A0A3Q0KSC3_SCHMA Loading...

Solute carrier family, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 594 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	40.4	Very low	49.7	Very low	154 Å²	154	93.4 Å²	93.4	76%	0.759	44%	0.441	S	S	*	.				0	-45	0	-89.3	-174.5	-171.4	0	0	112.4	W3 I4 Y5 I225	M1-W3 VanDerWaalsContact C-N 3.32Å; M1-W3 PolarHBondContact O-N 3.45Å; M1-I4 WeakPolarHBondContact O-CB 3.42Å; M1-I4 PolarHBondContact O-N 3.49Å; M1-Y5 WeakPolarHBondContact O-CD2 3.26Å; M1-I225 HydrophobicContact CB-CG2 4.5Å
2	I	43.2	Very low	50.4	Low	19 Å²	19	97.5 Å²	97.5	10%	0.097	46%	0.463	C	S	.	.	H	α-helix	trans	-52.3	-46.4	178.7	-67.4	157.9	0	0	0	112.4	I4 Y5 T6 F218 A222 L226 M443 L447	I2-I4 PolarHBondContact O-N 3.05Å; I2-I4 VanDerWaalsContact O-N 3.08Å; I2-Y5 PolarHBondContact O-N 3.39Å; I2-Y5 VanDerWaalsContact O-N 3.09Å; I2-T6 PolarHBondContact O-N 3.44Å; I2-T6 VanDerWaalsContact O-N 3.13Å; I2-T6 PolarHBondContact O-OG1 3.49Å; I2-F218 HydrophobicContact CG2-CZ 4.38Å; I2-A222 HydrophobicContact CD1-CB 3.86Å; I2-A222 HydrophobicContact CG1-CB 4.38Å; I2-L226 HydrophobicContact CD1-CD1 4.1Å; I2-L226 HydrophobicContact CD1-CD2 3.99Å; I2-L226 HydrophobicContact CD1-CG 3.98Å; I2-M443 HydrophobicContact CD1-CE 4.14Å; I2-L447 HydrophobicContact CD1-CD1 4.22Å; I2-L447 HydrophobicContact CG2-CD2 4.19Å
3	W	41.5	Very low	50.6	Low	158 Å²	158	94.6 Å²	94.6	60%	0.598	45%	0.452	S	S	*	.	H	α-helix	trans	-57.6	-21.6	175.5	-63.4	92.9	0	0	0	116.5	M1 T6 P7 L509 F512	M1-W3 VanDerWaalsContact C-N 3.32Å; M1-W3 PolarHBondContact O-N 3.45Å; W3-T6 WeakPolarHBondContact CA-OG1 3.4Å; W3-P7 WeakPolarHBondContact O-CD 3.39Å; W3-L509 HydrophobicContact CH2-CD2 3.52Å; W3-L509 HydrophobicContact CZ2-CD2 3.77Å; W3-F512 HydrophobicContact CZ3-CE1 4.35Å
4	I	52.1	Low	50.9	Low	105 Å²	105	91.4 Å²	91.4	54%	0.538	44%	0.438	S	S	.	.	H	α-helix	trans	-83	-32.7	-179.8	-61.4	173	0	0	0	110.1	M1 I2 P7 Y8	M1-I4 WeakPolarHBondContact O-CB 3.42Å; M1-I4 PolarHBondContact O-N 3.49Å; I2-I4 PolarHBondContact O-N 3.05Å; I2-I4 VanDerWaalsContact O-N 3.08Å; I4-P7 WeakPolarHBondContact O-CG 3.36Å; I4-Y8 VanDerWaalsContact O-CD2 3.31Å; I4-Y8 WeakPolarHBondContact O-CD2 3.39Å
5	Y	52.2	Low	51.1	Low	140 Å²	140	89.1 Å²	89.1	55%	0.549	44%	0.435	S	S	.	.	H	α-helix	trans	-94.6	-21	-176	-66	-72.4	0	0	0	113.7	M1 I2 Y8 I9	M1-Y5 WeakPolarHBondContact O-CD2 3.26Å; I2-Y5 PolarHBondContact O-N 3.39Å; I2-Y5 VanDerWaalsContact O-N 3.09Å; Y5-Y8 WeakPolarHBondContact O-CA 3.3Å; Y5-Y8 WeakPolarHBondContact O-CB 3.35Å; Y5-Y8 PolarHBondContact O-N 3.47Å; Y5-I9 WeakPolarHBondContact O-CG1 3.43Å; Y5-I9 PolarHBondContact O-N 3.2Å
6	T	51.1	Low	51.4	Low	27 Å²	27	89.1 Å²	89.1	17%	0.166	43%	0.432	C	S	.	.	H	α-helix	trans	-49.8	-48.4	174.2	-19.6	0	0	0	0	113.4	I2 W3 Y8 I9 I10 F450	I2-T6 PolarHBondContact O-N 3.44Å; I2-T6 VanDerWaalsContact O-N 3.13Å; I2-T6 PolarHBondContact O-OG1 3.49Å; W3-T6 WeakPolarHBondContact CA-OG1 3.4Å; T6-Y8 VanDerWaalsContact C-N 3.32Å; T6-Y8 PolarHBondContact O-N 2.73Å; T6-I9 PolarHBondContact O-N 3.01Å; T6-I10 HydrophobicContact CG2-CD1 4.3Å; T6-I10 WeakPolarHBondContact O-CB 3.4Å; T6-I10 WeakPolarHBondContact O-CD1 3.4Å; T6-I10 VanDerWaalsContact O-CG1 3.22Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 3.07Å; T6-F450 HydrophobicContact CG2-CZ 4.45Å
7	P	47.7	Very low	51.6	Low	67 Å²	67	84.5 Å²	84.5	44%	0.435	41%	0.411	S	S	.	.	H	α-helix	trans	-66.2	-32.9	176.8	24.9	-33.7	0	0	0	112.8	W3 I4 V11	W3-P7 WeakPolarHBondContact O-CD 3.39Å; I4-P7 WeakPolarHBondContact O-CG 3.36Å; P7-V11 WeakPolarHBondContact O-CB 3.44Å; P7-V11 WeakPolarHBondContact O-CG2 3.36Å; P7-V11 PolarHBondContact O-N 2.98Å
8	Y	52	Low	51.7	Low	165 Å²	165	84.1 Å²	84.1	65%	0.647	41%	0.411	S	S	*	.	H	α-helix	trans	-69.7	-40.3	176.8	-77.2	-85.8	0	0	0	112.3	I4 Y5 T6 V11 M12	I4-Y8 VanDerWaalsContact O-CD2 3.31Å; I4-Y8 WeakPolarHBondContact O-CD2 3.39Å; Y5-Y8 WeakPolarHBondContact O-CA 3.3Å; Y5-Y8 WeakPolarHBondContact O-CB 3.35Å; Y5-Y8 PolarHBondContact O-N 3.47Å; T6-Y8 VanDerWaalsContact C-N 3.32Å; T6-Y8 PolarHBondContact O-N 2.73Å; Y8-V11 PolarHBondContact O-N 3.06Å; Y8-M12 VanDerWaalsContact O-CB 3.29Å; Y8-M12 WeakPolarHBondContact O-CB 3.31Å; Y8-M12 PolarHBondContact O-N 2.8Å
9	I	55.8	Low	52	Low	66 Å²	66	85.4 Å²	85.4	34%	0.338	42%	0.419	S	S	.	.	H	α-helix	trans	-65.4	-44.2	175.2	-66.4	171.6	0	0	0	109.6	Y5 T6 V11 M12 L13 F218	Y5-I9 WeakPolarHBondContact O-CG1 3.43Å; Y5-I9 PolarHBondContact O-N 3.2Å; T6-I9 PolarHBondContact O-N 3.01Å; I9-V11 PolarHBondContact O-N 3.2Å; I9-M12 PolarHBondContact O-N 3.25Å; I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 2.72Å; I9-F218 HydrophobicContact CD1-CD2 3.79Å; I9-F218 HydrophobicContact CD1-CE2 3.69Å
10	I	55.7	Low	52.2	Low	39 Å²	39	82.9 Å²	82.9	20%	0.2	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-46.3	175.6	-69.5	165.4	0	0	0	110.9	T6 M12 L13 I14 V516 I520	T6-I10 HydrophobicContact CG2-CD1 4.3Å; T6-I10 WeakPolarHBondContact O-CB 3.4Å; T6-I10 WeakPolarHBondContact O-CD1 3.4Å; T6-I10 VanDerWaalsContact O-CG1 3.22Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 3.07Å; I10-M12 VanDerWaalsContact C-N 3.34Å; I10-M12 PolarHBondContact O-N 2.9Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.32Å; I10-I14 WeakPolarHBondContact O-CB 3.44Å; I10-I14 WeakPolarHBondContact O-CD1 3.49Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 2.97Å; I10-V516 HydrophobicContact CD1-CG1 4.05Å; I10-I520 HydrophobicContact CG1-CD1 4.38Å; I10-I520 HydrophobicContact CG2-CD1 3.83Å
11	V	54.9	Low	52.4	Low	87 Å²	87	81.7 Å²	81.7	53%	0.527	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-38.8	177	169.6	0	0	0	0	111.7	P7 Y8 I9 S15	P7-V11 WeakPolarHBondContact O-CB 3.44Å; P7-V11 WeakPolarHBondContact O-CG2 3.36Å; P7-V11 PolarHBondContact O-N 2.98Å; Y8-V11 PolarHBondContact O-N 3.06Å; I9-V11 PolarHBondContact O-N 3.2Å; V11-S15 VanDerWaalsContact O-CB 3.3Å; V11-S15 WeakPolarHBondContact O-CB 3.31Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 2.73Å
12	M	58.9	Low	53.3	Low	143 Å²	143	77 Å²	77	70%	0.704	39%	0.386	S	S	*	.	H	α-helix	trans	-67.2	-43.8	177	-157.9	-162.8	-132.9	0	0	110.9	Y8 I9 I10 S15 F16	Y8-M12 VanDerWaalsContact O-CB 3.29Å; Y8-M12 WeakPolarHBondContact O-CB 3.31Å; Y8-M12 PolarHBondContact O-N 2.8Å; I9-M12 PolarHBondContact O-N 3.25Å; I10-M12 VanDerWaalsContact C-N 3.34Å; I10-M12 PolarHBondContact O-N 2.9Å; M12-S15 PolarHBondContact O-N 2.96Å; M12-F16 VanDerWaalsContact O-CB 3.25Å; M12-F16 WeakPolarHBondContact O-CB 3.15Å; M12-F16 PolarHBondContact O-N 3.16Å
13	L	52.8	Low	54.2	Low	60 Å²	60	81.6 Å²	81.6	31%	0.314	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-41.5	176.1	-71.3	170.1	0	0	0	112	I9 I10 F16 S17 I533	I9-L13 HydrophobicContact CG2-CD1 3.75Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 WeakPolarHBondContact O-CG 3.37Å; I9-L13 PolarHBondContact O-N 2.72Å; I10-L13 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.36Å; L13-S17 WeakPolarHBondContact O-CB 3.44Å; L13-S17 PolarHBondContact O-N 3.31Å; L13-I533 HydrophobicContact CD1-CD1 3.38Å; L13-I533 HydrophobicContact CD2-CD1 3.8Å; L13-I533 HydrophobicContact CG-CD1 4.25Å
14	I	54.7	Low	55.3	Low	50 Å²	50	77.3 Å²	77.3	26%	0.256	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-45.5	173.9	-69.5	165.3	0	0	0	110.1	I10 F16 S17 N18	I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.32Å; I10-I14 WeakPolarHBondContact O-CB 3.44Å; I10-I14 WeakPolarHBondContact O-CD1 3.49Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 2.97Å; I14-F16 VanDerWaalsContact C-N 3.35Å; I14-F16 PolarHBondContact O-N 3.38Å; I14-S17 PolarHBondContact O-N 3.46Å; I14-N18 WeakPolarHBondContact O-CB 3.21Å; I14-N18 PolarHBondContact O-N 3.48Å; I14-N18 PolarHBondContact O-ND2 3.28Å; I14-N18 VanDerWaalsContact O-ND2 3.14Å
15	S	54	Low	56.2	Low	57 Å²	57	75.9 Å²	75.9	40%	0.399	39%	0.387	S	S	.	.	H	α-helix	trans	-63	-43.4	178.3	-59	0	0	0	0	111.3	V11 M12 N18 I19	V11-S15 VanDerWaalsContact O-CB 3.3Å; V11-S15 WeakPolarHBondContact O-CB 3.31Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 2.73Å; M12-S15 PolarHBondContact O-N 2.96Å; S15-N18 PolarHBondContact O-N 3.23Å; S15-I19 WeakPolarHBondContact O-CD1 3.39Å; S15-I19 VanDerWaalsContact O-CG1 3.25Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.1Å
