C	C	.	.			trans	-63.3	130.9	169.4	165.1	0	0	0	0	109.6	L555 C608 Q611 S612 L687 Y688 L690	L555-V606 HydrophobicContact CD2-CG2 3.92Å; V606-C608 WeakPolarHBondContact CG1-O 3.12Å; V606-Q611 HydrophobicContact CB-CB 4.47Å; V606-Q611 HydrophobicContact CG1-CB 3.81Å; V606-Q611 HydrophobicContact CG2-CB 4.34Å; V606-S612 VanDerWaalsContact CG1-N 3.27Å; V606-L687 WeakPolarHBondContact CG2-O 3.33Å; V606-Y688 HydrophobicContact CG2-CD1 4.02Å; V606-L690 HydrophobicContact CG1-CD2 3.66Å; V606-L690 HydrophobicContact CG1-CG 4.45Å
607	C	75.5	Confident	82.1	Confident	56 Å²	56	34.5 Å²	34.5	38%	0.378	17%	0.169	S	C	.	.			trans	-93.7	-24	177.9	67.8	0	0	0	0	114.4	C432 K556 K605 Q611	C432-C607 PolarHBondContact SG-SG 2.85Å; K556-C607 HydrophobicContact CB-CB 3.88Å; K556-C607 HydrophobicContact CD-CB 4.06Å; K605-C607 PolarHBondContact O-N 3.18Å; C607-Q611 VanDerWaalsContact N-OE1 3.09Å; C607-Q611 PolarHBondContact SG-NE2 3.22Å; C607-Q611 PolarHBondContact SG-OE1 3.15Å
608	C	76.3	Confident	81.8	Confident	27 Å²	27	36.4 Å²	36.4	18%	0.182	18%	0.176	C	C	.	.	S	Bend	trans	-147.7	160.7	-178.7	47.7	0	0	0	0	112.4	C432 V606 N610 Q611 S612	C432-C608 HydrophobicContact CB-CB 4.36Å; C432-C608 WeakPolarHBondContact CB-SG 3.21Å; C432-C608 WeakPolarHBondContact SG-CB 3.25Å; C432-C608 CovalentContact SG-SG 2.08Å; C432-C608 PolarHBondContact SG-SG 3.36Å; V606-C608 WeakPolarHBondContact CG1-O 3.12Å; C608-N610 PolarHBondContact O-N 2.84Å; C608-N610 VanDerWaalsContact O-N 3.08Å; C608-Q611 PolarHBondContact O-N 3.24Å; C608-S612 PolarHBondContact O-N 3.48Å
609	L	77.5	Confident	81.5	Confident	87 Å²	87	38 Å²	38	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-52.8	-33	179	-169.8	70.6	0	0	0	112.7	S612 R613 L690	L609-S612 WeakPolarHBondContact O-CB 3.09Å; L609-S612 PolarHBondContact O-N 3.35Å; L609-R613 WeakPolarHBondContact O-CB 3.36Å; L609-R613 VanDerWaalsContact O-CG 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.38Å; L609-R613 PolarHBondContact O-N 2.67Å; L609-L690 HydrophobicContact CB-CD1 4.34Å; L609-L690 HydrophobicContact CD1-CD1 3.41Å; L609-L690 VanDerWaalsContact CD1-CD1 3.41Å; L609-L690 HydrophobicContact CG-CD1 4.48Å
610	N	71.7	Confident	81.5	Confident	37 Å²	37	37.3 Å²	37.3	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-46.6	175.2	-169	24.2	0	0	0	112.3	L448 C608 S612 R613 I614	L448-N610 VanDerWaalsContact CD1-OD1 3.32Å; L448-N610 WeakPolarHBondContact CD1-OD1 3.27Å; L448-N610 WeakPolarHBondContact CD2-OD1 3.5Å; C608-N610 PolarHBondContact O-N 2.84Å; C608-N610 VanDerWaalsContact O-N 3.08Å; N610-S612 VanDerWaalsContact C-N 3.33Å; N610-S612 PolarHBondContact O-N 3.49Å; N610-R613 PolarHBondContact O-N 3Å; N610-I614 WeakPolarHBondContact O-CB 3.32Å; N610-I614 VanDerWaalsContact O-CG1 3.31Å; N610-I614 WeakPolarHBondContact O-CG1 3.08Å; N610-I614 PolarHBondContact O-N 3.3Å; N610-I614 WeakPolarHBondContact OD1-CD1 3.39Å
611	Q	75.9	Confident	81.6	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-33.6	174.9	-75.3	-172.6	-4.4	0	0	112.1	H435 Q554 V606 C607 C608 R613 I614 K615 P616	H435-Q611 PolarHBondContact NE2-NE2 3.49Å; Q554-Q611 PolarHBondContact O-NE2 3.27Å; V606-Q611 HydrophobicContact CB-CB 4.47Å; V606-Q611 HydrophobicContact CG1-CB 3.81Å; V606-Q611 HydrophobicContact CG2-CB 4.34Å; C607-Q611 VanDerWaalsContact N-OE1 3.09Å; C607-Q611 PolarHBondContact SG-NE2 3.22Å; C607-Q611 PolarHBondContact SG-OE1 3.15Å; C608-Q611 PolarHBondContact O-N 3.24Å; Q611-R613 VanDerWaalsContact C-N 3.27Å; Q611-R613 PolarHBondContact O-N 2.95Å; Q611-I614 PolarHBondContact O-N 2.78Å; Q611-K615 PolarHBondContact O-N 3.06Å; Q611-P616 WeakPolarHBondContact O-CD 3.49Å
612	S	77.3	Confident	81.7	Confident	22 Å²	22	34.6 Å²	34.6	15%	0.154	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-37.4	172.1	-170.6	0	0	0	0	111.4	V606 C608 L609 N610 K615 Y688	V606-S612 VanDerWaalsContact CG1-N 3.27Å; C608-S612 PolarHBondContact O-N 3.48Å; L609-S612 WeakPolarHBondContact O-CB 3.09Å; L609-S612 PolarHBondContact O-N 3.35Å; N610-S612 VanDerWaalsContact C-N 3.33Å; N610-S612 PolarHBondContact O-N 3.49Å; S612-K615 VanDerWaalsContact O-CE 3.3Å; S612-K615 WeakPolarHBondContact O-CE 3.45Å; S612-K615 WeakPolarHBondContact O-CG 3.37Å; S612-Y688 PolarHBondContact OG-O 3.42Å
613	R	70.5	Confident	82	Confident	115 Å²	115	35 Å²	35	43%	0.434	17%	0.17	S	C	.	.	H	α-helix	trans	-75.8	-44.5	177.3	-72.6	175.4	178.5	-174.9	-0.9	112.5	L609 N610 Q611 K615	L609-R613 WeakPolarHBondContact O-CB 3.36Å; L609-R613 VanDerWaalsContact O-CG 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.38Å; L609-R613 PolarHBondContact O-N 2.67Å; N610-R613 PolarHBondContact O-N 3Å; Q611-R613 VanDerWaalsContact C-N 3.27Å; Q611-R613 PolarHBondContact O-N 2.95Å; R613-K615 VanDerWaalsContact C-N 3.35Å
614	I	76.3	Confident	82.4	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.062	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-35.9	-178.2	-67.8	168.8	0	0	0	111.2	Y438 L448 R492 N610 Q611	Y438-I614 HydrophobicContact CD1-CG2 3.82Å; Y438-I614 HydrophobicContact CD2-CG2 4.4Å; Y438-I614 HydrophobicContact CE1-CG2 4.22Å; Y438-I614 HydrophobicContact CG-CG2 3.91Å; L448-I614 HydrophobicContact CD1-CD1 4.04Å; L448-I614 HydrophobicContact CD1-CG1 3.87Å; R492-I614 VanDerWaalsContact NH1-CA 3.29Å; R492-I614 PolarHBondContact NH1-O 3.06Å; N610-I614 WeakPolarHBondContact O-CB 3.32Å; N610-I614 VanDerWaalsContact O-CG1 3.31Å; N610-I614 WeakPolarHBondContact O-CG1 3.08Å; N610-I614 PolarHBondContact O-N 3.3Å; N610-I614 WeakPolarHBondContact OD1-CD1 3.39Å; Q611-I614 PolarHBondContact O-N 2.78Å
615	K	83.1	Confident	82.8	Confident	47 Å²	47	30.8 Å²	30.8	20%	0.204	16%	0.156	C	C	.	.			trans	50.4	60.5	-176.3	-54.3	-176.5	-172.2	171.6	0	112.2	Q611 S612 R613 G617 R618 Y688	Q611-K615 PolarHBondContact O-N 3.06Å; S612-K615 VanDerWaalsContact O-CE 3.3Å; S612-K615 WeakPolarHBondContact O-CE 3.45Å; S612-K615 WeakPolarHBondContact O-CG 3.37Å; R613-K615 VanDerWaalsContact C-N 3.35Å; K615-G617 PolarHBondContact O-N 3.22Å; K615-R618 HydrophobicContact CB-CB 3.94Å; K615-R618 VanDerWaalsContact O-CB 3.31Å; K615-R618 WeakPolarHBondContact O-CB 3.34Å; K615-R618 PolarHBondContact O-N 2.95Å; K615-Y688 VanDerWaalsContact C-CE1 3.46Å; K615-Y688 VanDerWaalsContact CA-CD1 3.5Å; K615-Y688 HydrophobicContact CB-CD1 3.69Å; K615-Y688 HydrophobicContact CB-CD2 4.38Å; K615-Y688 HydrophobicContact CB-CE1 3.75Å; K615-Y688 HydrophobicContact CB-CE2 4.41Å; K615-Y688 HydrophobicContact CB-CG 4Å; K615-Y688 HydrophobicContact CD-CG 4.27Å; K615-Y688 HydrophobicContact CG-CD1 3.88Å; K615-Y688 HydrophobicContact CG-CD2 4.47Å; K615-Y688 HydrophobicContact CG-CE1 4.45Å; K615-Y688 HydrophobicContact CG-CG 3.87Å
616	P	81.1	Confident	83.5	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.013	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.5	-175.9	26.5	-35.6	0	0	0	111	Y438 L555 Q611 R618 Y688	Y438-P616 HydrophobicContact CE2-CB 4.12Å; L555-P616 HydrophobicContact CD1-CG 4.46Å; L555-P616 HydrophobicContact CD2-CG 3.75Å; L555-P616 HydrophobicContact CG-CG 3.97Å; Q611-P616 WeakPolarHBondContact O-CD 3.49Å; P616-R618 VanDerWaalsContact C-N 3.28Å; P616-R618 PolarHBondContact O-N 3.21Å; P616-Y688 WeakPolarHBondContact O-CE1 3.47Å; P616-Y688 PolarHBondContact O-OH 3.47Å
617	G	84.9	Confident	84	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.01	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-0.8	-179.9	0	0	0	0	0	116.4	K615 S619 I620 I621	K615-G617 PolarHBondContact O-N 3.22Å; G617-S619 PolarHBondContact O-N 2.85Å; G617-I620 PolarHBondContact O-N 3.17Å; G617-I620 VanDerWaalsContact O-N 3.09Å; G617-I621 WeakPolarHBondContact O-CG1 3.36Å; G617-I621 PolarHBondContact O-N 3.31Å