16	F	55.1	Low	57.4	Low	89 Å²	89	69.4 Å²	69.4	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-43	178.6	-154.5	-105.6	0	0	0	111.6	M12 L13 I14 N18 I19 I20 M207	M12-F16 VanDerWaalsContact O-CB 3.25Å; M12-F16 WeakPolarHBondContact O-CB 3.15Å; M12-F16 PolarHBondContact O-N 3.16Å; L13-F16 PolarHBondContact O-N 3.36Å; I14-F16 VanDerWaalsContact C-N 3.35Å; I14-F16 PolarHBondContact O-N 3.38Å; F16-N18 VanDerWaalsContact C-N 3.34Å; F16-N18 PolarHBondContact O-N 3.3Å; F16-I19 PolarHBondContact O-N 2.96Å; F16-I20 HydrophobicContact CD1-CD1 3.54Å; F16-I20 HydrophobicContact CD1-CG1 4.46Å; F16-I20 HydrophobicContact CE1-CD1 3.42Å; F16-I20 VanDerWaalsContact CE1-CD1 3.42Å; F16-I20 HydrophobicContact CE1-CG1 4.45Å; F16-I20 HydrophobicContact CG-CD1 4.47Å; F16-I20 HydrophobicContact CZ-CD1 4.24Å; F16-I20 WeakPolarHBondContact O-CG1 3.46Å; F16-I20 PolarHBondContact O-N 3.2Å; F16-M207 HydrophobicContact CE1-CE 3.62Å; F16-M207 HydrophobicContact CZ-CE 3.5Å
17	S	54.8	Low	58.6	Low	10 Å²	10	69 Å²	69	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-40.5	174.9	-167.7	0	0	0	0	111.8	L13 I14 Q21	L13-S17 WeakPolarHBondContact O-CB 3.44Å; L13-S17 PolarHBondContact O-N 3.31Å; I14-S17 PolarHBondContact O-N 3.46Å; S17-Q21 VanDerWaalsContact O-CB 3.25Å; S17-Q21 WeakPolarHBondContact O-CB 3.23Å; S17-Q21 PolarHBondContact O-N 2.95Å
18	N	53.4	Low	60	Low	78 Å²	78	69.4 Å²	69.4	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-41.5	177.4	-73.1	-27.3	0	0	0	112.2	I14 S15 F16 A22	I14-N18 WeakPolarHBondContact O-CB 3.21Å; I14-N18 PolarHBondContact O-N 3.48Å; I14-N18 PolarHBondContact O-ND2 3.28Å; I14-N18 VanDerWaalsContact O-ND2 3.14Å; S15-N18 PolarHBondContact O-N 3.23Å; F16-N18 VanDerWaalsContact C-N 3.34Å; F16-N18 PolarHBondContact O-N 3.3Å; N18-A22 WeakPolarHBondContact O-CB 3.23Å; N18-A22 PolarHBondContact O-N 3.15Å; N18-A22 VanDerWaalsContact O-N 3.09Å
19	I	57.8	Low	61.5	Low	108 Å²	108	63 Å²	63	55%	0.554	33%	0.333	S	S	*	.	H	α-helix	trans	-63.5	-47.9	178.1	-69.6	164.5	0	0	0	110.3	S15 F16 Q21 A22 E23	S15-I19 WeakPolarHBondContact O-CD1 3.39Å; S15-I19 VanDerWaalsContact O-CG1 3.25Å; S15-I19 WeakPolarHBondContact O-CG1 3.23Å; S15-I19 PolarHBondContact O-N 3.1Å; F16-I19 PolarHBondContact O-N 2.96Å; I19-Q21 PolarHBondContact O-N 3.43Å; I19-A22 PolarHBondContact O-N 2.71Å; I19-E23 PolarHBondContact O-N 2.9Å
20	I	56.8	Low	62.8	Low	36 Å²	36	59.9 Å²	59.9	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-41	-179	-67.5	175.4	0	0	0	111.2	F16 E23 Q24 W529	F16-I20 HydrophobicContact CD1-CD1 3.54Å; F16-I20 HydrophobicContact CD1-CG1 4.46Å; F16-I20 HydrophobicContact CE1-CD1 3.42Å; F16-I20 VanDerWaalsContact CE1-CD1 3.42Å; F16-I20 HydrophobicContact CE1-CG1 4.45Å; F16-I20 HydrophobicContact CG-CD1 4.47Å; F16-I20 HydrophobicContact CZ-CD1 4.24Å; F16-I20 WeakPolarHBondContact O-CG1 3.46Å; F16-I20 PolarHBondContact O-N 3.2Å; I20-E23 PolarHBondContact O-N 3.02Å; I20-Q24 WeakPolarHBondContact O-CB 3.28Å; I20-Q24 PolarHBondContact O-N 3.32Å; I20-W529 HydrophobicContact CD1-CH2 3.74Å; I20-W529 HydrophobicContact CD1-CZ2 3.46Å; I20-W529 VanDerWaalsContact CD1-CZ2 3.46Å; I20-W529 HydrophobicContact CG2-CZ2 4.46Å
21	Q	56	Low	64	Low	57 Å²	57	60.2 Å²	60.2	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-69.9	-34.9	-178.3	-169.4	158.8	-31.5	0	0	112.9	S17 I19 N25 S525	S17-Q21 VanDerWaalsContact O-CB 3.25Å; S17-Q21 WeakPolarHBondContact O-CB 3.23Å; S17-Q21 PolarHBondContact O-N 2.95Å; I19-Q21 PolarHBondContact O-N 3.43Å; Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 PolarHBondContact O-N 3.46Å; Q21-N25 VanDerWaalsContact O-N 3.12Å; Q21-S525 PolarHBondContact OE1-OG 2.93Å
22	A	58.3	Low	65.3	Low	55 Å²	55	60.5 Å²	60.5	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-42.5	173	0	0	0	0	0	111.5	N18 I19 A26	N18-A22 WeakPolarHBondContact O-CB 3.23Å; N18-A22 PolarHBondContact O-N 3.15Å; N18-A22 VanDerWaalsContact O-N 3.09Å; I19-A22 PolarHBondContact O-N 2.71Å; A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.24Å; A22-A26 VanDerWaalsContact O-N 3.16Å
23	E	61.7	Low	66.5	Low	117 Å²	117	54.9 Å²	54.9	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-38.8	179.8	-159.1	176.7	-171	0	0	112	I19 I20 T27 M91	I19-E23 PolarHBondContact O-N 2.9Å; I20-E23 PolarHBondContact O-N 3.02Å; E23-T27 WeakPolarHBondContact O-CB 3.35Å; E23-T27 PolarHBondContact O-N 3.02Å; E23-T27 PolarHBondContact O-OG1 3.29Å; E23-M91 HydrophobicContact CG-CE 3.92Å
24	Q	64.4	Low	67.8	Low	68 Å²	68	55 Å²	55	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-46.4	179.3	-165.4	175.3	-3.6	0	0	112.1	I20 A26 T27 I28	I20-Q24 WeakPolarHBondContact O-CB 3.28Å; I20-Q24 PolarHBondContact O-N 3.32Å; Q24-A26 PolarHBondContact O-N 3.39Å; Q24-T27 PolarHBondContact O-N 3.29Å; Q24-I28 HydrophobicContact CG-CD1 4.07Å; Q24-I28 WeakPolarHBondContact O-CG1 3.36Å; Q24-I28 PolarHBondContact O-N 3.34Å
25	N	72.6	Confident	69	Low	74 Å²	74	57.5 Å²	57.5	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-41.7	177.5	-76.3	-10.3	0	0	0	112	Q21 T27 W29 Y94	Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 PolarHBondContact O-N 3.46Å; Q21-N25 VanDerWaalsContact O-N 3.12Å; N25-T27 VanDerWaalsContact C-N 3.33Å; N25-T27 PolarHBondContact O-N 2.97Å; N25-W29 WeakPolarHBondContact O-CB 3.29Å; N25-W29 PolarHBondContact O-N 3.28Å; N25-W29 VanDerWaalsContact O-N 3.08Å; N25-Y94 HydrophobicContact CB-CE1 4.25Å
26	A	76	Confident	70.2	Confident	4 Å²	4	61 Å²	61	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-44.3	176	0	0	0	0	0	111.5	A22 Q24 C30 M91 Y94	A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.24Å; A22-A26 VanDerWaalsContact O-N 3.16Å; Q24-A26 PolarHBondContact O-N 3.39Å; A26-C30 VanDerWaalsContact O-CB 3.27Å; A26-C30 WeakPolarHBondContact O-CB 3.31Å; A26-C30 PolarHBondContact O-N 3.37Å; A26-C30 PolarHBondContact O-SG 3.19Å; A26-M91 HydrophobicContact CB-CB 4.42Å; A26-M91 HydrophobicContact CB-CG 4.31Å; A26-Y94 HydrophobicContact CB-CD1 3.44Å; A26-Y94 VanDerWaalsContact CB-CD1 3.44Å; A26-Y94 HydrophobicContact CB-CE1 4.07Å; A26-Y94 HydrophobicContact CB-CG 3.78Å
27	T	76.6	Confident	70.9	Confident	19 Å²	19	57.9 Å²	57.9	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-49.1	-178.9	-54	0	0	0	0	111.5	E23 Q24 N25 C30 T31 M91	E23-T27 WeakPolarHBondContact O-CB 3.35Å; E23-T27 PolarHBondContact O-N 3.02Å; E23-T27 PolarHBondContact O-OG1 3.29Å; Q24-T27 PolarHBondContact O-N 3.29Å; N25-T27 VanDerWaalsContact C-N 3.33Å; N25-T27 PolarHBondContact O-N 2.97Å; T27-C30 PolarHBondContact O-N 3.19Å; T27-T31 WeakPolarHBondContact O-CG2 3.49Å; T27-T31 PolarHBondContact O-N 3.32Å; T27-T31 PolarHBondContact O-OG1 3.44Å; T27-T31 VanDerWaalsContact O-OG1 3.07Å; T27-M91 VanDerWaalsContact OG1-CE 3.27Å; T27-M91 WeakPolarHBondContact OG1-CE 3.44Å
28	I	76.6	Confident	71.6	Confident	76 Å²	76	65.6 Å²	65.6	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-52.4	-178.7	-68	166.9	0	0	0	110.2	Q24 C30 T31 Q32	Q24-I28 HydrophobicContact CG-CD1 4.07Å; Q24-I28 WeakPolarHBondContact O-CG1 3.36Å; Q24-I28 PolarHBondContact O-N 3.34Å; I28-C30 VanDerWaalsContact C-N 3.34Å; I28-C30 PolarHBondContact O-N 3.01Å; I28-T31 PolarHBondContact O-N 3.34Å; I28-T31 PolarHBondContact O-OG1 2.96Å; I28-Q32 WeakPolarHBondContact O-CB 3.39Å; I28-Q32 PolarHBondContact O-N 3.49Å
29	W	84.7	Confident	72.5	Confident	29 Å²	29	66.8 Å²	66.8	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-46.6	-178.1	-172.3	90.7	0	0	0	111.4	N25 T31 Q32 Y33 L50 H53 L54 D57 Y94	N25-W29 WeakPolarHBondContact O-CB 3.29Å; N25-W29 PolarHBondContact O-N 3.28Å; N25-W29 VanDerWaalsContact O-N 3.08Å; W29-T31 VanDerWaalsContact C-N 3.34Å; W29-T31 PolarHBondContact O-N 3.01Å; W29-Q32 PolarHBondContact O-N 3.1Å; W29-Y33 AromaticContact CH2-CD2 3.65Å; W29-Y33 HydrophobicContact CH2-CD2 3.65Å; W29-Y33 HydrophobicContact CH2-CE2 4.23Å; W29-Y33 AromaticContact CH2-CG 3.87Å; W29-Y33 HydrophobicContact CH2-CG 3.87Å; W29-Y33 HydrophobicContact CZ2-CD2 4.03Å; W29-Y33 HydrophobicContact CZ2-CG 4.5Å; W29-Y33 HydrophobicContact CZ3-CD2 4.26Å; W29-Y33 HydrophobicContact CZ3-CG 4Å; W29-Y33 VanDerWaalsContact O-CB 3.28Å; W29-Y33 WeakPolarHBondContact O-CB 3.37Å; W29-Y33 PolarHBondContact O-N 3.26Å; W29-L50 HydrophobicContact CH2-CD1 3.91Å; W29-L50 HydrophobicContact CZ3-CD1 3.84Å; W29-H53 HydrophobicContact CH2-CB 4.23Å; W29-H53 HydrophobicContact CZ2-CB 4.21Å; W29-L54 HydrophobicContact CD2-CD2 3.85Å; W29-L54 HydrophobicContact CE3-CD2 3.57Å; W29-L54 HydrophobicContact CE3-CG 4.43Å; W29-L54 HydrophobicContact CH2-CB 4.47Å; W29-L54 HydrophobicContact CH2-CD2 3.48Å; W29-L54 VanDerWaalsContact CH2-CD2 3.48Å; W29-L54 HydrophobicContact CH2-CG 3.52Å; W29-L54 HydrophobicContact CZ2-CD2 3.73Å; W29-L54 HydrophobicContact CZ2-CG 4.02Å; W29-L54 HydrophobicContact CZ3-CD1 4.48Å; W29-L54 HydrophobicContact CZ3-CD2 3.39Å; W29-L54 HydrophobicContact CZ3-CG 3.75Å; W29-D57 HydrophobicContact CZ2-CB 4.5Å; W29-D57 WeakPolarHBondContact CZ2-OD2 3.13Å; W29-D57 PolarHBondContact NE1-OD2 3.49Å; W29-Y94 HydrophobicContact CB-CD2 4.08Å; W29-Y94 HydrophobicContact CB-CE2 3.77Å; W29-Y94 HydrophobicContact CD2-CD2 4.15Å; W29-Y94 HydrophobicContact CD2-CE2 4.32Å; W29-Y94 HydrophobicContact CE3-CD2 4.17Å; W29-Y94 HydrophobicContact CG-CD2 4.11Å; W29-Y94 AromaticContact CG-CE2 3.86Å; W29-Y94 HydrophobicContact CG-CE2 3.86Å
30	C	83.9	Confident	73.5	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-36.9	179.3	-72.9	0	0	0	0	113.2	A26 T27 I28 R34 C90 M91	A26-C30 VanDerWaalsContact O-CB 3.27Å; A26-C30 WeakPolarHBondContact O-CB 3.31Å; A26-C30 PolarHBondContact O-N 3.37Å; A26-C30 PolarHBondContact O-SG 3.19Å; T27-C30 PolarHBondContact O-N 3.19Å; I28-C30 VanDerWaalsContact C-N 3.34Å; I28-C30 PolarHBondContact O-N 3.01Å; C30-R34 WeakPolarHBondContact O-CB 3.36Å; C30-R34 PolarHBondContact O-N 2.98Å; C30-R34 VanDerWaalsContact O-N 3.14Å; C30-C90 WeakPolarHBondContact CA-SG 3.2Å; C30-C90 HydrophobicContact CB-CB 3.79Å; C30-C90 WeakPolarHBondContact CB-SG 3.2Å; C30-C90 WeakPolarHBondContact SG-CB 3.4Å; C30-C90 CovalentContact SG-SG 2.03Å; C30-C90 PolarHBondContact SG-SG 3.37Å; C30-M91 PolarHBondContact SG-N 3.2Å; C30-M91 VanDerWaalsContact SG-N 3.41Å
31	T	80.5	Confident	74.4	Confident	46 Å²	46	65.7 Å²	65.7	28%	0.282	34%	0.335	S	S	.	.	H	α-helix	trans	-69.2	-42.1	175.3	51.3	0	0	0	0	112.3	T27 I28 W29 R34 Q35	T27-T31 WeakPolarHBondContact O-CG2 3.49Å; T27-T31 PolarHBondContact O-N 3.32Å; T27-T31 PolarHBondContact O-OG1 3.44Å; T27-T31 VanDerWaalsContact O-OG1 3.07Å; I28-T31 PolarHBondContact O-N 3.34Å; I28-T31 PolarHBondContact O-OG1 2.96Å; W29-T31 VanDerWaalsContact C-N 3.34Å; W29-T31 PolarHBondContact O-N 3.01Å; T31-R34 PolarHBondContact O-N 3.47Å; T31-Q35 WeakPolarHBondContact O-CG 3.36Å; T31-Q35 PolarHBondContact O-N 2.78Å
32	Q	82.3	Confident	75.2	Confident	93 Å²	93	67.5 Å²	67.5	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-66.8	-44.1	178.6	-175.2	173.9	5.5	0	0	111.2	I28 W29 R34 Q35 L36	I28-Q32 WeakPolarHBondContact O-CB 3.39Å; I28-Q32 PolarHBondContact O-N 3.49Å; W29-Q32 PolarHBondContact O-N 3.1Å; Q32-R34 VanDerWaalsContact C-N 3.3Å; Q32-R34 PolarHBondContact O-N 3.44Å; Q32-Q35 PolarHBondContact O-N 2.77Å; Q32-Q35 VanDerWaalsContact O-N 3.16Å; Q32-L36 HydrophobicContact CG-CD1 3.58Å; Q32-L36 WeakPolarHBondContact O-CD1 3.27Å; Q32-L36 PolarHBondContact O-N 3.06Å
33	Y	82.7	Confident	76	Confident	24 Å²	24	71 Å²	71	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-55.6	-45.5	174.1	-178.6	-95.7	0	0	0	111.9	W29 S37 H49 L50 H53 F86	W29-Y33 AromaticContact CH2-CD2 3.65Å; W29-Y33 HydrophobicContact CH2-CD2 3.65Å; W29-Y33 HydrophobicContact CH2-CE2 4.23Å; W29-Y33 AromaticContact CH2-CG 3.87Å; W29-Y33 HydrophobicContact CH2-CG 3.87Å; W29-Y33 HydrophobicContact CZ2-CD2 4.03Å; W29-Y33 HydrophobicContact CZ2-CG 4.5Å; W29-Y33 HydrophobicContact CZ3-CD2 4.26Å; W29-Y33 HydrophobicContact CZ3-CG 4Å; W29-Y33 VanDerWaalsContact O-CB 3.28Å; W29-Y33 WeakPolarHBondContact O-CB 3.37Å; W29-Y33 PolarHBondContact O-N 3.26Å; Y33-S37 VanDerWaalsContact O-CB 3.29Å; Y33-S37 WeakPolarHBondContact O-CB 3.37Å; Y33-S37 PolarHBondContact O-N 2.72Å; Y33-H49 PolarHBondContact OH-CE1 2.91Å; Y33-H49 PolarHBondContact OH-ND1 3.01Å; Y33-L50 HydrophobicContact CD1-CD1 3.69Å; Y33-L50 HydrophobicContact CE1-CD1 3.36Å; Y33-L50 HydrophobicContact CE2-CD1 4.28Å; Y33-L50 HydrophobicContact CG-CD1 4.26Å; Y33-H53 HydrophobicContact CD2-CB 4.34Å; Y33-H53 HydrophobicContact CE2-CB 3.71Å; Y33-H53 AromaticContact CE2-CD2 3.77Å; Y33-H53 AromaticContact CE2-CG 3.57Å; Y33-H53 AromaticContact CE2-ND1 4Å; Y33-F86 AromaticContact CD1-CZ 3.97Å; Y33-F86 HydrophobicContact CD1-CZ 3.97Å; Y33-F86 HydrophobicContact CE1-CZ 4.13Å
34	R	81.5	Confident	76.7	Confident	64 Å²	64	65.5 Å²	65.5	24%	0.242	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-41	177	179.2	59.4	-171.1	123.3	4	112.4	C30 T31 Q32 S37 R39 E44 F86	C30-R34 WeakPolarHBondContact O-CB 3.36Å; C30-R34 PolarHBondContact O-N 2.98Å; C30-R34 VanDerWaalsContact O-N 3.14Å; T31-R34 PolarHBondContact O-N 3.47Å; Q32-R34 VanDerWaalsContact C-N 3.3Å; Q32-R34 PolarHBondContact O-N 3.44Å; R34-S37 PolarHBondContact O-N 3.36Å; R34-R39 PolarHBondContact NH1-O 2.92Å; R34-E44 WeakPolarHBondContact CD-OE2 3.4Å; R34-E44 IonicContact CZ-OE1 3.91Å; R34-E44 IonicContact CZ-OE2 2.93Å; R34-E44 VanDerWaalsContact CZ-OE2 3.24Å; R34-E44 IonicContact NE-OE1 3.9Å; R34-E44 IonicContact NE-OE2 3.51Å; R34-E44 PolarHBondContact NE-OE2 3.48Å; R34-E44 VanDerWaalsContact NE-OE2 3.15Å; R34-E44 IonicContact NH1-OE1 2.78Å; R34-E44 PolarHBondContact NH1-OE1 3.38Å; R34-E44 IonicContact NH1-OE2 2.83Å; R34-E44 PolarHBondContact NH1-OE2 3.24Å; R34-F86 HydrophobicContact CB-CE1 4.07Å; R34-F86 HydrophobicContact CG-CE1 4.49Å
35	Q	79.9	Confident	77.4	Confident	101 Å²	101	62.5 Å²	62.5	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-38.3	-179.7	-76.1	-175.6	-42.3	0	0	113.1	T31 Q32 S37 G191 V193	T31-Q35 WeakPolarHBondContact O-CG 3.36Å; T31-Q35 PolarHBondContact O-N 2.78Å; Q32-Q35 PolarHBondContact O-N 2.77Å; Q32-Q35 VanDerWaalsContact O-N 3.16Å; Q35-S37 VanDerWaalsContact C-N 3.29Å; Q35-G191 PolarHBondContact NE2-O 2.93Å; Q35-V193 VanDerWaalsContact NE2-CG2 3.34Å
36	L	77.9	Confident	77.8	Confident	132 Å²	132	62.2 Å²	62.2	69%	0.691	31%	0.31	S	S	*	.	H	α-helix	trans	-75.8	-18.8	177.6	-85.7	94.5	0	0	0	113.2	Q32 N38	Q32-L36 HydrophobicContact CG-CD1 3.58Å; Q32-L36 WeakPolarHBondContact O-CD1 3.27Å; Q32-L36 PolarHBondContact O-N 3.06Å; L36-N38 PolarHBondContact O-N 2.89Å
37	S	70.6	Confident	78	Confident	22 Å²	22	62.3 Å²	62.3	15%	0.154	31%	0.31	C	S	.	.			trans	-81.8	108.7	-176.9	172.2	0	0	0	0	111.6	Y33 R34 Q35 R39 E44	Y33-S37 VanDerWaalsContact O-CB 3.29Å; Y33-S37 WeakPolarHBondContact O-CB 3.37Å; Y33-S37 PolarHBondContact O-N 2.72Å; R34-S37 PolarHBondContact O-N 3.36Å; Q35-S37 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.2Å; S37-R39 WeakPolarHBondContact OG-CB 3.33Å; S37-R39 PolarHBondContact OG-N 3.5Å; S37-E44 WeakPolarHBondContact CB-OE1 3.46Å; S37-E44 PolarHBondContact OG-OE1 2.87Å
38	N	69.7	Low	78.1	Confident	172 Å²	172	65 Å²	65	92%	0.92	33%	0.329	S	S	*	.			trans	-72.1	12.9	168.3	-85.4	-12.7	0	0	0	113.5	L36	L36-N38 PolarHBondContact O-N 2.89Å
39	R	72.3	Confident	78.3	Confident	104 Å²	104	63.4 Å²	63.4	39%	0.392	32%	0.32	S	S	.	.	S	Bend	trans	-87.1	147.6	-177.5	-62	-171.1	177	-166.4	7	111	R34 S37 K43 E44 H49	R34-R39 PolarHBondContact NH1-O 2.92Å; S37-R39 PolarHBondContact O-N 3.2Å; S37-R39 WeakPolarHBondContact OG-CB 3.33Å; S37-R39 PolarHBondContact OG-N 3.5Å; R39-K43 HydrophobicContact CB-CB 4.1Å; R39-E44 HydrophobicContact CB-CG 4.15Å; R39-H49 VanDerWaalsContact CZ-NE2 3.32Å; R39-H49 PolarHBondContact NH1-CD2 3.1Å; R39-H49 PolarHBondContact NH1-NE2 3.5Å; R39-H49 PolarHBondContact NH2-NE2 2.89Å
40	T	77.4	Confident	78.2	Confident	81 Å²	81	62 Å²	62	50%	0.497	32%	0.315	S	S	.	.			trans	-60.1	141.8	167.3	50.7	0	0	0	0	109.3	D42 K43	T40-D42 PolarHBondContact O-N 2.87Å; T40-K43 WeakPolarHBondContact O-CB 3.26Å; T40-K43 PolarHBondContact O-N 3.29Å