618	R	88	Confident	84.9	Confident	41 Å²	41	24.5 Å²	24.5	16%	0.155	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-43.2	-173.1	-177	174.9	-179.5	90.7	-3.8	113.1	K615 P616 I620 I621 V622 W684 Y688	K615-R618 HydrophobicContact CB-CB 3.94Å; K615-R618 VanDerWaalsContact O-CB 3.31Å; K615-R618 WeakPolarHBondContact O-CB 3.34Å; K615-R618 PolarHBondContact O-N 2.95Å; P616-R618 VanDerWaalsContact C-N 3.28Å; P616-R618 PolarHBondContact O-N 3.21Å; R618-I620 VanDerWaalsContact C-N 3.27Å; R618-I620 PolarHBondContact O-N 3.25Å; R618-I621 PolarHBondContact O-N 3.22Å; R618-V622 WeakPolarHBondContact O-CG2 3.24Å; R618-V622 PolarHBondContact O-N 3.04Å; R618-V622 VanDerWaalsContact O-N 3.1Å; R618-W684 VanDerWaalsContact CZ-CD1 3.47Å; R618-W684 PolarHBondContact NH1-O 3.23Å; R618-Y688 VanDerWaalsContact CA-OH 3.22Å; R618-Y688 WeakPolarHBondContact CA-OH 3.41Å; R618-Y688 HydrophobicContact CB-CE2 3.79Å; R618-Y688 HydrophobicContact CG-CE2 3.9Å; R618-Y688 PolarHBondContact N-OH 3.48Å; R618-Y688 VanDerWaalsContact NH1-CD2 3.33Å
619	S	85.9	Confident	85.7	Confident	35 Å²	35	25.9 Å²	25.9	25%	0.245	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-39.4	178	51.6	0	0	0	0	111.5	R492 G496 G617 F623	R492-S619 WeakPolarHBondContact O-CB 3.2Å; G496-S619 WeakPolarHBondContact CA-O 3.37Å; G617-S619 PolarHBondContact O-N 2.85Å; S619-F623 VanDerWaalsContact O-CB 3.3Å; S619-F623 WeakPolarHBondContact O-CB 3.44Å; S619-F623 PolarHBondContact O-N 3.26Å
620	I	90	Very high	86.3	Confident	14 Å²	14	21.8 Å²	21.8	7%	0.072	11%	0.105	C	C	.	.	H	α-helix	trans	-68.8	-44.1	178.3	-61	-176.9	0	0	0	111.3	A544 M547 Q551 G617 R618 V622 F623 L624	A544-I620 WeakPolarHBondContact O-CG2 3.48Å; M547-I620 VanDerWaalsContact C-CD1 3.47Å; M547-I620 HydrophobicContact CB-CD1 3.52Å; Q551-I620 HydrophobicContact CB-CD1 4.4Å; Q551-I620 HydrophobicContact CG-CD1 4.04Å; Q551-I620 VanDerWaalsContact NE2-CD1 3.34Å; Q551-I620 VanDerWaalsContact OE1-CD1 3.25Å; G617-I620 PolarHBondContact O-N 3.17Å; G617-I620 VanDerWaalsContact O-N 3.09Å; R618-I620 VanDerWaalsContact C-N 3.27Å; R618-I620 PolarHBondContact O-N 3.25Å; I620-V622 VanDerWaalsContact C-N 3.28Å; I620-V622 PolarHBondContact O-N 3.48Å; I620-F623 PolarHBondContact O-N 3.38Å; I620-L624 HydrophobicContact CG2-CD1 3.78Å; I620-L624 HydrophobicContact CG2-CG 4.13Å; I620-L624 WeakPolarHBondContact O-CB 3.33Å; I620-L624 WeakPolarHBondContact O-CG 3.46Å; I620-L624 PolarHBondContact O-N 2.79Å
621	I	92.6	Very high	87.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-44.8	177.8	-66.2	170.5	0	0	0	110.2	T552 F597 T601 G617 R618 L624 L625 L680 L683 W684 L687	T552-I621 HydrophobicContact CG2-CD1 4.44Å; F597-I621 HydrophobicContact CZ-CG1 4.04Å; T601-I621 HydrophobicContact CG2-CD1 4.3Å; G617-I621 WeakPolarHBondContact O-CG1 3.36Å; G617-I621 PolarHBondContact O-N 3.31Å; R618-I621 PolarHBondContact O-N 3.22Å; I621-L624 PolarHBondContact O-N 3.2Å; I621-L625 WeakPolarHBondContact O-CB 3.47Å; I621-L625 PolarHBondContact O-N 2.94Å; I621-L680 HydrophobicContact CG2-CD2 4.38Å; I621-L683 HydrophobicContact CG2-CB 4.23Å; I621-W684 HydrophobicContact CG2-CB 4.06Å; I621-L687 HydrophobicContact CD1-CD2 3.59Å
622	V	91.9	Very high	87.9	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-66.8	-41.8	178	176.6	0	0	0	0	111.7	L497 R618 I620 L625 I626 W684	L497-V622 HydrophobicContact CB-CG1 3.9Å; L497-V622 HydrophobicContact CD1-CG1 3.88Å; R618-V622 WeakPolarHBondContact O-CG2 3.24Å; R618-V622 PolarHBondContact O-N 3.04Å; R618-V622 VanDerWaalsContact O-N 3.1Å; I620-V622 VanDerWaalsContact C-N 3.28Å; I620-V622 PolarHBondContact O-N 3.48Å; V622-L625 WeakPolarHBondContact O-CB 3.49Å; V622-L625 PolarHBondContact O-N 3.35Å; V622-I626 HydrophobicContact CG1-CD1 4.39Å; V622-I626 PolarHBondContact O-N 3.05Å; V622-W684 HydrophobicContact CG2-CD2 4.26Å; V622-W684 HydrophobicContact CG2-CG 3.94Å; V622-W684 VanDerWaalsContact CG2-NE1 3.28Å
623	F	92.3	Very high	88.4	Confident	25 Å²	25	22.1 Å²	22.1	11%	0.11	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-47.3	176.2	176.8	-101	0	0	0	111.9	L499 L503 I540 A544 S619 I620 L625 I626 C627	L499-F623 HydrophobicContact CB-CD2 3.81Å; L499-F623 HydrophobicContact CB-CE2 3.78Å; L503-F623 HydrophobicContact CD1-CE2 3.44Å; L503-F623 VanDerWaalsContact CD1-CE2 3.44Å; L503-F623 HydrophobicContact CD1-CZ 3.38Å; I540-F623 HydrophobicContact CG2-CE1 3.86Å; I540-F623 HydrophobicContact CG2-CZ 3.53Å; A544-F623 HydrophobicContact CB-CD1 3.61Å; A544-F623 HydrophobicContact CB-CE1 3.6Å; S619-F623 VanDerWaalsContact O-CB 3.3Å; S619-F623 WeakPolarHBondContact O-CB 3.44Å; S619-F623 PolarHBondContact O-N 3.26Å; I620-F623 PolarHBondContact O-N 3.38Å; F623-L625 VanDerWaalsContact C-N 3.3Å; F623-L625 PolarHBondContact O-N 2.87Å; F623-I626 PolarHBondContact O-N 2.97Å; F623-C627 WeakPolarHBondContact CE1-SG 3.21Å; F623-C627 WeakPolarHBondContact CZ-SG 3.27Å; F623-C627 WeakPolarHBondContact O-CB 3.17Å; F623-C627 PolarHBondContact O-N 3.34Å; F623-C627 PolarHBondContact O-SG 3.02Å
624	L	93.6	Very high	89.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-37	176.5	-78.4	173.8	0	0	0	112.2	A544 C545 F597 I620 I621 C627 N628 L680	A544-L624 HydrophobicContact CB-CD2 3.51Å; A544-L624 HydrophobicContact CB-CG 3.92Å; C545-L624 VanDerWaalsContact SG-CD2 3.59Å; F597-L624 HydrophobicContact CD1-CD1 3.94Å; F597-L624 HydrophobicContact CE1-CD1 3.5Å; F597-L624 HydrophobicContact CZ-CD1 4.16Å; I620-L624 HydrophobicContact CG2-CD1 3.78Å; I620-L624 HydrophobicContact CG2-CG 4.13Å; I620-L624 WeakPolarHBondContact O-CB 3.33Å; I620-L624 WeakPolarHBondContact O-CG 3.46Å; I620-L624 PolarHBondContact O-N 2.79Å; I621-L624 PolarHBondContact O-N 3.2Å; L624-C627 PolarHBondContact O-N 3.16Å; L624-N628 WeakPolarHBondContact O-CB 3.33Å; L624-N628 PolarHBondContact O-N 3.14Å; L624-N628 PolarHBondContact O-ND2 3.09Å; L624-L680 HydrophobicContact CB-CD1 4.08Å; L624-L680 HydrophobicContact CB-CD2 4.3Å
625	L	93.9	Very high	89.4	Confident	27 Å²	27	16.4 Å²	16.4	14%	0.141	8%	0.081	C	C	.	.	H	α-helix	trans	-57.4	-50.7	175.2	-178.2	164.7	0	0	0	110.2	I621 V622 F623 N628 L629 T677 L680 A681	I621-L625 WeakPolarHBondContact O-CB 3.47Å; I621-L625 PolarHBondContact O-N 2.94Å; V622-L625 WeakPolarHBondContact O-CB 3.49Å; V622-L625 PolarHBondContact O-N 3.35Å; F623-L625 VanDerWaalsContact C-N 3.3Å; F623-L625 PolarHBondContact O-N 2.87Å; L625-N628 PolarHBondContact O-N 3.44Å; L625-L629 PolarHBondContact O-N 3.41Å; L625-T677 HydrophobicContact CD2-CG2 4.29Å; L625-T677 HydrophobicContact CG-CG2 4.26Å; L625-L680 HydrophobicContact CB-CB 4.02Å; L625-L680 HydrophobicContact CG-CB 4.35Å; L625-A681 HydrophobicContact CD1-CB 3.71Å
626	I	93.6	Very high	89.4	Confident	11 Å²	11	14.7 Å²	14.7	6%	0.056	7%	0.074	C	C	.	.	H	α-helix	trans	-71.3	-38.5	-178.6	-57.8	164.2	0	0	0	111.5	L497 G500 I501 L504 V622 F623 N628 L629 A630	L497-I626 HydrophobicContact CB-CD1 4.46Å; L497-I626 HydrophobicContact CD1-CD1 3.93Å; L497-I626 HydrophobicContact CG-CD1 4.17Å; L497-I626 VanDerWaalsContact O-CD1 3.29Å; L497-I626 WeakPolarHBondContact O-CD1 3.48Å; G500-I626 WeakPolarHBondContact O-CG2 3.44Å; I501-I626 HydrophobicContact CG1-CD1 4.18Å; L504-I626 HydrophobicContact CB-CG2 3.86Å; L504-I626 HydrophobicContact CD2-CG2 4.21Å; L504-I626 HydrophobicContact CG-CG2 4.48Å; V622-I626 HydrophobicContact CG1-CD1 4.39Å; V622-I626 PolarHBondContact O-N 3.05Å; F623-I626 PolarHBondContact O-N 2.97Å; I626-N628 VanDerWaalsContact C-N 3.27Å; I626-N628 PolarHBondContact O-N 2.93Å; I626-L629 WeakPolarHBondContact O-CB 3.37Å; I626-L629 PolarHBondContact O-N 2.97Å; I626-A630 PolarHBondContact O-N 2.97Å