41	L	77.1	Confident	78.2	Confident	39 Å²	39	62.8 Å²	62.8	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-47.6	-37.5	-177.9	-170.7	70.8	0	0	0	112.6	K43 E44 F45 F86	L41-K43 VanDerWaalsContact C-N 3.26Å; L41-K43 PolarHBondContact O-N 2.92Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-E44 VanDerWaalsContact O-N 3.1Å; L41-F45 HydrophobicContact CD1-CE2 4.25Å; L41-F45 HydrophobicContact CD2-CE2 4.4Å; L41-F45 HydrophobicContact CG-CD2 4.43Å; L41-F45 HydrophobicContact CG-CE2 3.96Å; L41-F45 WeakPolarHBondContact O-CD2 3.34Å; L41-F86 HydrophobicContact CD1-CB 4.21Å
42	D	72.4	Confident	78.3	Confident	95 Å²	95	65.5 Å²	65.5	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-54.6	-35.1	175.2	-68.8	-62.4	0	0	0	115.3	T40 K81	T40-D42 PolarHBondContact O-N 2.87Å; D42-K81 WeakPolarHBondContact OD1-CD 3.09Å; D42-K81 WeakPolarHBondContact OD1-CE 3.35Å; D42-K81 IonicContact OD1-NZ 2.68Å; D42-K81 PolarHBondContact OD1-NZ 3.39Å
43	K	75.4	Confident	78.3	Confident	129 Å²	129	63.9 Å²	63.9	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-85.3	-14.7	-177.8	-68.7	-178.5	-178.4	-179.5	0	112.4	R39 T40 L41 D46	R39-K43 HydrophobicContact CB-CB 4.1Å; T40-K43 WeakPolarHBondContact O-CB 3.26Å; T40-K43 PolarHBondContact O-N 3.29Å; L41-K43 VanDerWaalsContact C-N 3.26Å; L41-K43 PolarHBondContact O-N 2.92Å; K43-D46 WeakPolarHBondContact O-CB 3.45Å
44	E	76.7	Confident	78.4	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-85.5	-23.1	178.7	-64	-176.8	155.4	0	0	112.4	R34 S37 R39 L41 D46 F86	R34-E44 WeakPolarHBondContact CD-OE2 3.4Å; R34-E44 IonicContact CZ-OE1 3.91Å; R34-E44 IonicContact CZ-OE2 2.93Å; R34-E44 VanDerWaalsContact CZ-OE2 3.24Å; R34-E44 IonicContact NE-OE1 3.9Å; R34-E44 IonicContact NE-OE2 3.51Å; R34-E44 PolarHBondContact NE-OE2 3.48Å; R34-E44 VanDerWaalsContact NE-OE2 3.15Å; R34-E44 IonicContact NH1-OE1 2.78Å; R34-E44 PolarHBondContact NH1-OE1 3.38Å; R34-E44 IonicContact NH1-OE2 2.83Å; R34-E44 PolarHBondContact NH1-OE2 3.24Å; S37-E44 WeakPolarHBondContact CB-OE1 3.46Å; S37-E44 PolarHBondContact OG-OE1 2.87Å; R39-E44 HydrophobicContact CB-CG 4.15Å; L41-E44 PolarHBondContact O-N 3.45Å; L41-E44 VanDerWaalsContact O-N 3.1Å; E44-D46 PolarHBondContact O-N 2.82Å; E44-F86 HydrophobicContact CB-CD2 4.02Å; E44-F86 HydrophobicContact CB-CE2 3.63Å; E44-F86 HydrophobicContact CB-CZ 4.14Å; E44-F86 WeakPolarHBondContact O-CE2 3.08Å
45	F	79.6	Confident	78.5	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	7.7	168.7	-78.2	-85.3	0	0	0	114	L41 I47 Y77 R78 K81 N85 F86 M89	L41-F45 HydrophobicContact CD1-CE2 4.25Å; L41-F45 HydrophobicContact CD2-CE2 4.4Å; L41-F45 HydrophobicContact CG-CD2 4.43Å; L41-F45 HydrophobicContact CG-CE2 3.96Å; L41-F45 WeakPolarHBondContact O-CD2 3.34Å; F45-I47 PolarHBondContact O-N 3.42Å; F45-I47 VanDerWaalsContact O-N 3.15Å; F45-Y77 WeakPolarHBondContact CE1-O 3.42Å; F45-R78 HydrophobicContact CD1-CB 4.39Å; F45-R78 PolarHBondContact O-NE 3Å; F45-R78 PolarHBondContact O-NH2 2.89Å; F45-K81 HydrophobicContact CD2-CB 4.43Å; F45-K81 HydrophobicContact CD2-CG 4.16Å; F45-K81 HydrophobicContact CE2-CB 4.03Å; F45-K81 HydrophobicContact CE2-CG 4.17Å; F45-N85 HydrophobicContact CZ-CB 4.31Å; F45-F86 HydrophobicContact CE1-CB 4.24Å; F45-F86 HydrophobicContact CE2-CB 3.88Å; F45-F86 HydrophobicContact CE2-CD2 4.47Å; F45-F86 HydrophobicContact CZ-CB 3.62Å; F45-M89 HydrophobicContact CD1-CE 3.82Å; F45-M89 HydrophobicContact CD1-SD 3.53Å; F45-M89 VanDerWaalsContact CD1-SD 3.53Å; F45-M89 HydrophobicContact CE1-CE 4.31Å; F45-M89 HydrophobicContact CE1-SD 4.01Å; F45-M89 HydrophobicContact CG-CE 4.43Å
46	D	79.9	Confident	78.6	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	32%	0.322	S	S	.	.			trans	-76.2	94.2	168.2	-172.4	-1.1	0	0	0	110.3	K43 E44 S48 H49 L50	K43-D46 WeakPolarHBondContact O-CB 3.45Å; E44-D46 PolarHBondContact O-N 2.82Å; D46-S48 PolarHBondContact O-N 3.03Å; D46-S48 PolarHBondContact OD1-N 2.9Å; D46-H49 HydrophobicContact CB-CB 4.08Å; D46-H49 PolarHBondContact O-N 3.33Å; D46-H49 VanDerWaalsContact O-N 3.16Å; D46-L50 PolarHBondContact O-N 2.64Å
47	I	79.6	Confident	78.8	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-55.7	-37.6	-179	-62.4	169.3	0	0	0	110.9	F45 H49 L50 I51 W70 Y71 M74 M89 L93	F45-I47 PolarHBondContact O-N 3.42Å; F45-I47 VanDerWaalsContact O-N 3.15Å; I47-H49 PolarHBondContact O-N 2.88Å; I47-L50 PolarHBondContact O-N 2.87Å; I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.13Å; I47-I51 WeakPolarHBondContact O-CB 3.38Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.38Å; I47-I51 PolarHBondContact O-N 3.1Å; I47-W70 HydrophobicContact CG2-CH2 4.33Å; I47-W70 HydrophobicContact CG2-CZ3 4.2Å; I47-Y71 HydrophobicContact CD1-CD2 4.32Å; I47-Y71 HydrophobicContact CD1-CE2 3.98Å; I47-M74 HydrophobicContact CD1-CB 3.86Å; I47-M89 HydrophobicContact CG1-SD 4.26Å; I47-L93 HydrophobicContact CG2-CD1 4.31Å; I47-L93 HydrophobicContact CG2-CD2 4.34Å
48	S	78.9	Confident	79.3	Confident	76 Å²	76	60.8 Å²	60.8	53%	0.531	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-40.6	-178.6	-63.1	0	0	0	0	111.7	D46 L52	D46-S48 PolarHBondContact O-N 3.03Å; D46-S48 PolarHBondContact OD1-N 2.9Å; S48-L52 PolarHBondContact O-N 2.98Å; S48-L52 VanDerWaalsContact O-N 3.15Å
49	H	81.3	Confident	79.7	Confident	42 Å²	42	58.5 Å²	58.5	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-40	175.6	-171	-92.8	0	0	0	111.9	Y33 R39 D46 I47 L52 H53	Y33-H49 PolarHBondContact OH-CE1 2.91Å; Y33-H49 PolarHBondContact OH-ND1 3.01Å; R39-H49 VanDerWaalsContact CZ-NE2 3.32Å; R39-H49 PolarHBondContact NH1-CD2 3.1Å; R39-H49 PolarHBondContact NH1-NE2 3.5Å; R39-H49 PolarHBondContact NH2-NE2 2.89Å; D46-H49 HydrophobicContact CB-CB 4.08Å; D46-H49 PolarHBondContact O-N 3.33Å; D46-H49 VanDerWaalsContact O-N 3.16Å; I47-H49 PolarHBondContact O-N 2.88Å; H49-L52 PolarHBondContact O-N 3.31Å; H49-H53 AromaticContact CE1-CD2 3.44Å; H49-H53 PolarHBondContact CE1-CD2 3.47Å; H49-H53 VanDerWaalsContact CE1-CD2 3.44Å; H49-H53 AromaticContact CE1-NE2 3.48Å; H49-H53 PolarHBondContact CE1-NE2 3.01Å; H49-H53 AromaticContact ND1-CD2 3.83Å; H49-H53 AromaticContact NE2-NE2 3.98Å; H49-H53 PolarHBondContact O-N 3.38Å
50	L	83.4	Confident	79.9	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-42.8	178.5	-169.5	62.9	0	0	0	112	W29 Y33 D46 I47 L52 H53 L54 F86 M89 C90 L93	W29-L50 HydrophobicContact CH2-CD1 3.91Å; W29-L50 HydrophobicContact CZ3-CD1 3.84Å; Y33-L50 HydrophobicContact CD1-CD1 3.69Å; Y33-L50 HydrophobicContact CE1-CD1 3.36Å; Y33-L50 HydrophobicContact CE2-CD1 4.28Å; Y33-L50 HydrophobicContact CG-CD1 4.26Å; D46-L50 PolarHBondContact O-N 2.64Å; I47-L50 PolarHBondContact O-N 2.87Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 3.14Å; L50-H53 PolarHBondContact O-N 3.1Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CB 3.08Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 3.17Å; L50-F86 HydrophobicContact CD2-CE2 4.38Å; L50-M89 HydrophobicContact CD2-CE 3.94Å; L50-C90 HydrophobicContact CD2-CB 4.1Å; L50-L93 HydrophobicContact CB-CD2 3.99Å; L50-L93 HydrophobicContact CD2-CD2 3.55Å; L50-L93 HydrophobicContact CG-CD2 3.71Å
51	I	82.5	Confident	79.7	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-39.5	173.8	-70.3	174	0	0	0	110.8	I47 L54 N55 F62 W70 L93	I47-I51 HydrophobicContact CG2-CD1 3.72Å; I47-I51 HydrophobicContact CG2-CG1 4.13Å; I47-I51 WeakPolarHBondContact O-CB 3.38Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.38Å; I47-I51 PolarHBondContact O-N 3.1Å; I51-L54 PolarHBondContact O-N 2.87Å; I51-N55 WeakPolarHBondContact CG2-ND2 3.31Å; I51-N55 VanDerWaalsContact O-CB 3.3Å; I51-N55 WeakPolarHBondContact O-CB 3.35Å; I51-N55 PolarHBondContact O-N 3.43Å; I51-N55 PolarHBondContact O-ND2 3.29Å; I51-F62 HydrophobicContact CD1-CD1 4.23Å; I51-F62 HydrophobicContact CD1-CE1 4.04Å; I51-F62 HydrophobicContact CG1-CD1 4.48Å; I51-F62 HydrophobicContact CG2-CD1 4Å; I51-F62 WeakPolarHBondContact CG2-O 3.46Å; I51-W70 HydrophobicContact CD1-CH2 4.23Å; I51-L93 HydrophobicContact CD1-CD1 4.17Å; I51-L93 HydrophobicContact CG1-CD1 3.92Å; I51-L93 HydrophobicContact CG1-CD2 3.78Å; I51-L93 HydrophobicContact CG1-CG 4.16Å
52	L	83.2	Confident	79.6	Confident	102 Å²	102	54.5 Å²	54.5	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-47.9	-179.6	-166.5	152.3	0	0	0	111.2	S48 H49 L50 N55 E56	S48-L52 PolarHBondContact O-N 2.98Å; S48-L52 VanDerWaalsContact O-N 3.15Å; H49-L52 PolarHBondContact O-N 3.31Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 3.14Å; L52-N55 PolarHBondContact O-N 3.26Å; L52-E56 WeakPolarHBondContact O-CB 3.46Å; L52-E56 PolarHBondContact O-N 3.17Å
53	H	82.9	Confident	79.2	Confident	59 Å²	59	54.7 Å²	54.7	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-41.1	174.5	-90.7	-83.2	0	0	0	112.9	W29 Y33 H49 L50 N55 E56 D57	W29-H53 HydrophobicContact CH2-CB 4.23Å; W29-H53 HydrophobicContact CZ2-CB 4.21Å; Y33-H53 HydrophobicContact CD2-CB 4.34Å; Y33-H53 HydrophobicContact CE2-CB 3.71Å; Y33-H53 AromaticContact CE2-CD2 3.77Å; Y33-H53 AromaticContact CE2-CG 3.57Å; Y33-H53 AromaticContact CE2-ND1 4Å; H49-H53 AromaticContact CE1-CD2 3.44Å; H49-H53 PolarHBondContact CE1-CD2 3.47Å; H49-H53 VanDerWaalsContact CE1-CD2 3.44Å; H49-H53 AromaticContact CE1-NE2 3.48Å; H49-H53 PolarHBondContact CE1-NE2 3.01Å; H49-H53 AromaticContact ND1-CD2 3.83Å; H49-H53 AromaticContact NE2-NE2 3.98Å; H49-H53 PolarHBondContact O-N 3.38Å; L50-H53 PolarHBondContact O-N 3.1Å; H53-N55 VanDerWaalsContact C-N 3.33Å; H53-N55 PolarHBondContact O-N 2.85Å; H53-E56 PolarHBondContact O-N 3.38Å; H53-D57 WeakPolarHBondContact O-CB 3.34Å; H53-D57 PolarHBondContact O-N 3.32Å
54	L	84.6	Confident	78.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-43.4	174.6	-78.4	168.2	0	0	0	111.6	W29 L50 I51 L58 L93 Y94 V97	W29-L54 HydrophobicContact CD2-CD2 3.85Å; W29-L54 HydrophobicContact CE3-CD2 3.57Å; W29-L54 HydrophobicContact CE3-CG 4.43Å; W29-L54 HydrophobicContact CH2-CB 4.47Å; W29-L54 HydrophobicContact CH2-CD2 3.48Å; W29-L54 VanDerWaalsContact CH2-CD2 3.48Å; W29-L54 HydrophobicContact CH2-CG 3.52Å; W29-L54 HydrophobicContact CZ2-CD2 3.73Å; W29-L54 HydrophobicContact CZ2-CG 4.02Å; W29-L54 HydrophobicContact CZ3-CD1 4.48Å; W29-L54 HydrophobicContact CZ3-CD2 3.39Å; W29-L54 HydrophobicContact CZ3-CG 3.75Å; L50-L54 HydrophobicContact CG-CD1 4.28Å; L50-L54 WeakPolarHBondContact O-CB 3.08Å; L50-L54 WeakPolarHBondContact O-CG 3.44Å; L50-L54 PolarHBondContact O-N 3.17Å; I51-L54 PolarHBondContact O-N 2.87Å; L54-L58 HydrophobicContact CB-CD1 4.48Å; L54-L58 HydrophobicContact CD2-CD1 4Å; L54-L58 WeakPolarHBondContact O-CA 3.44Å; L54-L58 WeakPolarHBondContact O-CB 3.22Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.38Å; L54-L58 PolarHBondContact O-N 3.28Å; L54-L93 HydrophobicContact CD1-CB 4.24Å; L54-L93 HydrophobicContact CD1-CD2 3.68Å; L54-L93 HydrophobicContact CD1-CG 3.75Å; L54-Y94 HydrophobicContact CD2-CD2 3.5Å; L54-Y94 VanDerWaalsContact CD2-CD2 3.5Å; L54-Y94 HydrophobicContact CD2-CE2 4.28Å; L54-Y94 HydrophobicContact CD2-CG 4.23Å; L54-V97 HydrophobicContact CB-CG1 4.34Å; L54-V97 HydrophobicContact CB-CG2 4.38Å; L54-V97 HydrophobicContact CD1-CG2 4.12Å
55	N	82.3	Confident	77.6	Confident	31 Å²	31	57.9 Å²	57.9	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-39.8	178.1	-82.4	-26.8	0	0	0	112	I51 L52 H53 N59 A60 F62	I51-N55 WeakPolarHBondContact CG2-ND2 3.31Å; I51-N55 VanDerWaalsContact O-CB 3.3Å; I51-N55 WeakPolarHBondContact O-CB 3.35Å; I51-N55 PolarHBondContact O-N 3.43Å; I51-N55 PolarHBondContact O-ND2 3.29Å; L52-N55 PolarHBondContact O-N 3.26Å; H53-N55 VanDerWaalsContact C-N 3.33Å; H53-N55 PolarHBondContact O-N 2.85Å; N55-N59 CarbonylContact O-C 3.56Å; N55-N59 WeakPolarHBondContact O-CA 3.32Å; N55-N59 PolarHBondContact O-N 3.37Å; N55-A60 VanDerWaalsContact CB-O 3.23Å; N55-A60 WeakPolarHBondContact CB-O 3.47Å; N55-A60 VanDerWaalsContact CG-O 3.3Å; N55-A60 PolarHBondContact O-N 3.46Å; N55-A60 PolarHBondContact OD1-O 3.31Å; N55-F62 PolarHBondContact ND2-O 2.94Å; N55-F62 WeakPolarHBondContact OD1-CB 3.24Å; N55-F62 PolarHBondContact OD1-N 3.09Å
56	E	83.7	Confident	76.4	Confident	132 Å²	132	63.8 Å²	63.8	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-65	-52.6	176.8	-170.7	170.5	-170	0	0	111	L52 H53 N59	L52-E56 WeakPolarHBondContact O-CB 3.46Å; L52-E56 PolarHBondContact O-N 3.17Å; H53-E56 PolarHBondContact O-N 3.38Å; E56-N59 PolarHBondContact O-N 3.42Å
57	D	82.2	Confident	75.2	Confident	96 Å²	96	67.6 Å²	67.6	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-70.6	-39.6	-177.2	-73.1	-8	0	0	0	112.6	W29 H53 N59	W29-D57 HydrophobicContact CZ2-CB 4.5Å; W29-D57 WeakPolarHBondContact CZ2-OD2 3.13Å; W29-D57 PolarHBondContact NE1-OD2 3.49Å; H53-D57 WeakPolarHBondContact O-CB 3.34Å; H53-D57 PolarHBondContact O-N 3.32Å; D57-N59 VanDerWaalsContact C-N 3.32Å
58	L	79.3	Confident	73.7	Confident	20 Å²	20	74 Å²	74	11%	0.105	41%	0.407	C	S	.	.	H	α-helix	trans	-86	-4.2	179.5	-59.1	173	0	0	0	112.7	L54 A60 Y94 V97 K101	L54-L58 HydrophobicContact CB-CD1 4.48Å; L54-L58 HydrophobicContact CD2-CD1 4Å; L54-L58 WeakPolarHBondContact O-CA 3.44Å; L54-L58 WeakPolarHBondContact O-CB 3.22Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.38Å; L54-L58 PolarHBondContact O-N 3.28Å; L58-A60 VanDerWaalsContact C-N 3.27Å; L58-A60 HydrophobicContact CB-CB 4.32Å; L58-A60 PolarHBondContact O-N 3.47Å; L58-Y94 HydrophobicContact CD1-CD2 4.17Å; L58-Y94 HydrophobicContact CD1-CE2 3.91Å; L58-Y94 HydrophobicContact CD2-CE2 3.83Å; L58-Y94 HydrophobicContact CG-CE2 4.32Å; L58-V97 HydrophobicContact CD1-CB 4.48Å; L58-V97 HydrophobicContact CD1-CG1 3.92Å; L58-K101 HydrophobicContact CB-CD 4.47Å; L58-K101 WeakPolarHBondContact O-CD 3.45Å; L58-K101 WeakPolarHBondContact O-CE 3.47Å; L58-K101 PolarHBondContact O-NZ 3.42Å
59	N	79.9	Confident	72.9	Confident	123 Å²	123	71.9 Å²	71.9	66%	0.658	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	54.3	-171.7	-167.5	18.7	0	0	0	111.2	N55 E56 D57 K105	N55-N59 CarbonylContact O-C 3.56Å; N55-N59 WeakPolarHBondContact O-CA 3.32Å; N55-N59 PolarHBondContact O-N 3.37Å; E56-N59 PolarHBondContact O-N 3.42Å; D57-N59 VanDerWaalsContact C-N 3.32Å; N59-K105 PolarHBondContact O-NZ 2.99Å
60	A	75.4	Confident	72.1	Confident	11 Å²	11	71.4 Å²	71.4	9%	0.091	39%	0.394	C	S	.	.			trans	-115.1	155.8	-179.6	0	0	0	0	0	110.1	N55 L58 V97 K101	N55-A60 VanDerWaalsContact CB-O 3.23Å; N55-A60 WeakPolarHBondContact CB-O 3.47Å; N55-A60 VanDerWaalsContact CG-O 3.3Å; N55-A60 PolarHBondContact O-N 3.46Å; N55-A60 PolarHBondContact OD1-O 3.31Å; L58-A60 VanDerWaalsContact C-N 3.27Å; L58-A60 HydrophobicContact CB-CB 4.32Å; L58-A60 PolarHBondContact O-N 3.47Å; A60-V97 HydrophobicContact CB-CG1 3.85Å; A60-K101 HydrophobicContact CB-CB 4.06Å; A60-K101 HydrophobicContact CB-CD 4.32Å; A60-K101 HydrophobicContact CB-CG 4.38Å
61	T	74.1	Confident	71.2	Confident	125 Å²	125	76 Å²	76	77%	0.767	41%	0.412	S	S	*	.			trans	-118.2	51.1	178.1	56.3	0	0	0	0	109.9	S63	T61-S63 PolarHBondContact O-N 2.98Å
62	F	74.5	Confident	70.4	Confident	5 Å²	5	81.1 Å²	81.1	2%	0.022	44%	0.435	C	S	.	.			trans	-82	104.5	178.9	-177.8	-102.5	0	0	0	109.8	I51 N55 A65 I96 V97 S100	I51-F62 HydrophobicContact CD1-CD1 4.23Å; I51-F62 HydrophobicContact CD1-CE1 4.04Å; I51-F62 HydrophobicContact CG1-CD1 4.48Å; I51-F62 HydrophobicContact CG2-CD1 4Å; I51-F62 WeakPolarHBondContact CG2-O 3.46Å; N55-F62 PolarHBondContact ND2-O 2.94Å; N55-F62 WeakPolarHBondContact OD1-CB 3.24Å; N55-F62 PolarHBondContact OD1-N 3.09Å; F62-A65 HydrophobicContact CE2-CB 3.94Å; F62-A65 VanDerWaalsContact CZ-CA 3.47Å; F62-A65 HydrophobicContact CZ-CB 3.47Å; F62-A65 VanDerWaalsContact CZ-CB 3.47Å; F62-I96 HydrophobicContact CE1-CG2 4.23Å; F62-I96 HydrophobicContact CE2-CG2 3.71Å; F62-I96 HydrophobicContact CZ-CG2 3.42Å; F62-I96 VanDerWaalsContact CZ-CG2 3.42Å; F62-V97 HydrophobicContact CB-CG1 4.17Å; F62-V97 HydrophobicContact CB-CG2 4.15Å; F62-V97 HydrophobicContact CD1-CG2 3.73Å; F62-V97 HydrophobicContact CE1-CG2 4.29Å; F62-V97 HydrophobicContact CG-CG2 3.99Å; F62-S100 VanDerWaalsContact CD2-CB 3.48Å; F62-S100 WeakPolarHBondContact CD2-OG 3.31Å
63	S	64.8	Low	69.6	Low	99 Å²	99	81.6 Å²	81.6	69%	0.692	44%	0.439	S	S	*	.			trans	-97.7	-28.2	-176.6	-167.8	0	0	0	0	114.1	T61	T61-S63 PolarHBondContact O-N 2.98Å