627	C	93.3	Very high	89.3	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-38.3	174.5	-69.4	0	0	0	0	111.9	F623 L624 A630 L631	F623-C627 WeakPolarHBondContact CE1-SG 3.21Å; F623-C627 WeakPolarHBondContact CZ-SG 3.27Å; F623-C627 WeakPolarHBondContact O-CB 3.17Å; F623-C627 PolarHBondContact O-N 3.34Å; F623-C627 PolarHBondContact O-SG 3.02Å; L624-C627 PolarHBondContact O-N 3.16Å; C627-A630 WeakPolarHBondContact O-CB 3.36Å; C627-A630 PolarHBondContact O-N 2.92Å; C627-L631 WeakPolarHBondContact O-CG 3.3Å; C627-L631 PolarHBondContact O-N 3.38Å
628	N	93.3	Very high	88.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.1	-36.2	175.7	-87.6	-82.8	0	0	0	113	Q594 L624 L625 I626 A630 L631 W632 T677 L680	Q594-N628 PolarHBondContact NE2-ND2 3.39Å; Q594-N628 PolarHBondContact NE2-OD1 3.45Å; Q594-N628 PolarHBondContact OE1-OD1 3.44Å; Q594-N628 VanDerWaalsContact OE1-OD1 3.06Å; L624-N628 WeakPolarHBondContact O-CB 3.33Å; L624-N628 PolarHBondContact O-N 3.14Å; L624-N628 PolarHBondContact O-ND2 3.09Å; L625-N628 PolarHBondContact O-N 3.44Å; I626-N628 VanDerWaalsContact C-N 3.27Å; I626-N628 PolarHBondContact O-N 2.93Å; N628-A630 VanDerWaalsContact C-N 3.31Å; N628-A630 PolarHBondContact O-N 3.41Å; N628-L631 PolarHBondContact O-N 3.44Å; N628-W632 VanDerWaalsContact O-CB 3.29Å; N628-W632 WeakPolarHBondContact O-CB 3.49Å; N628-W632 PolarHBondContact O-N 3.48Å; N628-T677 WeakPolarHBondContact CB-OG1 3.45Å; N628-L680 HydrophobicContact CB-CD1 4.38Å
629	L	92.5	Very high	87.4	Confident	57 Å²	57	15.7 Å²	15.7	30%	0.298	8%	0.08	S	C	.	.	H	α-helix	trans	-61.8	-40.9	172	-171	68.8	0	0	0	111.2	L625 I626 W632 L633 T677	L625-L629 PolarHBondContact O-N 3.41Å; I626-L629 WeakPolarHBondContact O-CB 3.37Å; I626-L629 PolarHBondContact O-N 2.97Å; L629-W632 HydrophobicContact CD1-CE3 3.7Å; L629-W632 HydrophobicContact CD1-CZ3 4.09Å; L629-W632 WeakPolarHBondContact O-CB 3.42Å; L629-W632 PolarHBondContact O-N 2.76Å; L629-L633 WeakPolarHBondContact O-CG 3.34Å; L629-L633 PolarHBondContact O-N 2.75Å; L629-T677 HydrophobicContact CB-CG2 4.32Å; L629-T677 HydrophobicContact CD1-CG2 4.39Å
630	A	91.6	Very high	86.3	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-47	173.9	0	0	0	0	0	112.1	L504 S507 L537 I626 C627 N628 W632 L633 V634	L504-A630 HydrophobicContact CD1-CB 3.76Å; S507-A630 WeakPolarHBondContact OG-CB 3.35Å; L537-A630 HydrophobicContact CD2-CB 4.24Å; I626-A630 PolarHBondContact O-N 2.97Å; C627-A630 WeakPolarHBondContact O-CB 3.36Å; C627-A630 PolarHBondContact O-N 2.92Å; N628-A630 VanDerWaalsContact C-N 3.31Å; N628-A630 PolarHBondContact O-N 3.41Å; A630-W632 VanDerWaalsContact C-N 3.28Å; A630-W632 PolarHBondContact O-N 2.99Å; A630-L633 PolarHBondContact O-N 2.83Å; A630-V634 WeakPolarHBondContact O-CG2 3.42Å; A630-V634 PolarHBondContact O-N 3.06Å
631	L	90.3	Very high	84.8	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-36.6	175.2	-75.4	169.2	0	0	0	112.4	L537 C627 N628 N635	L537-L631 HydrophobicContact CB-CD2 3.74Å; L537-L631 HydrophobicContact CB-CG 4.32Å; L537-L631 HydrophobicContact CD1-CD2 4.44Å; C627-L631 WeakPolarHBondContact O-CG 3.3Å; C627-L631 PolarHBondContact O-N 3.38Å; N628-L631 PolarHBondContact O-N 3.44Å; L631-N635 VanDerWaalsContact O-CB 3.28Å; L631-N635 WeakPolarHBondContact O-CB 3.08Å; L631-N635 PolarHBondContact O-N 2.92Å
632	W	90.6	Very high	83	Confident	36 Å²	36	18.5 Å²	18.5	14%	0.136	9%	0.094	C	C	.	.	H	α-helix	trans	-65.2	-44.9	175.3	172.7	70.3	0	0	0	111.8	F182 N628 L629 A630 N635 T636 I670 R673 F674	F182-W632 HydrophobicContact CE1-CH2 4.28Å; F182-W632 AromaticContact CE1-CZ2 3.68Å; F182-W632 HydrophobicContact CE1-CZ2 3.68Å; F182-W632 HydrophobicContact CZ-CH2 4.3Å; F182-W632 AromaticContact CZ-CZ2 3.59Å; F182-W632 HydrophobicContact CZ-CZ2 3.59Å; N628-W632 VanDerWaalsContact O-CB 3.29Å; N628-W632 WeakPolarHBondContact O-CB 3.49Å; N628-W632 PolarHBondContact O-N 3.48Å; L629-W632 HydrophobicContact CD1-CE3 3.7Å; L629-W632 HydrophobicContact CD1-CZ3 4.09Å; L629-W632 WeakPolarHBondContact O-CB 3.42Å; L629-W632 PolarHBondContact O-N 2.76Å; A630-W632 VanDerWaalsContact C-N 3.28Å; A630-W632 PolarHBondContact O-N 2.99Å; W632-N635 PolarHBondContact O-N 3.32Å; W632-T636 WeakPolarHBondContact O-CB 3.32Å; W632-T636 PolarHBondContact O-N 3.46Å; W632-T636 PolarHBondContact O-OG1 3.26Å; W632-I670 VanDerWaalsContact NE1-CG2 3.32Å; W632-R673 HydrophobicContact CB-CB 3.77Å; W632-R673 HydrophobicContact CG-CB 4.39Å; W632-F674 HydrophobicContact CG-CB 4.48Å
633	L	87.9	Confident	81.3	Confident	35 Å²	35	19 Å²	19	18%	0.183	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-49.7	175.3	-72.8	172.1	0	0	0	111.7	L504 I508 L629 A630 N635 T636 F637	L504-L633 HydrophobicContact CD1-CD1 3.8Å; I508-L633 HydrophobicContact CG1-CD1 4.41Å; L629-L633 WeakPolarHBondContact O-CG 3.34Å; L629-L633 PolarHBondContact O-N 2.75Å; A630-L633 PolarHBondContact O-N 2.83Å; L633-N635 VanDerWaalsContact C-N 3.26Å; L633-N635 PolarHBondContact O-N 3Å; L633-T636 PolarHBondContact O-N 3.27Å; L633-T636 VanDerWaalsContact O-N 3.11Å; L633-F637 HydrophobicContact CD2-CD2 4.38Å; L633-F637 HydrophobicContact CD2-CE2 3.84Å; L633-F637 VanDerWaalsContact O-CD2 3.3Å; L633-F637 WeakPolarHBondContact O-CD2 3.31Å; L633-F637 PolarHBondContact O-N 3.47Å
634	V	84.9	Confident	79.5	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-54.8	-44.2	174.3	160	0	0	0	0	110.8	Y530 L537 A630 T636 E638	Y530-V634 HydrophobicContact CE2-CG1 3.96Å; L537-V634 HydrophobicContact CD1-CG2 4.06Å; A630-V634 WeakPolarHBondContact O-CG2 3.42Å; A630-V634 PolarHBondContact O-N 3.06Å; V634-T636 VanDerWaalsContact C-N 3.33Å; V634-T636 PolarHBondContact O-N 2.65Å; V634-E638 VanDerWaalsContact CG1-OE2 3.24Å; V634-E638 WeakPolarHBondContact CG1-OE2 3.4Å; V634-E638 WeakPolarHBondContact O-CB 3.41Å; V634-E638 PolarHBondContact O-N 3.04Å
635	N	81.4	Confident	77.5	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-68.7	-32.3	179.6	-75.5	-13.1	0	0	0	113.8	K534 L631 W632 L633 V639 I670 R673	K534-N635 PolarHBondContact NZ-OD1 3.21Å; L631-N635 VanDerWaalsContact O-CB 3.28Å; L631-N635 WeakPolarHBondContact O-CB 3.08Å; L631-N635 PolarHBondContact O-N 2.92Å; W632-N635 PolarHBondContact O-N 3.32Å; L633-N635 VanDerWaalsContact C-N 3.26Å; L633-N635 PolarHBondContact O-N 3Å; N635-V639 VanDerWaalsContact CA-CG2 3.44Å; N635-V639 HydrophobicContact CB-CG2 3.97Å; N635-V639 WeakPolarHBondContact O-CB 3.27Å; N635-V639 WeakPolarHBondContact O-CG2 3.45Å; N635-V639 WeakPolarHBondContact OD1-CG2 3.32Å; N635-I670 HydrophobicContact CB-CG1 4.09Å; N635-R673 WeakPolarHBondContact ND2-CG 3.28Å
636	T	83.2	Confident	75.8	Confident	11 Å²	11	24.6 Å²	24.6	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-74.1	-43.1	-179.7	-56.4	0	0	0	0	111.5	P349 W632 L633 V634 I670	P349-T636 HydrophobicContact CB-CG2 4.12Å; P349-T636 HydrophobicContact CG-CG2 4.36Å; W632-T636 WeakPolarHBondContact O-CB 3.32Å; W632-T636 PolarHBondContact O-N 3.46Å; W632-T636 PolarHBondContact O-OG1 3.26Å; L633-T636 PolarHBondContact O-N 3.27Å; L633-T636 VanDerWaalsContact O-N 3.11Å; V634-T636 VanDerWaalsContact C-N 3.33Å; V634-T636 PolarHBondContact O-N 2.65Å; T636-I670 WeakPolarHBondContact OG1-CG2 3.42Å
637	F	79.2	Confident	74.1	Confident	62 Å²	62	28.2 Å²	28.2	27%	0.272	15%	0.153	S	C	.	.	H	α-helix	trans	-100.2	-29	-170.2	-65.2	-66	0	0	0	114.8	F346 M511 L633	F346-F637 HydrophobicContact CD1-CD1 4.24Å; M511-F637 HydrophobicContact CG-CB 4.17Å; M511-F637 HydrophobicContact SD-CB 3.73Å; M511-F637 HydrophobicContact SD-CD2 3.53Å; M511-F637 VanDerWaalsContact SD-CD2 3.53Å; M511-F637 HydrophobicContact SD-CE2 4.44Å; M511-F637 HydrophobicContact SD-CG 3.86Å; L633-F637 HydrophobicContact CD2-CD2 4.38Å; L633-F637 HydrophobicContact CD2-CE2 3.84Å; L633-F637 VanDerWaalsContact O-CD2 3.3Å; L633-F637 WeakPolarHBondContact O-CD2 3.31Å; L633-F637 PolarHBondContact O-N 3.47Å