64	Y	63	Low	68.8	Low	179 Å²	179	79 Å²	79	70%	0.702	43%	0.427	S	S	*	.	S	Bend	trans	-172.3	141.1	174.9	-99.6	-85.7	0	0	0	107	W70	Y64-W70 AromaticContact CD1-CZ2 3.9Å; Y64-W70 HydrophobicContact CD1-CZ2 3.9Å; Y64-W70 HydrophobicContact CE1-CZ2 4.3Å
65	A	55.1	Low	68.1	Low	18 Å²	18	81 Å²	81	15%	0.149	44%	0.437	C	S	.	.			trans	-69.9	150.4	-177	0	0	0	0	0	112.7	F62 E67 W70 I96	F62-A65 HydrophobicContact CE2-CB 3.94Å; F62-A65 VanDerWaalsContact CZ-CA 3.47Å; F62-A65 HydrophobicContact CZ-CB 3.47Å; F62-A65 VanDerWaalsContact CZ-CB 3.47Å; A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 3.03Å; A65-W70 HydrophobicContact CB-CB 4.27Å; A65-W70 HydrophobicContact CB-CD2 3.74Å; A65-W70 HydrophobicContact CB-CG 3.52Å; A65-W70 HydrophobicContact CB-CZ2 4.45Å; A65-I96 HydrophobicContact CB-CG2 4.37Å
66	P	54.2	Low	67.6	Low	129 Å²	129	84 Å²	84	84%	0.838	46%	0.456	S	S	*	.	S	Bend	trans	-78.9	-9.2	-176.5	-5.3	23	0	0	0	114.7
67	E	53.6	Low	67	Low	149 Å²	149	80.1 Å²	80.1	70%	0.696	44%	0.436	S	S	*	.	S	Bend	trans	-99.2	138.4	-175.6	-78.6	-153.1	148.4	0	0	114.1	A65 G69 W70	A65-E67 VanDerWaalsContact C-N 3.34Å; A65-E67 PolarHBondContact O-N 3.03Å; E67-G69 PolarHBondContact O-N 3Å; E67-G69 VanDerWaalsContact O-N 3.09Å; E67-W70 VanDerWaalsContact O-CD1 3.27Å
68	P	49	Very low	66.3	Low	138 Å²	138	79 Å²	79	90%	0.896	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	101.3	169.7	28.9	-29.9	0	0	0	110.1
69	G	61	Low	65.8	Low	33 Å²	33	84.2 Å²	84.2	34%	0.34	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.5	-10.8	170.9	0	0	0	0	0	116.7	E67 Y71 E72 N73	E67-G69 PolarHBondContact O-N 3Å; E67-G69 VanDerWaalsContact O-N 3.09Å; G69-Y71 PolarHBondContact O-N 2.89Å; G69-E72 WeakPolarHBondContact O-CB 3.47Å; G69-E72 PolarHBondContact O-N 3.44Å; G69-E72 VanDerWaalsContact O-N 3.12Å; G69-N73 PolarHBondContact O-N 3.16Å
70	W	65.3	Low	65.5	Low	31 Å²	31	82.9 Å²	82.9	12%	0.117	45%	0.446	C	S	.	.	H	α-helix	trans	-58.9	-35.5	-179.2	73.8	-86.6	0	0	0	112.9	I47 I51 Y64 A65 E67 N73 M74 L93	I47-W70 HydrophobicContact CG2-CH2 4.33Å; I47-W70 HydrophobicContact CG2-CZ3 4.2Å; I51-W70 HydrophobicContact CD1-CH2 4.23Å; Y64-W70 AromaticContact CD1-CZ2 3.9Å; Y64-W70 HydrophobicContact CD1-CZ2 3.9Å; Y64-W70 HydrophobicContact CE1-CZ2 4.3Å; A65-W70 HydrophobicContact CB-CB 4.27Å; A65-W70 HydrophobicContact CB-CD2 3.74Å; A65-W70 HydrophobicContact CB-CG 3.52Å; A65-W70 HydrophobicContact CB-CZ2 4.45Å; E67-W70 VanDerWaalsContact O-CD1 3.27Å; W70-N73 PolarHBondContact O-N 3.11Å; W70-M74 HydrophobicContact CE3-CG 4.36Å; W70-M74 WeakPolarHBondContact O-CG 3.41Å; W70-M74 PolarHBondContact O-N 3.39Å; W70-L93 HydrophobicContact CZ3-CD1 4.28Å
71	Y	64.9	Low	65.5	Low	98 Å²	98	87 Å²	87	38%	0.384	46%	0.462	S	S	.	.	H	α-helix	trans	-69.1	-35.6	179.4	-170.6	-103.4	0	0	0	112.2	I47 G69 N73 M74 I75 R78	I47-Y71 HydrophobicContact CD1-CD2 4.32Å; I47-Y71 HydrophobicContact CD1-CE2 3.98Å; G69-Y71 PolarHBondContact O-N 2.89Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 2.95Å; Y71-M74 PolarHBondContact O-N 3.24Å; Y71-M74 VanDerWaalsContact O-N 3.12Å; Y71-I75 HydrophobicContact CD1-CD1 3.51Å; Y71-I75 HydrophobicContact CD1-CG1 4.05Å; Y71-I75 HydrophobicContact CE1-CD1 3.49Å; Y71-I75 VanDerWaalsContact CE1-CD1 3.49Å; Y71-I75 HydrophobicContact CE1-CG1 3.85Å; Y71-I75 WeakPolarHBondContact O-CG1 3.32Å; Y71-I75 PolarHBondContact O-N 3.13Å; Y71-R78 PolarHBondContact OH-NH1 3.43Å
72	E	64.7	Low	65.9	Low	125 Å²	125	83.3 Å²	83.3	58%	0.584	44%	0.439	S	S	*	.	H	α-helix	trans	-63.1	-40.9	177.4	-66.6	-62.5	157.5	0	0	111.5	G69 M74 I75	G69-E72 WeakPolarHBondContact O-CB 3.47Å; G69-E72 PolarHBondContact O-N 3.44Å; G69-E72 VanDerWaalsContact O-N 3.12Å; E72-M74 VanDerWaalsContact C-N 3.25Å; E72-M74 PolarHBondContact O-N 3.13Å; E72-I75 PolarHBondContact O-N 3.22Å
73	N	66.1	Low	66.1	Low	112 Å²	112	89.2 Å²	89.2	60%	0.599	47%	0.466	S	S	*	.	H	α-helix	trans	-65.7	-29.3	175.8	-69.4	-27.5	0	0	0	112.5	G69 W70 Y71 Y77	G69-N73 PolarHBondContact O-N 3.16Å; W70-N73 PolarHBondContact O-N 3.11Å; Y71-N73 VanDerWaalsContact C-N 3.34Å; Y71-N73 PolarHBondContact O-N 2.95Å; N73-Y77 WeakPolarHBondContact O-CE2 3.29Å
74	M	68.1	Low	66.9	Low	6 Å²	6	92 Å²	92	3%	0.03	47%	0.469	C	S	.	.	H	α-helix	trans	-80.8	-28.2	178.4	-66.4	-66.4	176.7	0	0	113.1	I47 W70 Y71 E72 V76 Y77 R78 M89 K92 L93 I96	I47-M74 HydrophobicContact CD1-CB 3.86Å; W70-M74 HydrophobicContact CE3-CG 4.36Å; W70-M74 WeakPolarHBondContact O-CG 3.41Å; W70-M74 PolarHBondContact O-N 3.39Å; Y71-M74 PolarHBondContact O-N 3.24Å; Y71-M74 VanDerWaalsContact O-N 3.12Å; E72-M74 VanDerWaalsContact C-N 3.25Å; E72-M74 PolarHBondContact O-N 3.13Å; M74-V76 PolarHBondContact O-N 3.3Å; M74-Y77 PolarHBondContact O-N 2.88Å; M74-Y77 HydrophobicContact SD-CD2 4.14Å; M74-Y77 HydrophobicContact SD-CE2 4.32Å; M74-R78 PolarHBondContact O-N 3.47Å; M74-M89 HydrophobicContact SD-CB 4.41Å; M74-M89 HydrophobicContact SD-CG 3.62Å; M74-K92 HydrophobicContact CE-CB 3.44Å; M74-K92 VanDerWaalsContact CE-CB 3.44Å; M74-K92 HydrophobicContact SD-CB 4.43Å; M74-L93 HydrophobicContact CE-CB 4.41Å; M74-I96 HydrophobicContact CE-CD1 3.9Å
75	I	69.2	Low	67.8	Low	41 Å²	41	85 Å²	85	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-61.5	-33.7	176.4	-71.6	161.2	0	0	0	111.3	Y71 E72 Y77 R78 N79	Y71-I75 HydrophobicContact CD1-CD1 3.51Å; Y71-I75 HydrophobicContact CD1-CG1 4.05Å; Y71-I75 HydrophobicContact CE1-CD1 3.49Å; Y71-I75 VanDerWaalsContact CE1-CD1 3.49Å; Y71-I75 HydrophobicContact CE1-CG1 3.85Å; Y71-I75 WeakPolarHBondContact O-CG1 3.32Å; Y71-I75 PolarHBondContact O-N 3.13Å; E72-I75 PolarHBondContact O-N 3.22Å; I75-Y77 VanDerWaalsContact C-N 3.27Å; I75-Y77 PolarHBondContact O-N 3.25Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-R78 VanDerWaalsContact O-N 3.12Å; I75-N79 PolarHBondContact O-N 3.18Å
76	V	71	Confident	69.2	Low	95 Å²	95	84.3 Å²	84.3	58%	0.576	44%	0.437	S	S	*	.	H	α-helix	trans	-56.1	-43.5	177.8	-179.4	0	0	0	0	111.2	M74	M74-V76 PolarHBondContact O-N 3.3Å
77	Y	70.7	Confident	70.5	Confident	50 Å²	50	81.2 Å²	81.2	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-71.9	-36.7	178.2	-53.7	-55.3	0	0	0	112.3	F45 N73 M74 I75 N79 N80 N85 L88 M89	F45-Y77 WeakPolarHBondContact CE1-O 3.42Å; N73-Y77 WeakPolarHBondContact O-CE2 3.29Å; M74-Y77 PolarHBondContact O-N 2.88Å; M74-Y77 HydrophobicContact SD-CD2 4.14Å; M74-Y77 HydrophobicContact SD-CE2 4.32Å; I75-Y77 VanDerWaalsContact C-N 3.27Å; I75-Y77 PolarHBondContact O-N 3.25Å; Y77-N79 VanDerWaalsContact C-N 3.31Å; Y77-N79 PolarHBondContact O-N 2.86Å; Y77-N80 CarbonylContact O-C 3.45Å; Y77-N80 PolarHBondContact O-N 3.46Å; Y77-N80 VanDerWaalsContact O-O 3.13Å; Y77-N85 HydrophobicContact CD1-CB 4.37Å; Y77-L88 HydrophobicContact CD1-CD2 4.16Å; Y77-L88 HydrophobicContact CE1-CB 4.46Å; Y77-L88 HydrophobicContact CE1-CD2 3.34Å; Y77-L88 HydrophobicContact CE1-CG 4.04Å; Y77-M89 HydrophobicContact CD2-CB 3.85Å; Y77-M89 HydrophobicContact CD2-CG 4.26Å; Y77-M89 HydrophobicContact CG-CB 4.06Å
78	R	68.1	Low	71.8	Confident	72 Å²	72	77.8 Å²	77.8	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-33	177.2	-179.4	-177.8	-81.3	179.4	-5.3	112.7	F45 Y71 M74 I75 N80 K81	F45-R78 HydrophobicContact CD1-CB 4.39Å; F45-R78 PolarHBondContact O-NE 3Å; F45-R78 PolarHBondContact O-NH2 2.89Å; Y71-R78 PolarHBondContact OH-NH1 3.43Å; M74-R78 PolarHBondContact O-N 3.47Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-R78 VanDerWaalsContact O-N 3.12Å; R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 2.89Å; R78-K81 VanDerWaalsContact O-CG 3.28Å; R78-K81 WeakPolarHBondContact O-CG 3.5Å
79	N	69.8	Low	73.5	Confident	129 Å²	129	71.2 Å²	71.2	69%	0.69	35%	0.354	S	S	*	.	H	α-helix	trans	-72.3	-23.6	-179.3	-74	-16	0	0	0	113	I75 Y77	I75-N79 PolarHBondContact O-N 3.18Å; Y77-N79 VanDerWaalsContact C-N 3.31Å; Y77-N79 PolarHBondContact O-N 2.86Å