638	E	70.5	Confident	72.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-33.4	-172.1	-56	-175.2	129.1	0	0	113.8	M511 F514 Y530 V634 R640 S641 A642	M511-E638 WeakPolarHBondContact CA-OE1 3.04Å; M511-E638 HydrophobicContact CG-CG 4.03Å; F514-E638 VanDerWaalsContact CB-OE1 3.28Å; F514-E638 WeakPolarHBondContact CB-OE1 3.38Å; F514-E638 HydrophobicContact CD1-CB 4.08Å; F514-E638 HydrophobicContact CD1-CG 3.78Å; F514-E638 HydrophobicContact CE1-CB 3.97Å; F514-E638 HydrophobicContact CE1-CG 4.18Å; F514-E638 HydrophobicContact CG-CG 4.19Å; F514-E638 HydrophobicContact CZ-CB 4.38Å; Y530-E638 HydrophobicContact CD2-CB 3.36Å; Y530-E638 HydrophobicContact CD2-CG 4.14Å; Y530-E638 WeakPolarHBondContact CD2-OE2 3.44Å; Y530-E638 HydrophobicContact CE2-CB 3.43Å; Y530-E638 VanDerWaalsContact CE2-CB 3.43Å; Y530-E638 HydrophobicContact CE2-CG 4.48Å; Y530-E638 HydrophobicContact CG-CB 4.48Å; V634-E638 VanDerWaalsContact CG1-OE2 3.24Å; V634-E638 WeakPolarHBondContact CG1-OE2 3.4Å; V634-E638 WeakPolarHBondContact O-CB 3.41Å; V634-E638 PolarHBondContact O-N 3.04Å; E638-R640 VanDerWaalsContact C-N 3.33Å; E638-R640 PolarHBondContact O-N 3.18Å; E638-S641 PolarHBondContact O-N 2.9Å; E638-S641 VanDerWaalsContact O-N 3.11Å; E638-A642 PolarHBondContact O-N 3.36Å
639	V	63	Low	71.4	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-43	-170.8	168.8	0	0	0	0	112.7	Y530 N635 S641 A642 E643 I666	Y530-V639 HydrophobicContact CE2-CG2 4.47Å; Y530-V639 WeakPolarHBondContact OH-CG2 3.12Å; N635-V639 VanDerWaalsContact CA-CG2 3.44Å; N635-V639 HydrophobicContact CB-CG2 3.97Å; N635-V639 WeakPolarHBondContact O-CB 3.27Å; N635-V639 WeakPolarHBondContact O-CG2 3.45Å; N635-V639 WeakPolarHBondContact OD1-CG2 3.32Å; V639-S641 PolarHBondContact O-N 3.45Å; V639-A642 PolarHBondContact O-N 3.11Å; V639-E643 VanDerWaalsContact CG1-CD 3.45Å; V639-E643 HydrophobicContact CG1-CG 3.94Å; V639-E643 WeakPolarHBondContact CG1-OE1 3.47Å; V639-E643 WeakPolarHBondContact O-CB 3.2Å; V639-E643 WeakPolarHBondContact O-CG 3.35Å; V639-E643 PolarHBondContact O-N 2.87Å; V639-I666 HydrophobicContact CG1-CD1 3.6Å; V639-I666 HydrophobicContact CG1-CG1 3.63Å; V639-I666 HydrophobicContact CG1-CG2 4.27Å
640	R	62.8	Low	70.2	Confident	47 Å²	47	36.3 Å²	36.3	18%	0.177	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-45.3	-179.4	-179.2	178.8	166.8	139	-0.9	111.6	E265 E638 A642 T644	E265-R640 IonicContact OE2-CZ 3.57Å; E265-R640 IonicContact OE2-NH1 3.99Å; E265-R640 PolarHBondContact OE2-NH1 2.95Å; E265-R640 IonicContact OE2-NH2 2.74Å; E265-R640 PolarHBondContact OE2-NH2 2.65Å; E638-R640 VanDerWaalsContact C-N 3.33Å; E638-R640 PolarHBondContact O-N 3.18Å; R640-A642 VanDerWaalsContact C-N 3.32Å; R640-A642 PolarHBondContact O-N 3.17Å; R640-T644 WeakPolarHBondContact O-CB 3.19Å; R640-T644 PolarHBondContact O-N 3.45Å; R640-T644 PolarHBondContact O-OG1 3Å
641	S	59.6	Low	69.1	Low	54 Å²	54	44.1 Å²	44.1	38%	0.378	22%	0.224	S	C	.	.	H	α-helix	trans	-68.1	-33.9	-178.5	-70.9	0	0	0	0	111.7	F514 E638 V639 Q645	F514-S641 VanDerWaalsContact CE1-CB 3.49Å; E638-S641 PolarHBondContact O-N 2.9Å; E638-S641 VanDerWaalsContact O-N 3.11Å; V639-S641 PolarHBondContact O-N 3.45Å; S641-Q645 WeakPolarHBondContact O-CG 3.43Å; S641-Q645 PolarHBondContact O-NE2 3.32Å; S641-Q645 PolarHBondContact O-OE1 3.49Å
642	A	54.4	Low	68.4	Low	6 Å²	6	53 Å²	53	5%	0.05	26%	0.259	C	S	.	.	H	α-helix	trans	-82.4	-40.9	179.5	0	0	0	0	0	114	F514 Y530 E638 V639 R640 T644 Q645 L646	F514-A642 HydrophobicContact CZ-CB 4.49Å; Y530-A642 HydrophobicContact CD1-CB 3.24Å; Y530-A642 HydrophobicContact CD2-CB 4.3Å; Y530-A642 HydrophobicContact CE1-CB 3.3Å; Y530-A642 HydrophobicContact CE2-CB 4.36Å; Y530-A642 HydrophobicContact CG-CB 3.77Å; E638-A642 PolarHBondContact O-N 3.36Å; V639-A642 PolarHBondContact O-N 3.11Å; R640-A642 VanDerWaalsContact C-N 3.32Å; R640-A642 PolarHBondContact O-N 3.17Å; A642-T644 VanDerWaalsContact C-N 3.32Å; A642-T644 PolarHBondContact O-N 3.35Å; A642-Q645 WeakPolarHBondContact O-CA 3.47Å; A642-Q645 WeakPolarHBondContact O-CB 3.35Å; A642-Q645 PolarHBondContact O-N 2.96Å; A642-L646 PolarHBondContact O-N 2.87Å
643	E	55.6	Low	67.7	Low	15 Å²	15	55.3 Å²	55.3	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-72.9	-27.4	-178.5	-71.8	-172.1	-176.5	0	0	112.5	V639 Q645 L646 W658 T662 I666	V639-E643 VanDerWaalsContact CG1-CD 3.45Å; V639-E643 HydrophobicContact CG1-CG 3.94Å; V639-E643 WeakPolarHBondContact CG1-OE1 3.47Å; V639-E643 WeakPolarHBondContact O-CB 3.2Å; V639-E643 WeakPolarHBondContact O-CG 3.35Å; V639-E643 PolarHBondContact O-N 2.87Å; E643-Q645 PolarHBondContact O-N 3.04Å; E643-L646 PolarHBondContact O-N 3.41Å; E643-W658 PolarHBondContact O-NE1 2.84Å; E643-T662 HydrophobicContact CB-CG2 4.18Å; E643-T662 WeakPolarHBondContact OE2-CG2 3.27Å; E643-I666 WeakPolarHBondContact OE2-CD1 3.39Å
644	T	53.5	Low	67	Low	51 Å²	51	55.1 Å²	55.1	31%	0.313	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.3	168.9	-46.7	0	0	0	0	111.1	R640 A642 R650	R640-T644 WeakPolarHBondContact O-CB 3.19Å; R640-T644 PolarHBondContact O-N 3.45Å; R640-T644 PolarHBondContact O-OG1 3Å; A642-T644 VanDerWaalsContact C-N 3.32Å; A642-T644 PolarHBondContact O-N 3.35Å; T644-R650 PolarHBondContact O-NH2 3.24Å
645	Q	52.1	Low	66.4	Low	60 Å²	60	58.5 Å²	58.5	28%	0.28	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.6	-176.7	-69.4	171	-4.3	0	0	113.9	S641 A642 E643 S647	S641-Q645 WeakPolarHBondContact O-CG 3.43Å; S641-Q645 PolarHBondContact O-NE2 3.32Å; S641-Q645 PolarHBondContact O-OE1 3.49Å; A642-Q645 WeakPolarHBondContact O-CA 3.47Å; A642-Q645 WeakPolarHBondContact O-CB 3.35Å; A642-Q645 PolarHBondContact O-N 2.96Å; E643-Q645 PolarHBondContact O-N 3.04Å; Q645-S647 PolarHBondContact O-N 3.43Å
646	L	59.2	Low	66.2	Low	57 Å²	57	67.5 Å²	67.5	30%	0.298	33%	0.331	S	S	.	.			trans	-78.7	95	-177.4	-158	55.1	0	0	0	110.8	A642 E643 L648 Y649	A642-L646 PolarHBondContact O-N 2.87Å; E643-L646 PolarHBondContact O-N 3.41Å; L646-L648 VanDerWaalsContact C-N 3.32Å; L646-L648 PolarHBondContact O-N 3.45Å; L646-Y649 HydrophobicContact CB-CD2 4.46Å; L646-Y649 HydrophobicContact CD2-CD2 3.37Å; L646-Y649 HydrophobicContact CD2-CE2 3.28Å; L646-Y649 HydrophobicContact CG-CD2 3.83Å; L646-Y649 HydrophobicContact CG-CE2 4.13Å
647	S	58	Low	66.1	Low	87 Å²	87	70.3 Å²	70.3	61%	0.608	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-34.1	-175.2	51.8	0	0	0	0	113.5	Q645 R650 Q651	Q645-S647 PolarHBondContact O-N 3.43Å; S647-R650 PolarHBondContact O-N 3.31Å; S647-Q651 WeakPolarHBondContact O-CB 3.22Å; S647-Q651 PolarHBondContact O-N 3.06Å
648	L	63.6	Low	66.1	Low	115 Å²	115	68 Å²	68	60%	0.602	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-52.4	-175	-167.2	93.4	0	0	0	112.6	L646 Q651 Y652	L646-L648 VanDerWaalsContact C-N 3.32Å; L646-L648 PolarHBondContact O-N 3.45Å; L648-Q651 PolarHBondContact O-N 3.29Å; L648-Y652 PolarHBondContact O-N 3.19Å
649	Y	66.4	Low	66.3	Low	65 Å²	65	68.2 Å²	68.2	26%	0.255	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-35.7	-179.1	-63.2	-58.5	0	0	0	112.4	I582 L646 Q651 Y652 F653 W658	I582-Y649 PolarHBondContact O-OH 3.21Å; I582-Y649 VanDerWaalsContact O-OH 3.08Å; L646-Y649 HydrophobicContact CB-CD2 4.46Å; L646-Y649 HydrophobicContact CD2-CD2 3.37Å; L646-Y649 HydrophobicContact CD2-CE2 3.28Å; L646-Y649 HydrophobicContact CG-CD2 3.83Å; L646-Y649 HydrophobicContact CG-CE2 4.13Å; Y649-Q651 PolarHBondContact O-N 3.33Å; Y649-Y652 PolarHBondContact O-N 3.44Å; Y649-F653 HydrophobicContact CD1-CE2 4.19Å; Y649-F653 PolarHBondContact O-N 3.29Å; Y649-W658 AromaticContact CD2-CH2 3.73Å; Y649-W658 HydrophobicContact CD2-CH2 3.73Å; Y649-W658 AromaticContact CD2-CZ2 3.82Å; Y649-W658 HydrophobicContact CD2-CZ2 3.82Å; Y649-W658 HydrophobicContact CD2-CZ3 4.38Å; Y649-W658 HydrophobicContact CE2-CH2 4.42Å; Y649-W658 HydrophobicContact CG-CE3 4.47Å; Y649-W658 AromaticContact CG-CH2 3.87Å; Y649-W658 HydrophobicContact CG-CH2 3.87Å; Y649-W658 HydrophobicContact CG-CZ2 4.14Å; Y649-W658 HydrophobicContact CG-CZ3 4.06Å