80	N	73.6	Confident	74.6	Confident	95 Å²	95	69.6 Å²	69.6	51%	0.508	34%	0.337	S	S	.	.	S	Bend	trans	-121.5	83.3	177.5	-171.3	11.1	0	0	0	109.9	Y77 R78 T82 N85	Y77-N80 CarbonylContact O-C 3.45Å; Y77-N80 PolarHBondContact O-N 3.46Å; Y77-N80 VanDerWaalsContact O-O 3.13Å; R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 2.89Å; N80-T82 VanDerWaalsContact C-N 3.31Å; N80-T82 PolarHBondContact O-N 3.04Å; N80-N85 WeakPolarHBondContact CB-ND2 3.44Å; N80-N85 PolarHBondContact ND2-ND2 2.82Å; N80-N85 WeakPolarHBondContact O-CB 3.31Å; N80-N85 PolarHBondContact O-ND2 3.2Å
81	K	75.1	Confident	75.5	Confident	99 Å²	99	69.8 Å²	69.8	43%	0.43	34%	0.34	S	S	.	.			trans	-73.6	80.5	-172.1	-62.5	-178.2	177.9	171.7	0	112.3	D42 F45 R78	D42-K81 WeakPolarHBondContact OD1-CD 3.09Å; D42-K81 WeakPolarHBondContact OD1-CE 3.35Å; D42-K81 IonicContact OD1-NZ 2.68Å; D42-K81 PolarHBondContact OD1-NZ 3.39Å; F45-K81 HydrophobicContact CD2-CB 4.43Å; F45-K81 HydrophobicContact CD2-CG 4.16Å; F45-K81 HydrophobicContact CE2-CB 4.03Å; F45-K81 HydrophobicContact CE2-CG 4.17Å; R78-K81 VanDerWaalsContact O-CG 3.28Å; R78-K81 WeakPolarHBondContact O-CG 3.5Å
82	T	82.4	Confident	76.2	Confident	47 Å²	47	69.3 Å²	69.3	29%	0.288	34%	0.34	S	S	.	.			trans	-113.7	156.9	171	64.6	0	0	0	0	109.6	N80 Q84 N85 F86	N80-T82 VanDerWaalsContact C-N 3.31Å; N80-T82 PolarHBondContact O-N 3.04Å; T82-Q84 PolarHBondContact O-N 2.94Å; T82-N85 PolarHBondContact O-N 3.47Å; T82-N85 WeakPolarHBondContact OG1-CB 3.49Å; T82-N85 PolarHBondContact OG1-N 3.01Å; T82-N85 VanDerWaalsContact OG1-N 3.15Å; T82-N85 PolarHBondContact OG1-ND2 2.96Å; T82-N85 VanDerWaalsContact OG1-ND2 3.1Å; T82-F86 PolarHBondContact O-N 3.39Å
83	E	79.5	Confident	77.1	Confident	128 Å²	128	63.4 Å²	63.4	60%	0.598	31%	0.312	S	S	*	.	H	α-helix	trans	-61.1	-34.5	176.6	-170.8	166.3	-160.2	0	0	112	F86 K87	E83-F86 PolarHBondContact O-N 3.38Å; E83-K87 PolarHBondContact O-N 2.98Å
84	Q	80.2	Confident	77.9	Confident	159 Å²	159	59.2 Å²	59.2	74%	0.743	29%	0.288	S	S	*	.	H	α-helix	trans	-64.6	-44.5	174.6	-68.4	179	-26.8	0	0	112	T82 F86 K87 L88	T82-Q84 PolarHBondContact O-N 2.94Å; Q84-F86 VanDerWaalsContact C-N 3.32Å; Q84-F86 PolarHBondContact O-N 3.21Å; Q84-K87 PolarHBondContact O-N 2.83Å; Q84-L88 PolarHBondContact O-N 3.16Å
85	N	81.8	Confident	78.3	Confident	32 Å²	32	63.9 Å²	63.9	17%	0.171	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-31.6	178.6	-72.3	-22.6	0	0	0	112.2	F45 Y77 N80 T82 M89	F45-N85 HydrophobicContact CZ-CB 4.31Å; Y77-N85 HydrophobicContact CD1-CB 4.37Å; N80-N85 WeakPolarHBondContact CB-ND2 3.44Å; N80-N85 PolarHBondContact ND2-ND2 2.82Å; N80-N85 WeakPolarHBondContact O-CB 3.31Å; N80-N85 PolarHBondContact O-ND2 3.2Å; T82-N85 PolarHBondContact O-N 3.47Å; T82-N85 WeakPolarHBondContact OG1-CB 3.49Å; T82-N85 PolarHBondContact OG1-N 3.01Å; T82-N85 VanDerWaalsContact OG1-N 3.15Å; T82-N85 PolarHBondContact OG1-ND2 2.96Å; T82-N85 VanDerWaalsContact OG1-ND2 3.1Å; N85-M89 VanDerWaalsContact O-CB 3.24Å; N85-M89 WeakPolarHBondContact O-CB 3.22Å; N85-M89 PolarHBondContact O-N 3.46Å
86	F	84.2	Confident	78.6	Confident	3 Å²	3	64 Å²	64	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-48.9	170.8	175.3	-100.2	0	0	0	111	Y33 R34 L41 E44 F45 L50 T82 E83 Q84 L88 M89 C90	Y33-F86 AromaticContact CD1-CZ 3.97Å; Y33-F86 HydrophobicContact CD1-CZ 3.97Å; Y33-F86 HydrophobicContact CE1-CZ 4.13Å; R34-F86 HydrophobicContact CB-CE1 4.07Å; R34-F86 HydrophobicContact CG-CE1 4.49Å; L41-F86 HydrophobicContact CD1-CB 4.21Å; E44-F86 HydrophobicContact CB-CD2 4.02Å; E44-F86 HydrophobicContact CB-CE2 3.63Å; E44-F86 HydrophobicContact CB-CZ 4.14Å; E44-F86 WeakPolarHBondContact O-CE2 3.08Å; F45-F86 HydrophobicContact CE1-CB 4.24Å; F45-F86 HydrophobicContact CE2-CB 3.88Å; F45-F86 HydrophobicContact CE2-CD2 4.47Å; F45-F86 HydrophobicContact CZ-CB 3.62Å; L50-F86 HydrophobicContact CD2-CE2 4.38Å; T82-F86 PolarHBondContact O-N 3.39Å; E83-F86 PolarHBondContact O-N 3.38Å; Q84-F86 VanDerWaalsContact C-N 3.32Å; Q84-F86 PolarHBondContact O-N 3.21Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.28Å; F86-M89 HydrophobicContact CD2-CE 3.71Å; F86-M89 HydrophobicContact CE2-CE 3.86Å; F86-M89 PolarHBondContact O-N 3.12Å; F86-C90 HydrophobicContact CE1-CB 4.38Å; F86-C90 HydrophobicContact CZ-CB 4.32Å; F86-C90 VanDerWaalsContact O-CB 3.3Å; F86-C90 WeakPolarHBondContact O-CB 3.48Å; F86-C90 PolarHBondContact O-N 3.42Å
87	K	82.8	Confident	78.8	Confident	63 Å²	63	59.5 Å²	59.5	27%	0.274	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-44.6	178.8	-171.2	175	175.8	179.1	0	111.3	E83 Q84 C90 M91	E83-K87 PolarHBondContact O-N 2.98Å; Q84-K87 PolarHBondContact O-N 2.83Å; K87-C90 PolarHBondContact O-N 3.27Å; K87-M91 HydrophobicContact CG-SD 4.23Å; K87-M91 WeakPolarHBondContact O-CB 3.48Å; K87-M91 VanDerWaalsContact O-CG 3.27Å; K87-M91 WeakPolarHBondContact O-CG 3.43Å; K87-M91 PolarHBondContact O-N 2.9Å
88	L	80.4	Confident	79.1	Confident	77 Å²	77	58.6 Å²	58.6	40%	0.403	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-43.5	178.9	-164.6	67.9	0	0	0	112.5	Y77 Q84 F86 K92	Y77-L88 HydrophobicContact CD1-CD2 4.16Å; Y77-L88 HydrophobicContact CE1-CB 4.46Å; Y77-L88 HydrophobicContact CE1-CD2 3.34Å; Y77-L88 HydrophobicContact CE1-CG 4.04Å; Q84-L88 PolarHBondContact O-N 3.16Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.28Å; L88-K92 WeakPolarHBondContact O-CB 3.18Å; L88-K92 WeakPolarHBondContact O-CG 3.49Å; L88-K92 PolarHBondContact O-N 3.08Å
89	M	83.8	Confident	79.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-46.4	174.3	-179.3	-166.1	73.8	0	0	111.4	F45 I47 L50 M74 Y77 N85 F86 K92 L93	F45-M89 HydrophobicContact CD1-CE 3.82Å; F45-M89 HydrophobicContact CD1-SD 3.53Å; F45-M89 VanDerWaalsContact CD1-SD 3.53Å; F45-M89 HydrophobicContact CE1-CE 4.31Å; F45-M89 HydrophobicContact CE1-SD 4.01Å; F45-M89 HydrophobicContact CG-CE 4.43Å; I47-M89 HydrophobicContact CG1-SD 4.26Å; L50-M89 HydrophobicContact CD2-CE 3.94Å; M74-M89 HydrophobicContact SD-CB 4.41Å; M74-M89 HydrophobicContact SD-CG 3.62Å; Y77-M89 HydrophobicContact CD2-CB 3.85Å; Y77-M89 HydrophobicContact CD2-CG 4.26Å; Y77-M89 HydrophobicContact CG-CB 4.06Å; N85-M89 VanDerWaalsContact O-CB 3.24Å; N85-M89 WeakPolarHBondContact O-CB 3.22Å; N85-M89 PolarHBondContact O-N 3.46Å; F86-M89 HydrophobicContact CD2-CE 3.71Å; F86-M89 HydrophobicContact CE2-CE 3.86Å; F86-M89 PolarHBondContact O-N 3.12Å; M89-K92 PolarHBondContact O-N 3.39Å; M89-L93 WeakPolarHBondContact O-CB 3.28Å; M89-L93 PolarHBondContact O-N 3.14Å
90	C	85.3	Confident	79.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.7	179.8	178.8	0	0	0	0	111.5	C30 L50 F86 K87 K92 L93 Y94	C30-C90 WeakPolarHBondContact CA-SG 3.2Å; C30-C90 HydrophobicContact CB-CB 3.79Å; C30-C90 WeakPolarHBondContact CB-SG 3.2Å; C30-C90 WeakPolarHBondContact SG-CB 3.4Å; C30-C90 CovalentContact SG-SG 2.03Å; C30-C90 PolarHBondContact SG-SG 3.37Å; L50-C90 HydrophobicContact CD2-CB 4.1Å; F86-C90 HydrophobicContact CE1-CB 4.38Å; F86-C90 HydrophobicContact CZ-CB 4.32Å; F86-C90 VanDerWaalsContact O-CB 3.3Å; F86-C90 WeakPolarHBondContact O-CB 3.48Å; F86-C90 PolarHBondContact O-N 3.42Å; K87-C90 PolarHBondContact O-N 3.27Å; C90-K92 VanDerWaalsContact C-N 3.34Å; C90-K92 PolarHBondContact O-N 3.21Å; C90-L93 PolarHBondContact O-N 3.21Å; C90-Y94 WeakPolarHBondContact O-CB 3.22Å; C90-Y94 PolarHBondContact O-N 2.92Å
91	M	83.5	Confident	79.1	Confident	34 Å²	34	53.5 Å²	53.5	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-45.1	176.8	-73.9	176.5	67.3	0	0	111.5	E23 A26 T27 C30 K87 L93 Y94 E95	E23-M91 HydrophobicContact CG-CE 3.92Å; A26-M91 HydrophobicContact CB-CB 4.42Å; A26-M91 HydrophobicContact CB-CG 4.31Å; T27-M91 VanDerWaalsContact OG1-CE 3.27Å; T27-M91 WeakPolarHBondContact OG1-CE 3.44Å; C30-M91 PolarHBondContact SG-N 3.2Å; C30-M91 VanDerWaalsContact SG-N 3.41Å; K87-M91 HydrophobicContact CG-SD 4.23Å; K87-M91 WeakPolarHBondContact O-CB 3.48Å; K87-M91 VanDerWaalsContact O-CG 3.27Å; K87-M91 WeakPolarHBondContact O-CG 3.43Å; K87-M91 PolarHBondContact O-N 2.9Å; M91-L93 VanDerWaalsContact C-N 3.31Å; M91-L93 PolarHBondContact O-N 2.98Å; M91-Y94 PolarHBondContact O-N 3.18Å; M91-E95 WeakPolarHBondContact O-CB 3Å; M91-E95 PolarHBondContact O-N 3.02Å