650	R	66.9	Low	67	Low	50 Å²	50	71.7 Å²	71.7	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-35.8	174.2	-174.1	-176.7	-68.3	-134.9	-6.9	111.6	T644 S647 G654 V655	T644-R650 PolarHBondContact O-NH2 3.24Å; S647-R650 PolarHBondContact O-N 3.31Å; R650-G654 CarbonylContact O-C 3.33Å; R650-G654 WeakPolarHBondContact O-CA 3.28Å; R650-G654 PolarHBondContact O-N 3.27Å; R650-G654 VanDerWaalsContact O-N 3.12Å; R650-V655 HydrophobicContact CG-CB 4.4Å; R650-V655 HydrophobicContact CG-CG2 3.76Å
651	Q	69	Low	67.8	Low	164 Å²	164	71.3 Å²	71.3	77%	0.766	36%	0.357	S	S	*	.	H	α-helix	trans	-71.6	-39.8	174.9	-173.2	176.5	3.6	0	0	111.9	S647 L648 Y649	S647-Q651 WeakPolarHBondContact O-CB 3.22Å; S647-Q651 PolarHBondContact O-N 3.06Å; L648-Q651 PolarHBondContact O-N 3.29Å; Y649-Q651 PolarHBondContact O-N 3.33Å
652	Y	73.7	Confident	68.6	Low	189 Å²	189	68.9 Å²	68.9	74%	0.741	34%	0.34	S	S	*	.	H	α-helix	trans	-74.7	-55	-178.7	-174.9	-94.8	0	0	0	113.6	L648 Y649	L648-Y652 PolarHBondContact O-N 3.19Å; Y649-Y652 PolarHBondContact O-N 3.44Å
653	F	76.1	Confident	69.8	Low	84 Å²	84	69.2 Å²	69.2	37%	0.368	34%	0.341	S	S	.	.	H	α-helix	trans	-84.2	-15.5	-177.1	-69.7	-71.6	0	0	0	113.4	Y649 T657 W658	Y649-F653 HydrophobicContact CD1-CE2 4.19Å; Y649-F653 PolarHBondContact O-N 3.29Å; F653-T657 HydrophobicContact CB-CG2 4.39Å; F653-T657 WeakPolarHBondContact O-CB 3.34Å; F653-T657 PolarHBondContact O-OG1 3Å; F653-T657 VanDerWaalsContact O-OG1 3.08Å; F653-W658 HydrophobicContact CB-CB 4.39Å; F653-W658 AromaticContact CD2-CE3 3.97Å; F653-W658 HydrophobicContact CD2-CE3 3.97Å; F653-W658 HydrophobicContact CD2-CZ3 4.38Å
654	G	74.6	Confident	70.9	Confident	30 Å²	30	70.7 Å²	70.7	31%	0.309	35%	0.352	S	S	.	.			trans	80.9	155.3	-168.3	0	0	0	0	0	112.4	R650 R656 W658	R650-G654 CarbonylContact O-C 3.33Å; R650-G654 WeakPolarHBondContact O-CA 3.28Å; R650-G654 PolarHBondContact O-N 3.27Å; R650-G654 VanDerWaalsContact O-N 3.12Å; G654-R656 VanDerWaalsContact C-N 3.29Å; G654-R656 PolarHBondContact O-N 2.96Å; G654-W658 WeakPolarHBondContact O-CB 3.43Å; G654-W658 PolarHBondContact O-N 3.24Å
655	V	72.5	Confident	72.3	Confident	73 Å²	73	70.5 Å²	70.5	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-56.5	-42.9	-176	-175.2	0	0	0	0	111.9	R650 S659	R650-V655 HydrophobicContact CG-CB 4.4Å; R650-V655 HydrophobicContact CG-CG2 3.76Å; V655-S659 WeakPolarHBondContact O-CB 3.42Å; V655-S659 PolarHBondContact O-N 2.88Å; V655-S659 PolarHBondContact O-OG 2.03Å; V655-S659 VanDerWaalsContact O-OG 3.12Å
656	R	76.4	Confident	73.6	Confident	194 Å²	194	67.8 Å²	67.8	73%	0.732	33%	0.334	S	S	*	.	H	α-helix	trans	-69.5	-50.9	-173.4	-53	-172.8	-166.3	154.2	4.6	112.2	L270 G654 S659 I660	L270-R656 HydrophobicContact CD2-CB 3.85Å; L270-R656 HydrophobicContact CD2-CG 3.89Å; G654-R656 VanDerWaalsContact C-N 3.29Å; G654-R656 PolarHBondContact O-N 2.96Å; R656-S659 PolarHBondContact O-N 3.08Å; R656-I660 WeakPolarHBondContact O-CG1 3.48Å; R656-I660 PolarHBondContact O-N 3.22Å; R656-I660 VanDerWaalsContact O-N 3.08Å
657	T	80.9	Confident	74.6	Confident	70 Å²	70	65.2 Å²	65.2	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-44.5	-179.3	-45.3	0	0	0	0	110.8	F653 I660 I661	F653-T657 HydrophobicContact CB-CG2 4.39Å; F653-T657 WeakPolarHBondContact O-CB 3.34Å; F653-T657 PolarHBondContact O-OG1 3Å; F653-T657 VanDerWaalsContact O-OG1 3.08Å; T657-I660 PolarHBondContact O-N 3.22Å; T657-I661 HydrophobicContact CG2-CD1 4Å; T657-I661 VanDerWaalsContact O-CG1 3.31Å; T657-I661 WeakPolarHBondContact O-CG1 3Å; T657-I661 PolarHBondContact O-N 3.2Å
658	W	79	Confident	75.8	Confident	14 Å²	14	62.4 Å²	62.4	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-45.2	178.4	-175.8	-115.6	0	0	0	111.9	L581 E643 Y649 F653 G654 I660 I661 T662	L581-W658 HydrophobicContact CD2-CH2 3.75Å; L581-W658 HydrophobicContact CD2-CZ3 3.82Å; E643-W658 PolarHBondContact O-NE1 2.84Å; Y649-W658 AromaticContact CD2-CH2 3.73Å; Y649-W658 HydrophobicContact CD2-CH2 3.73Å; Y649-W658 AromaticContact CD2-CZ2 3.82Å; Y649-W658 HydrophobicContact CD2-CZ2 3.82Å; Y649-W658 HydrophobicContact CD2-CZ3 4.38Å; Y649-W658 HydrophobicContact CE2-CH2 4.42Å; Y649-W658 HydrophobicContact CG-CE3 4.47Å; Y649-W658 AromaticContact CG-CH2 3.87Å; Y649-W658 HydrophobicContact CG-CH2 3.87Å; Y649-W658 HydrophobicContact CG-CZ2 4.14Å; Y649-W658 HydrophobicContact CG-CZ3 4.06Å; F653-W658 HydrophobicContact CB-CB 4.39Å; F653-W658 AromaticContact CD2-CE3 3.97Å; F653-W658 HydrophobicContact CD2-CE3 3.97Å; F653-W658 HydrophobicContact CD2-CZ3 4.38Å; G654-W658 WeakPolarHBondContact O-CB 3.43Å; G654-W658 PolarHBondContact O-N 3.24Å; W658-I660 PolarHBondContact O-N 3.27Å; W658-I661 HydrophobicContact CZ3-CG2 4.44Å; W658-I661 PolarHBondContact O-N 2.87Å; W658-T662 VanDerWaalsContact O-CB 3.28Å; W658-T662 WeakPolarHBondContact O-CB 3.47Å; W658-T662 PolarHBondContact O-N 3.23Å; W658-T662 PolarHBondContact O-OG1 3.37Å; W658-T662 VanDerWaalsContact O-OG1 3.09Å
659	S	74.2	Confident	76.7	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-49.1	174.3	-72.9	0	0	0	0	111.4	S269 V655 R656 I661 T662 Y663	S269-S659 PolarHBondContact OG-OG 2.83Å; V655-S659 WeakPolarHBondContact O-CB 3.42Å; V655-S659 PolarHBondContact O-N 2.88Å; V655-S659 PolarHBondContact O-OG 2.03Å; V655-S659 VanDerWaalsContact O-OG 3.12Å; R656-S659 PolarHBondContact O-N 3.08Å; S659-I661 PolarHBondContact O-N 3.48Å; S659-T662 PolarHBondContact O-N 2.91Å; S659-Y663 WeakPolarHBondContact O-CD2 3.48Å; S659-Y663 PolarHBondContact O-N 2.99Å
660	I	79	Confident	77.6	Confident	77 Å²	77	54.2 Å²	54.2	40%	0.395	26%	0.26	S	S	.	.	H	α-helix	trans	-56.7	-50.7	179.1	-65.9	162.7	0	0	0	111	V266 R656 T657 W658 Y663 C664	V266-I660 HydrophobicContact CG1-CG1 3.66Å; R656-I660 WeakPolarHBondContact O-CG1 3.48Å; R656-I660 PolarHBondContact O-N 3.22Å; R656-I660 VanDerWaalsContact O-N 3.08Å; T657-I660 PolarHBondContact O-N 3.22Å; W658-I660 PolarHBondContact O-N 3.27Å; I660-Y663 PolarHBondContact O-N 3.04Å; I660-C664 VanDerWaalsContact O-CB 3.32Å; I660-C664 WeakPolarHBondContact O-CB 3.37Å; I660-C664 PolarHBondContact O-N 3.25Å; I660-C664 PolarHBondContact O-SG 3.21Å
661	I	78.9	Confident	78.6	Confident	38 Å²	38	52.2 Å²	52.2	20%	0.195	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-55.4	179.1	-66.8	169.3	0	0	0	109.8	L581 T657 W658 S659 Y663 C664 F665	L581-I661 HydrophobicContact CD2-CG2 3.73Å; T657-I661 HydrophobicContact CG2-CD1 4Å; T657-I661 VanDerWaalsContact O-CG1 3.31Å; T657-I661 WeakPolarHBondContact O-CG1 3Å; T657-I661 PolarHBondContact O-N 3.2Å; W658-I661 HydrophobicContact CZ3-CG2 4.44Å; W658-I661 PolarHBondContact O-N 2.87Å; S659-I661 PolarHBondContact O-N 3.48Å; I661-Y663 PolarHBondContact O-N 3.46Å; I661-C664 PolarHBondContact O-N 2.99Å; I661-F665 HydrophobicContact CB-CD2 4.46Å; I661-F665 HydrophobicContact CG2-CD2 3.74Å; I661-F665 HydrophobicContact CG2-CE2 4.15Å; I661-F665 WeakPolarHBondContact O-CB 3.33Å; I661-F665 WeakPolarHBondContact O-CD2 3.32Å; I661-F665 PolarHBondContact O-N 3.29Å
662	T	77.4	Confident	79.5	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-54.8	-50.9	-178.3	-69.6	0	0	0	0	112.1	E643 W658 S659 C664 F665 I666	E643-T662 HydrophobicContact CB-CG2 4.18Å; E643-T662 WeakPolarHBondContact OE2-CG2 3.27Å; W658-T662 VanDerWaalsContact O-CB 3.28Å; W658-T662 WeakPolarHBondContact O-CB 3.47Å; W658-T662 PolarHBondContact O-N 3.23Å; W658-T662 PolarHBondContact O-OG1 3.37Å; W658-T662 VanDerWaalsContact O-OG1 3.09Å; S659-T662 PolarHBondContact O-N 2.91Å; T662-C664 PolarHBondContact O-N 2.91Å; T662-F665 PolarHBondContact O-N 2.9Å; T662-I666 HydrophobicContact CG2-CD1 3.28Å; T662-I666 HydrophobicContact CG2-CG1 4.03Å; T662-I666 VanDerWaalsContact O-CB 3.3Å; T662-I666 WeakPolarHBondContact O-CB 3.02Å; T662-I666 WeakPolarHBondContact O-CG1 3.04Å; T662-I666 PolarHBondContact O-N 3.48Å
663	Y	78.9	Confident	80.4	Confident	13 Å²	13	35.6 Å²	35.6	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-73.8	-24.5	-176.8	-73.2	-73.1	0	0	0	114.1	E265 V266 S269 S659 I660 I661 P667	E265-Y663 HydrophobicContact CB-CD1 3.78Å; E265-Y663 HydrophobicContact CB-CE1 4.19Å; E265-Y663 HydrophobicContact CB-CG 4.34Å; V266-Y663 HydrophobicContact CG2-CG 4.35Å; S269-Y663 WeakPolarHBondContact OG-CE2 3.49Å; S659-Y663 WeakPolarHBondContact O-CD2 3.48Å; S659-Y663 PolarHBondContact O-N 2.99Å; I660-Y663 PolarHBondContact O-N 3.04Å; I661-Y663 PolarHBondContact O-N 3.46Å; Y663-P667 WeakPolarHBondContact O-CD 3.27Å; Y663-P667 WeakPolarHBondContact O-CG 3.29Å
664	C	79.3	Confident	81.1	Confident	45 Å²	45	32.7 Å²	32.7	30%	0.304	17%	0.169	S	C	.	.	H	α-helix	trans	-76.4	-38.8	172.5	-71.5	0	0	0	0	112.6	I660 I661 T662	I660-C664 VanDerWaalsContact O-CB 3.32Å; I660-C664 WeakPolarHBondContact O-CB 3.37Å; I660-C664 PolarHBondContact O-N 3.25Å; I660-C664 PolarHBondContact O-SG 3.21Å; I661-C664 PolarHBondContact O-N 2.99Å; T662-C664 PolarHBondContact O-N 2.91Å
665	F	82.4	Confident	81.9	Confident	47 Å²	47	31.3 Å²	31.3	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-95.2	-31.1	-171.7	-71.5	-72.9	0	0	0	114.6	A577 Y580 L581 I661 T662 P667 L668 I669	A577-F665 HydrophobicContact CB-CD1 3.84Å; A577-F665 HydrophobicContact CB-CE1 4.35Å; A577-F665 VanDerWaalsContact O-CD1 3.31Å; A577-F665 WeakPolarHBondContact O-CD1 3.49Å; Y580-F665 HydrophobicContact CG-CE1 4.41Å; Y580-F665 HydrophobicContact CG-CZ 4.16Å; L581-F665 HydrophobicContact CD1-CB 3.95Å; I661-F665 HydrophobicContact CB-CD2 4.46Å; I661-F665 HydrophobicContact CG2-CD2 3.74Å; I661-F665 HydrophobicContact CG2-CE2 4.15Å; I661-F665 WeakPolarHBondContact O-CB 3.33Å; I661-F665 WeakPolarHBondContact O-CD2 3.32Å; I661-F665 PolarHBondContact O-N 3.29Å; T662-F665 PolarHBondContact O-N 2.9Å; F665-P667 VanDerWaalsContact C-CD 3.46Å; F665-P667 VanDerWaalsContact C-N 3.34Å; F665-L668 HydrophobicContact CD1-CD1 4.47Å; F665-L668 PolarHBondContact O-N 2.89Å; F665-L668 VanDerWaalsContact O-N 3.15Å; F665-I669 WeakPolarHBondContact O-CG1 3.34Å; F665-I669 PolarHBondContact O-N 2.82Å
666	I	79.9	Confident	82.9	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-50.2	-49.5	175.7	-75.6	173.5	0	0	0	111.8	V639 E643 T662 L668 I669 I670	V639-I666 HydrophobicContact CG1-CD1 3.6Å; V639-I666 HydrophobicContact CG1-CG1 3.63Å; V639-I666 HydrophobicContact CG1-CG2 4.27Å; E643-I666 WeakPolarHBondContact OE2-CD1 3.39Å; T662-I666 HydrophobicContact CG2-CD1 3.28Å; T662-I666 HydrophobicContact CG2-CG1 4.03Å; T662-I666 VanDerWaalsContact O-CB 3.3Å; T662-I666 WeakPolarHBondContact O-CB 3.02Å; T662-I666 WeakPolarHBondContact O-CG1 3.04Å; T662-I666 PolarHBondContact O-N 3.48Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 2.84Å; I666-I669 WeakPolarHBondContact O-CB 3.46Å; I666-I669 PolarHBondContact O-N 3.28Å; I666-I669 VanDerWaalsContact O-N 3.1Å; I666-I670 HydrophobicContact CG2-CD1 3.66Å; I666-I670 HydrophobicContact CG2-CG1 4.26Å; I666-I670 WeakPolarHBondContact O-CG1 3.42Å; I666-I670 PolarHBondContact O-N 3.31Å
667	P	79.6	Confident	83.7	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-34	-175.9	-16.5	29.6	0	0	0	112.5	V262 I352 Y663 F665 I669 I670 F671	V262-P667 HydrophobicContact CG2-CG 4.5Å; I352-P667 HydrophobicContact CB-CB 4.24Å; I352-P667 HydrophobicContact CD1-CB 3.68Å; I352-P667 HydrophobicContact CD1-CG 3.53Å; I352-P667 HydrophobicContact CG1-CB 4.49Å; I352-P667 HydrophobicContact CG2-CB 3.33Å; I352-P667 HydrophobicContact CG2-CG 4.34Å; Y663-P667 WeakPolarHBondContact O-CD 3.27Å; Y663-P667 WeakPolarHBondContact O-CG 3.29Å; F665-P667 VanDerWaalsContact C-CD 3.46Å; F665-P667 VanDerWaalsContact C-N 3.34Å; P667-I669 VanDerWaalsContact C-N 3.34Å; P667-I670 PolarHBondContact O-N 3.48Å; P667-F671 VanDerWaalsContact O-CB 3.27Å; P667-F671 WeakPolarHBondContact O-CB 3.19Å; P667-F671 PolarHBondContact O-N 3.46Å
668	L	82.7	Confident	84.3	Confident	29 Å²	29	16.1 Å²	16.1	15%	0.152	8%	0.083	C	C	.	.	H	α-helix	trans	-69.1	-33.1	174.7	-62.2	176.1	0	0	0	112.1	W258 L356 A577 F665 I666 F672	W258-L668 HydrophobicContact CZ2-CD2 4.24Å; L356-L668 HydrophobicContact CD1-CD2 4.36Å; A577-L668 HydrophobicContact CB-CB 3.44Å; A577-L668 VanDerWaalsContact CB-CB 3.44Å; A577-L668 HydrophobicContact CB-CD1 3.69Å; A577-L668 HydrophobicContact CB-CG 4.21Å; F665-L668 HydrophobicContact CD1-CD1 4.47Å; F665-L668 PolarHBondContact O-N 2.89Å; F665-L668 VanDerWaalsContact O-N 3.15Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 2.84Å; L668-F672 WeakPolarHBondContact O-CB 3.14Å; L668-F672 PolarHBondContact O-N 3.45Å
669	I	83.6	Confident	84.9	Confident	6 Å²	6	15.7 Å²	15.7	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-44	173.6	-68.5	164.6	0	0	0	111.1	L578 L581 F665 I666 P667 F671 F672 R673	L578-I669 HydrophobicContact CD1-CD1 4.11Å; L578-I669 HydrophobicContact CD1-CG1 4.02Å; L578-I669 HydrophobicContact CD1-CG2 4.48Å; L581-I669 HydrophobicContact CD1-CD1 3.67Å; F665-I669 WeakPolarHBondContact O-CG1 3.34Å; F665-I669 PolarHBondContact O-N 2.82Å; I666-I669 WeakPolarHBondContact O-CB 3.46Å; I666-I669 PolarHBondContact O-N 3.28Å; I666-I669 VanDerWaalsContact O-N 3.1Å; P667-I669 VanDerWaalsContact C-N 3.34Å; I669-F671 VanDerWaalsContact C-N 3.33Å; I669-F672 PolarHBondContact O-N 3.38Å; I669-R673 WeakPolarHBondContact O-CG 3.32Å; I669-R673 PolarHBondContact O-N 3.29Å; I669-R673 VanDerWaalsContact O-N 3.16Å
670	I	85.5	Confident	85.9	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-60.7	-48.5	175.8	-64.1	167.7	0	0	0	108.9	P349 E353 W632 N635 T636 I666 P667 F672 R673 F674	P349-I670 HydrophobicContact CB-CD1 4.32Å; E353-I670 HydrophobicContact CG-CG2 4.3Å; E353-I670 WeakPolarHBondContact OE1-CB 3.35Å; E353-I670 WeakPolarHBondContact OE1-CG2 3.27Å; W632-I670 VanDerWaalsContact NE1-CG2 3.32Å; N635-I670 HydrophobicContact CB-CG1 4.09Å; T636-I670 WeakPolarHBondContact OG1-CG2 3.42Å; I666-I670 HydrophobicContact CG2-CD1 3.66Å; I666-I670 HydrophobicContact CG2-CG1 4.26Å; I666-I670 WeakPolarHBondContact O-CG1 3.42Å; I666-I670 PolarHBondContact O-N 3.31Å; P667-I670 PolarHBondContact O-N 3.48Å; I670-F672 VanDerWaalsContact C-N 3.35Å; I670-F672 PolarHBondContact O-N 3.24Å; I670-R673 PolarHBondContact O-N 3.26Å; I670-R673 VanDerWaalsContact O-N 3.08Å; I670-F674 PolarHBondContact O-N 2.99Å
671	F	86.7	Confident	86.5	Confident	8 Å²	8	12 Å²	12	4%	0.035	6%	0.064	C	C	.	.	H	α-helix	trans	-58.2	-42.2	177	-178.5	-100.4	0	0	0	112.8	E353 L356 I357 L570 P667 I669 R673 F674 H675	E353-F671 WeakPolarHBondContact OE1-CA 3.14Å; E353-F671 PolarHBondContact OE1-N 2.96Å; E353-F671 WeakPolarHBondContact OE2-CA 3.4Å; E353-F671 WeakPolarHBondContact OE2-CD2 3.44Å; L356-F671 HydrophobicContact CB-CD2 3.87Å; L356-F671 HydrophobicContact CB-CE2 3.77Å; L356-F671 HydrophobicContact CB-CZ 4.41Å; L356-F671 HydrophobicContact CD1-CB 3.98Å; L356-F671 HydrophobicContact CD1-CD1 4.47Å; L356-F671 HydrophobicContact CD1-CD2 3.85Å; L356-F671 HydrophobicContact CD1-CE2 4.49Å; L356-F671 HydrophobicContact CD1-CG 3.84Å; I357-F671 HydrophobicContact CG1-CE2 4.06Å; L570-F671 HydrophobicContact CD1-CE1 3.57Å; L570-F671 HydrophobicContact CD1-CZ 3.7Å; L570-F671 HydrophobicContact CD2-CE1 4.12Å; L570-F671 HydrophobicContact CD2-CZ 3.66Å; L570-F671 HydrophobicContact CG-CE1 3.57Å; L570-F671 HydrophobicContact CG-CZ 3.65Å; P667-F671 VanDerWaalsContact O-CB 3.27Å; P667-F671 WeakPolarHBondContact O-CB 3.19Å; P667-F671 PolarHBondContact O-N 3.46Å; I669-F671 VanDerWaalsContact C-N 3.33Å; F671-R673 VanDerWaalsContact C-N 3.34Å; F671-R673 PolarHBondContact O-N 2.96Å; F671-F674 PolarHBondContact O-N 2.9Å; F671-H675 VanDerWaalsContact O-CB 3.26Å; F671-H675 WeakPolarHBondContact O-CB 3.22Å; F671-H675 PolarHBondContact O-N 3.14Å
672	F	89	Confident	87	Confident	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-43.9	174	171.7	-98.4	0	0	0	112.3	L571 L575 A591 L668 I669 I670 S676	L571-F672 HydrophobicContact CD1-CD2 3.73Å; L571-F672 HydrophobicContact CD1-CE2 3.58Å; L571-F672 HydrophobicContact CD1-CZ 4.49Å; L571-F672 HydrophobicContact CG-CD2 4.33Å; L571-F672 HydrophobicContact CG-CE2 3.97Å; L575-F672 HydrophobicContact CB-CD2 4.48Å; L575-F672 HydrophobicContact CB-CE2 4.17Å; A591-F672 HydrophobicContact CB-CE1 3.98Å; A591-F672 HydrophobicContact CB-CZ 4.18Å; L668-F672 WeakPolarHBondContact O-CB 3.14Å; L668-F672 PolarHBondContact O-N 3.45Å; I669-F672 PolarHBondContact O-N 3.38Å; I670-F672 VanDerWaalsContact C-N 3.35Å; I670-F672 PolarHBondContact O-N 3.24Å; F672-S676 VanDerWaalsContact O-CB 3.23Å; F672-S676 WeakPolarHBondContact O-CB 3.32Å; F672-S676 PolarHBondContact O-N 3.37Å; F672-S676 PolarHBondContact O-OG 3.22Å
673	R	91.7	Very high	87.7	Confident	3 Å²	3	11.6 Å²	11.6	1%	0.011	6%	0.061	C	C	.	.	H	α-helix	trans	-69.1	-40.6	179.4	-63.3	-60.2	179.4	177.7	0.9	111.8	Q590 W632 N635 I669 I670 F671 T677	Q590-R673 VanDerWaalsContact OE1-CZ 3.3Å; W632-R673 HydrophobicContact CB-CB 3.77Å; W632-R673 HydrophobicContact CG-CB 4.39Å; N635-R673 WeakPolarHBondContact ND2-CG 3.28Å; I669-R673 WeakPolarHBondContact O-CG 3.32Å; I669-R673 PolarHBondContact O-N 3.29Å; I669-R673 VanDerWaalsContact O-N 3.16Å; I670-R673 PolarHBondContact O-N 3.26Å; I670-R673 VanDerWaalsContact O-N 3.08Å; F671-R673 VanDerWaalsContact C-N 3.34Å; F671-R673 PolarHBondContact O-N 2.96Å; R673-T677 PolarHBondContact O-N 3.17Å; R673-T677 VanDerWaalsContact O-N 3.1Å; R673-T677 PolarHBondContact O-OG1 3.5Å
674	F	91.3	Very high	88.2	Confident	22 Å²	22	14.3 Å²	14.3	10%	0.096	7%	0.071	C	C	.	.	H	α-helix	trans	-60.9	-52.6	174	177.9	-102.6	0	0	0	111.1	F182 I357 W632 I670 F671 S676 T677 V678	F182-F674 HydrophobicContact CE2-CD1 4.19Å; F182-F674 AromaticContact CE2-CD2 3.94Å; F182-F674 HydrophobicContact CE2-CD2 3.94Å; F182-F674 AromaticContact CE2-CE1 3.96Å; F182-F674 HydrophobicContact CE2-CE1 3.96Å; F182-F674 AromaticContact CE2-CE2 3.69Å; F182-F674 HydrophobicContact CE2-CE2 3.69Å; F182-F674 HydrophobicContact CE2-CG 4.2Å; F182-F674 AromaticContact CE2-CZ 3.73Å; F182-F674 HydrophobicContact CE2-CZ 3.73Å; F182-F674 AromaticContact CZ-CD2 3.86Å; F182-F674 HydrophobicContact CZ-CD2 3.86Å; F182-F674 AromaticContact CZ-CE2 3.94Å; F182-F674 HydrophobicContact CZ-CE2 3.94Å; F182-F674 HydrophobicContact CZ-CG 4.27Å; F182-F674 HydrophobicContact CZ-CZ 4.43Å; I357-F674 HydrophobicContact CD1-CD1 4.06Å; I357-F674 HydrophobicContact CD1-CE1 3.54Å; I357-F674 HydrophobicContact CD1-CZ 4.23Å; I357-F674 HydrophobicContact CG1-CE1 4.29Å; W632-F674 HydrophobicContact CG-CB 4.48Å; I670-F674 PolarHBondContact O-N 2.99Å; F671-F674 PolarHBondContact O-N 2.9Å; F674-S676 PolarHBondContact O-N 3.01Å; F674-T677 WeakPolarHBondContact O-CA 3.31Å; F674-T677 VanDerWaalsContact O-CB 3.27Å; F674-T677 WeakPolarHBondContact O-CB 3.27Å; F674-T677 PolarHBondContact O-N 3.29Å; F674-V678 HydrophobicContact CD1-CG2 4.31Å; F674-V678 HydrophobicContact CE1-CG2 3.74Å; F674-V678 HydrophobicContact CE2-CG2 4.27Å; F674-V678 HydrophobicContact CZ-CG2 3.69Å; F674-V678 PolarHBondContact O-N 2.97Å
675	H	90.5	Very high	88.5	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.9	-39.4	-178.5	-170.8	56.1	0	0	0	112.3	M175 E567 F671 T677 V678 C679	M175-H675 WeakPolarHBondContact CE-CE1 3.42Å; M175-H675 WeakPolarHBondContact CE-ND1 3.42Å; E567-H675 PolarHBondContact O-NE2 3.28Å; F671-H675 VanDerWaalsContact O-CB 3.26Å; F671-H675 WeakPolarHBondContact O-CB 3.22Å; F671-H675 PolarHBondContact O-N 3.14Å; H675-T677 VanDerWaalsContact C-N 3.27Å; H675-T677 PolarHBondContact O-N 3.09Å; H675-V678 WeakPolarHBondContact O-CB 3.49Å; H675-V678 PolarHBondContact O-N 3.09Å; H675-V678 VanDerWaalsContact O-N 3.15Å; H675-C679 PolarHBondContact O-N 3.32Å; H675-C679 PolarHBondContact O-SG 2.9Å; H675-C679 VanDerWaalsContact O-SG 3.36Å
676	S	93.8	Very high	88.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.1	-39.8	171.8	-64.1	0	0	0	0	112.4	L571 F672 F674 C679 L680	L571-S676 WeakPolarHBondContact CD1-OG 3.2Å; F672-S676 VanDerWaalsContact O-CB 3.23Å; F672-S676 WeakPolarHBondContact O-CB 3.32Å; F672-S676 PolarHBondContact O-N 3.37Å; F672-S676 PolarHBondContact O-OG 3.22Å; F674-S676 PolarHBondContact O-N 3.01Å; S676-C679 PolarHBondContact O-N 3.25Å; S676-L680 WeakPolarHBondContact O-CB 3.45Å; S676-L680 VanDerWaalsContact O-CG 3.29Å; S676-L680 WeakPolarHBondContact O-CG 3.42Å; S676-L680 PolarHBondContact O-N 3.34Å
677	T	94.3	Very high	88.9	Confident	14 Å²	14	18.3 Å²	18.3	9%	0.086	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-42.9	176.1	-54.5	0	0	0	0	110.9	L625 N628 L629 R673 F674 H675 L680 A681	L625-T677 HydrophobicContact CD2-CG2 4.29Å; L625-T677 HydrophobicContact CG-CG2 4.26Å; N628-T677 WeakPolarHBondContact CB-OG1 3.45Å; L629-T677 HydrophobicContact CB-CG2 4.32Å; L629-T677 HydrophobicContact CD1-CG2 4.39Å; R673-T677 PolarHBondContact O-N 3.17Å; R673-T677 VanDerWaalsContact O-N 3.1Å; R673-T677 PolarHBondContact O-OG1 3.5Å; F674-T677 WeakPolarHBondContact O-CA 3.31Å; F674-T677 VanDerWaalsContact O-CB 3.27Å; F674-T677 WeakPolarHBondContact O-CB 3.27Å; F674-T677 PolarHBondContact O-N 3.29Å; H675-T677 VanDerWaalsContact C-N 3.27Å; H675-T677 PolarHBondContact O-N 3.09Å; T677-L680 PolarHBondContact O-N 2.9Å; T677-A681 WeakPolarHBondContact O-CB 3.38Å; T677-A681 PolarHBondContact O-N 3.2Å
678	V	92.7	Very high	89.1	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-60.9	-45	175.5	170.1	0	0	0	0	111.5	N172 M175 F674 H675 A681 E682	N172-V678 HydrophobicContact CB-CG1 4.45Å; N172-V678 WeakPolarHBondContact ND2-CG1 3.42Å; N172-V678 PolarHBondContact ND2-O 3.1Å; M175-V678 HydrophobicContact CB-CG1 4.05Å; M175-V678 HydrophobicContact CG-CG1 4.42Å; F674-V678 HydrophobicContact CD1-CG2 4.31Å; F674-V678 HydrophobicContact CE1-CG2 3.74Å; F674-V678 HydrophobicContact CE2-CG2 4.27Å; F674-V678 HydrophobicContact CZ-CG2 3.69Å; F674-V678 PolarHBondContact O-N 2.97Å; H675-V678 WeakPolarHBondContact O-CB 3.49Å; H675-V678 PolarHBondContact O-N 3.09Å; H675-V678 VanDerWaalsContact O-N 3.15Å; V678-A681 PolarHBondContact O-N 3.31Å; V678-E682 PolarHBondContact O-N 3.22Å
679	C	92.8	Very high	89	Confident	5 Å²	5	21.1 Å²	21.1	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-41.7	176.1	-66.4	0	0	0	0	112.2	I598 H675 S676 A681 E682 L683	I598-C679 HydrophobicContact CD1-CB 4.48Å; I598-C679 HydrophobicContact CG2-CB 3.68Å; H675-C679 PolarHBondContact O-N 3.32Å; H675-C679 PolarHBondContact O-SG 2.9Å; H675-C679 VanDerWaalsContact O-SG 3.36Å; S676-C679 PolarHBondContact O-N 3.25Å; C679-A681 VanDerWaalsContact C-N 3.33Å; C679-A681 PolarHBondContact O-N 3.26Å; C679-E682 WeakPolarHBondContact O-CB 3.28Å; C679-E682 PolarHBondContact O-N 2.88Å; C679-L683 WeakPolarHBondContact O-CG 3.46Å; C679-L683 PolarHBondContact O-N 3.02Å
680	L	94.1	Very high	88.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-37.5	176.5	-73.6	165.2	0	0	0	112.2	F597 I598 I621 L624 L625 N628 S676 T677 E682 L683 W684	F597-L680 HydrophobicContact CD1-CD2 4.49Å; F597-L680 HydrophobicContact CE1-CD2 3.94Å; I598-L680 HydrophobicContact CD1-CG 4.16Å; I598-L680 HydrophobicContact CG1-CD2 4.11Å; I598-L680 HydrophobicContact CG1-CG 4.27Å; I621-L680 HydrophobicContact CG2-CD2 4.38Å; L624-L680 HydrophobicContact CB-CD1 4.08Å; L624-L680 HydrophobicContact CB-CD2 4.3Å; L625-L680 HydrophobicContact CB-CB 4.02Å; L625-L680 HydrophobicContact CG-CB 4.35Å; N628-L680 HydrophobicContact CB-CD1 4.38Å; S676-L680 WeakPolarHBondContact O-CB 3.45Å; S676-L680 VanDerWaalsContact O-CG 3.29Å; S676-L680 WeakPolarHBondContact O-CG 3.42Å; S676-L680 PolarHBondContact O-N 3.34Å; T677-L680 PolarHBondContact O-N 2.9Å; L680-E682 VanDerWaalsContact C-N 3.33Å; L680-L683 HydrophobicContact CD2-CD1 4.44Å; L680-L683 PolarHBondContact O-N 2.79Å; L680-W684 WeakPolarHBondContact O-CB 3.24Å; L680-W684 PolarHBondContact O-N 3.45Å
681	A	92.3	Very high	87.3	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-35.6	174.9	0	0	0	0	0	112.3	Y174 L625 T677 V678 C679 W684 T685	Y174-A681 HydrophobicContact CD1-CB 4.03Å; Y174-A681 HydrophobicContact CD2-CB 3.48Å; Y174-A681 VanDerWaalsContact CD2-CB 3.48Å; Y174-A681 HydrophobicContact CE1-CB 4.02Å; Y174-A681 HydrophobicContact CE2-CB 3.47Å; Y174-A681 VanDerWaalsContact CE2-CB 3.47Å; Y174-A681 HydrophobicContact CG-CB 3.78Å; L625-A681 HydrophobicContact CD1-CB 3.71Å; T677-A681 WeakPolarHBondContact O-CB 3.38Å; T677-A681 PolarHBondContact O-N 3.2Å; V678-A681 PolarHBondContact O-N 3.31Å; C679-A681 VanDerWaalsContact C-N 3.33Å; C679-A681 PolarHBondContact O-N 3.26Å; A681-W684 PolarHBondContact O-N 3.22Å; A681-T685 WeakPolarHBondContact O-CG2 3.46Å; A681-T685 PolarHBondContact O-N 2.76Å; A681-T685 PolarHBondContact O-OG1 3Å
682	E	89.9	Confident	87.3	Confident	18 Å²	18	36.9 Å²	36.9	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-44.4	172.6	-175.8	164.8	178.6	0	0	112.6	N172 V678 C679 L680 W684 T685 K686	N172-E682 PolarHBondContact ND2-OE2 2.98Å; V678-E682 PolarHBondContact O-N 3.22Å; C679-E682 WeakPolarHBondContact O-CB 3.28Å; C679-E682 PolarHBondContact O-N 2.88Å; L680-E682 VanDerWaalsContact C-N 3.33Å; E682-W684 VanDerWaalsContact C-N 3.29Å; E682-W684 PolarHBondContact O-N 3.12Å; E682-T685 WeakPolarHBondContact CA-OG1 3.49Å; E682-T685 PolarHBondContact O-N 3.45Å; E682-T685 PolarHBondContact O-OG1 3.15Å; E682-K686 HydrophobicContact CG-CD 3.72Å; E682-K686 HydrophobicContact CG-CG 4.19Å; E682-K686 WeakPolarHBondContact O-CB 3.49Å; E682-K686 PolarHBondContact O-N 3.27Å; E682-K686 WeakPolarHBondContact OE1-CE 3.31Å; E682-K686 IonicContact OE1-NZ 2.88Å; E682-K686 PolarHBondContact OE1-NZ 3.41Å
683	L	90.4	Very high	87.2	Confident	15 Å²	15	38.7 Å²	38.7	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-44	173.5	-69.4	172.8	0	0	0	110.9	I598 T601 I621 C679 L680 T685 L687	I598-L683 HydrophobicContact CG2-CD1 4.35Å; T601-L683 HydrophobicContact CG2-CD1 4.06Å; T601-L683 HydrophobicContact CG2-CD2 3.97Å; T601-L683 HydrophobicContact CG2-CG 4.49Å; I621-L683 HydrophobicContact CG2-CB 4.23Å; C679-L683 WeakPolarHBondContact O-CG 3.46Å; C679-L683 PolarHBondContact O-N 3.02Å; L680-L683 HydrophobicContact CD2-CD1 4.44Å; L680-L683 PolarHBondContact O-N 2.79Å; L683-T685 VanDerWaalsContact C-N 3.25Å; L683-T685 PolarHBondContact O-N 3.42Å; L683-L687 WeakPolarHBondContact O-CB 3.23Å; L683-L687 PolarHBondContact O-N 3.48Å; L683-L687 VanDerWaalsContact O-N 3.08Å
684	W	89.6	Confident	87	Confident	70 Å²	70	40.7 Å²	40.7	27%	0.265	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-35.7	178.1	175.5	50.9	0	0	0	113.6	S493 R618 I621 V622 L680 A681 E682	S493-W684 PolarHBondContact OG-NE1 2.73Å; R618-W684 VanDerWaalsContact CZ-CD1 3.47Å; R618-W684 PolarHBondContact NH1-O 3.23Å; I621-W684 HydrophobicContact CG2-CB 4.06Å; V622-W684 HydrophobicContact CG2-CD2 4.26Å; V622-W684 HydrophobicContact CG2-CG 3.94Å; V622-W684 VanDerWaalsContact CG2-NE1 3.28Å; L680-W684 WeakPolarHBondContact O-CB 3.24Å; L680-W684 PolarHBondContact O-N 3.45Å; A681-W684 PolarHBondContact O-N 3.22Å; E682-W684 VanDerWaalsContact C-N 3.29Å; E682-W684 PolarHBondContact O-N 3.12Å
685	T	86	Confident	86.8	Confident	65 Å²	65	41.8 Å²	41.8	40%	0.399	20%	0.204	S	C	.	.	H	α-helix	trans	-86.8	-44.1	-177.3	49.8	0	0	0	0	113	Y174 A681 E682 L683	Y174-T685 HydrophobicContact CE2-CG2 4.27Å; A681-T685 WeakPolarHBondContact O-CG2 3.46Å; A681-T685 PolarHBondContact O-N 2.76Å; A681-T685 PolarHBondContact O-OG1 3Å; E682-T685 WeakPolarHBondContact CA-OG1 3.49Å; E682-T685 PolarHBondContact O-N 3.45Å; E682-T685 PolarHBondContact O-OG1 3.15Å; L683-T685 VanDerWaalsContact C-N 3.25Å; L683-T685 PolarHBondContact O-N 3.42Å
686	K	84.3	Confident	86.5	Confident	106 Å²	106	44.4 Å²	44.4	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-89.4	-34.6	-172	-67.1	-172.9	178.2	179	0	114.5	E682 Y688 T689	E682-K686 HydrophobicContact CG-CD 3.72Å; E682-K686 HydrophobicContact CG-CG 4.19Å; E682-K686 WeakPolarHBondContact O-CB 3.49Å; E682-K686 PolarHBondContact O-N 3.27Å; E682-K686 WeakPolarHBondContact OE1-CE 3.31Å; E682-K686 IonicContact OE1-NZ 2.88Å; E682-K686 PolarHBondContact OE1-NZ 3.41Å; K686-Y688 PolarHBondContact O-N 3.37Å; K686-T689 PolarHBondContact O-N 3.4Å; K686-T689 VanDerWaalsContact O-N 3.17Å; K686-T689 PolarHBondContact O-OG1 3.46Å
687	L	86.1	Confident	86	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.042	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.8	-165.6	-172.8	63.8	0	0	0	114.1	L555 T601 R604 V606 I621 L683	L555-L687 HydrophobicContact CD1-CD1 4.02Å; L555-L687 HydrophobicContact CD1-CD2 3.77Å; L555-L687 HydrophobicContact CD1-CG 3.98Å; T601-L687 HydrophobicContact CG2-CD1 4.31Å; T601-L687 HydrophobicContact CG2-CD2 3.67Å; R604-L687 HydrophobicContact CB-CD1 4.3Å; R604-L687 WeakPolarHBondContact O-CD1 3.3Å; V606-L687 WeakPolarHBondContact CG2-O 3.33Å; I621-L687 HydrophobicContact CD1-CD2 3.59Å; L683-L687 WeakPolarHBondContact O-CB 3.23Å; L683-L687 PolarHBondContact O-N 3.48Å; L683-L687 VanDerWaalsContact O-N 3.08Å
688	Y	84.9	Confident	85.4	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.039	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.4	-173.1	-52	-70.7	0	0	0	114.5	V606 S612 K615 P616 R618 K686	V606-Y688 HydrophobicContact CG2-CD1 4.02Å; S612-Y688 PolarHBondContact OG-O 3.42Å; K615-Y688 VanDerWaalsContact C-CE1 3.46Å; K615-Y688 VanDerWaalsContact CA-CD1 3.5Å; K615-Y688 HydrophobicContact CB-CD1 3.69Å; K615-Y688 HydrophobicContact CB-CD2 4.38Å; K615-Y688 HydrophobicContact CB-CE1 3.75Å; K615-Y688 HydrophobicContact CB-CE2 4.41Å; K615-Y688 HydrophobicContact CB-CG 4Å; K615-Y688 HydrophobicContact CD-CG 4.27Å; K615-Y688 HydrophobicContact CG-CD1 3.88Å; K615-Y688 HydrophobicContact CG-CD2 4.47Å; K615-Y688 HydrophobicContact CG-CE1 4.45Å; K615-Y688 HydrophobicContact CG-CG 3.87Å; P616-Y688 WeakPolarHBondContact O-CE1 3.47Å; P616-Y688 PolarHBondContact O-OH 3.47Å; R618-Y688 VanDerWaalsContact CA-OH 3.22Å; R618-Y688 WeakPolarHBondContact CA-OH 3.41Å; R618-Y688 HydrophobicContact CB-CE2 3.79Å; R618-Y688 HydrophobicContact CG-CE2 3.9Å; R618-Y688 PolarHBondContact N-OH 3.48Å; R618-Y688 VanDerWaalsContact NH1-CD2 3.33Å; K686-Y688 PolarHBondContact O-N 3.37Å
689	T	80.5	Confident	84.9	Confident	81 Å²	81	53.2 Å²	53.2	50%	0.497	26%	0.258	S	S	.	.			trans	-80.3	126.2	175.2	58.8	0	0	0	0	109.6	K686	K686-T689 PolarHBondContact O-N 3.4Å; K686-T689 VanDerWaalsContact O-N 3.17Å; K686-T689 PolarHBondContact O-OG1 3.46Å
690	L	72.1	Confident	84.2	Confident	82 Å²	82	57.2 Å²	57.2	43%	0.429	28%	0.276	S	S	.	.			trans	-76.5	127.3	169	-70.8	163.6	0	0	0	107.4	V606 L609	V606-L690 HydrophobicContact CG1-CD2 3.66Å; V606-L690 HydrophobicContact CG1-CG 4.45Å; L609-L690 HydrophobicContact CB-CD1 4.34Å; L609-L690 HydrophobicContact CD1-CD1 3.41Å; L609-L690 VanDerWaalsContact CD1-CD1 3.41Å; L609-L690 HydrophobicContact CG-CD1 4.48Å
691	K	60.8	Low	83.3	Confident	227 Å²	227	62.4 Å²	62.4	99%	0.987	30%	0.301	S	S	*	.			trans	-98.6	0	169.1	-80.2	-166.7	175.9	-169.7	0	109.5

Retrieved 691 of 691 residues in 187.7 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).