92	K	80.7	Confident	78.7	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-62.6	-37.7	176.6	-79.9	-75.9	163.4	-150.5	0	112.5	M74 L88 M89 C90 E95 I96	M74-K92 HydrophobicContact CE-CB 3.44Å; M74-K92 VanDerWaalsContact CE-CB 3.44Å; M74-K92 HydrophobicContact SD-CB 4.43Å; L88-K92 WeakPolarHBondContact O-CB 3.18Å; L88-K92 WeakPolarHBondContact O-CG 3.49Å; L88-K92 PolarHBondContact O-N 3.08Å; M89-K92 PolarHBondContact O-N 3.39Å; C90-K92 VanDerWaalsContact C-N 3.34Å; C90-K92 PolarHBondContact O-N 3.21Å; K92-E95 IonicContact NZ-OE2 3.9Å; K92-E95 PolarHBondContact NZ-OE2 2.86Å; K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.45Å
93	L	81.8	Confident	77.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-71.8	-40.3	178.2	-168.4	69.8	0	0	0	111.8	I47 L50 I51 L54 W70 M74 M89 C90 M91 E95 I96 V97	I47-L93 HydrophobicContact CG2-CD1 4.31Å; I47-L93 HydrophobicContact CG2-CD2 4.34Å; L50-L93 HydrophobicContact CB-CD2 3.99Å; L50-L93 HydrophobicContact CD2-CD2 3.55Å; L50-L93 HydrophobicContact CG-CD2 3.71Å; I51-L93 HydrophobicContact CD1-CD1 4.17Å; I51-L93 HydrophobicContact CG1-CD1 3.92Å; I51-L93 HydrophobicContact CG1-CD2 3.78Å; I51-L93 HydrophobicContact CG1-CG 4.16Å; L54-L93 HydrophobicContact CD1-CB 4.24Å; L54-L93 HydrophobicContact CD1-CD2 3.68Å; L54-L93 HydrophobicContact CD1-CG 3.75Å; W70-L93 HydrophobicContact CZ3-CD1 4.28Å; M74-L93 HydrophobicContact CE-CB 4.41Å; M89-L93 WeakPolarHBondContact O-CB 3.28Å; M89-L93 PolarHBondContact O-N 3.14Å; C90-L93 PolarHBondContact O-N 3.21Å; M91-L93 VanDerWaalsContact C-N 3.31Å; M91-L93 PolarHBondContact O-N 2.98Å; L93-E95 VanDerWaalsContact C-N 3.29Å; L93-E95 PolarHBondContact O-N 3.34Å; L93-I96 PolarHBondContact O-N 3.47Å; L93-V97 WeakPolarHBondContact O-CG2 3.47Å; L93-V97 PolarHBondContact O-N 3.07Å
94	Y	83.2	Confident	76.4	Confident	23 Å²	23	53.6 Å²	53.6	9%	0.09	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-43.8	173.3	-175.1	-76.9	0	0	0	111	N25 A26 W29 L54 L58 C90 M91 V97 T98	N25-Y94 HydrophobicContact CB-CE1 4.25Å; A26-Y94 HydrophobicContact CB-CD1 3.44Å; A26-Y94 VanDerWaalsContact CB-CD1 3.44Å; A26-Y94 HydrophobicContact CB-CE1 4.07Å; A26-Y94 HydrophobicContact CB-CG 3.78Å; W29-Y94 HydrophobicContact CB-CD2 4.08Å; W29-Y94 HydrophobicContact CB-CE2 3.77Å; W29-Y94 HydrophobicContact CD2-CD2 4.15Å; W29-Y94 HydrophobicContact CD2-CE2 4.32Å; W29-Y94 HydrophobicContact CE3-CD2 4.17Å; W29-Y94 HydrophobicContact CG-CD2 4.11Å; W29-Y94 AromaticContact CG-CE2 3.86Å; W29-Y94 HydrophobicContact CG-CE2 3.86Å; L54-Y94 HydrophobicContact CD2-CD2 3.5Å; L54-Y94 VanDerWaalsContact CD2-CD2 3.5Å; L54-Y94 HydrophobicContact CD2-CE2 4.28Å; L54-Y94 HydrophobicContact CD2-CG 4.23Å; L58-Y94 HydrophobicContact CD1-CD2 4.17Å; L58-Y94 HydrophobicContact CD1-CE2 3.91Å; L58-Y94 HydrophobicContact CD2-CE2 3.83Å; L58-Y94 HydrophobicContact CG-CE2 4.32Å; C90-Y94 WeakPolarHBondContact O-CB 3.22Å; C90-Y94 PolarHBondContact O-N 2.92Å; M91-Y94 PolarHBondContact O-N 3.18Å; Y94-V97 PolarHBondContact O-N 3.06Å; Y94-T98 WeakPolarHBondContact CD1-OG1 3.28Å; Y94-T98 VanDerWaalsContact CE1-OG1 3.29Å; Y94-T98 WeakPolarHBondContact CE1-OG1 3.42Å; Y94-T98 VanDerWaalsContact O-CB 3.24Å; Y94-T98 WeakPolarHBondContact O-CB 3.38Å; Y94-T98 PolarHBondContact O-N 3.42Å; Y94-T98 PolarHBondContact O-OG1 3.12Å
95	E	76.6	Confident	75	Confident	104 Å²	104	50 Å²	50	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-49.8	175.8	-169.3	-179.3	-173.6	0	0	111	M91 K92 L93 T98 D99	M91-E95 WeakPolarHBondContact O-CB 3Å; M91-E95 PolarHBondContact O-N 3.02Å; K92-E95 IonicContact NZ-OE2 3.9Å; K92-E95 PolarHBondContact NZ-OE2 2.86Å; L93-E95 VanDerWaalsContact C-N 3.29Å; L93-E95 PolarHBondContact O-N 3.34Å; E95-T98 PolarHBondContact O-N 3.17Å; E95-D99 WeakPolarHBondContact O-CB 3.45Å; E95-D99 PolarHBondContact O-N 2.81Å
96	I	75.2	Confident	73.3	Confident	45 Å²	45	50.6 Å²	50.6	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-45.3	179.1	-66.4	164.7	0	0	0	112	F62 A65 M74 K92 L93 T98 D99 S100	F62-I96 HydrophobicContact CE1-CG2 4.23Å; F62-I96 HydrophobicContact CE2-CG2 3.71Å; F62-I96 HydrophobicContact CZ-CG2 3.42Å; F62-I96 VanDerWaalsContact CZ-CG2 3.42Å; A65-I96 HydrophobicContact CB-CG2 4.37Å; M74-I96 HydrophobicContact CE-CD1 3.9Å; K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.3Å; K92-I96 WeakPolarHBondContact O-CG1 3.44Å; K92-I96 PolarHBondContact O-N 3.45Å; L93-I96 PolarHBondContact O-N 3.47Å; I96-T98 VanDerWaalsContact C-N 3.35Å; I96-D99 PolarHBondContact O-N 3Å; I96-S100 WeakPolarHBondContact O-CB 3.15Å; I96-S100 PolarHBondContact O-N 3.07Å
97	V	76.8	Confident	71.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-40.6	-179.7	174	0	0	0	0	110.6	L54 L58 A60 F62 L93 Y94 S100 K101	L54-V97 HydrophobicContact CB-CG1 4.34Å; L54-V97 HydrophobicContact CB-CG2 4.38Å; L54-V97 HydrophobicContact CD1-CG2 4.12Å; L58-V97 HydrophobicContact CD1-CB 4.48Å; L58-V97 HydrophobicContact CD1-CG1 3.92Å; A60-V97 HydrophobicContact CB-CG1 3.85Å; F62-V97 HydrophobicContact CB-CG1 4.17Å; F62-V97 HydrophobicContact CB-CG2 4.15Å; F62-V97 HydrophobicContact CD1-CG2 3.73Å; F62-V97 HydrophobicContact CE1-CG2 4.29Å; F62-V97 HydrophobicContact CG-CG2 3.99Å; L93-V97 WeakPolarHBondContact O-CG2 3.47Å; L93-V97 PolarHBondContact O-N 3.07Å; Y94-V97 PolarHBondContact O-N 3.06Å; V97-S100 PolarHBondContact O-N 3.34Å; V97-K101 WeakPolarHBondContact O-CB 3.19Å; V97-K101 PolarHBondContact O-N 3.25Å
98	T	77	Confident	69.2	Low	31 Å²	31	56.5 Å²	56.5	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-42.4	177.1	-58	0	0	0	0	111.1	Y94 E95 I96 K101 N102	Y94-T98 WeakPolarHBondContact CD1-OG1 3.28Å; Y94-T98 VanDerWaalsContact CE1-OG1 3.29Å; Y94-T98 WeakPolarHBondContact CE1-OG1 3.42Å; Y94-T98 VanDerWaalsContact O-CB 3.24Å; Y94-T98 WeakPolarHBondContact O-CB 3.38Å; Y94-T98 PolarHBondContact O-N 3.42Å; Y94-T98 PolarHBondContact O-OG1 3.12Å; E95-T98 PolarHBondContact O-N 3.17Å; I96-T98 VanDerWaalsContact C-N 3.35Å; T98-K101 PolarHBondContact O-N 3.03Å; T98-N102 WeakPolarHBondContact O-CB 3.35Å; T98-N102 VanDerWaalsContact O-CG 3.24Å; T98-N102 PolarHBondContact O-N 3.38Å; T98-N102 PolarHBondContact O-ND2 3.41Å
99	D	71.5	Confident	67.5	Low	91 Å²	91	56.5 Å²	56.5	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-39.8	176.7	-167.3	54.1	0	0	0	111.8	E95 I96 N102 N103	E95-D99 WeakPolarHBondContact O-CB 3.45Å; E95-D99 PolarHBondContact O-N 2.81Å; I96-D99 PolarHBondContact O-N 3Å; D99-N102 PolarHBondContact O-N 3.06Å; D99-N103 WeakPolarHBondContact O-CB 3.38Å; D99-N103 PolarHBondContact O-N 3.43Å; D99-N103 PolarHBondContact O-ND2 3.05Å; D99-N103 PolarHBondContact OD2-ND2 3.05Å
100	S	68.9	Low	65.4	Low	36 Å²	36	60.6 Å²	60.6	25%	0.252	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-43.1	173.5	-178.8	0	0	0	0	112.8	F62 I96 V97 N102 N103 S104	F62-S100 VanDerWaalsContact CD2-CB 3.48Å; F62-S100 WeakPolarHBondContact CD2-OG 3.31Å; I96-S100 WeakPolarHBondContact O-CB 3.15Å; I96-S100 PolarHBondContact O-N 3.07Å; V97-S100 PolarHBondContact O-N 3.34Å; S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 2.85Å; S100-N103 PolarHBondContact O-N 3.49Å; S100-S104 WeakPolarHBondContact O-CB 3.32Å; S100-S104 PolarHBondContact O-N 3.23Å
101	K	70.5	Confident	63.1	Low	61 Å²	61	66.4 Å²	66.4	27%	0.265	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-44.2	173.4	176.4	-175.8	171.6	-179.7	0	110.6	L58 A60 V97 T98 S104 K105	L58-K101 HydrophobicContact CB-CD 4.47Å; L58-K101 WeakPolarHBondContact O-CD 3.45Å; L58-K101 WeakPolarHBondContact O-CE 3.47Å; L58-K101 PolarHBondContact O-NZ 3.42Å; A60-K101 HydrophobicContact CB-CB 4.06Å; A60-K101 HydrophobicContact CB-CD 4.32Å; A60-K101 HydrophobicContact CB-CG 4.38Å; V97-K101 WeakPolarHBondContact O-CB 3.19Å; V97-K101 PolarHBondContact O-N 3.25Å; T98-K101 PolarHBondContact O-N 3.03Å; K101-S104 PolarHBondContact O-N 3.34Å; K101-K105 HydrophobicContact CG-CD 4.18Å; K101-K105 WeakPolarHBondContact O-CB 3.31Å; K101-K105 PolarHBondContact O-N 3.05Å
102	N	65.7	Low	60.9	Low	74 Å²	74	69.5 Å²	69.5	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-65.1	-47.5	177.7	-74.3	-15.8	0	0	0	110.4	T98 D99 S100 S104 K105 S106	T98-N102 WeakPolarHBondContact O-CB 3.35Å; T98-N102 VanDerWaalsContact O-CG 3.24Å; T98-N102 PolarHBondContact O-N 3.38Å; T98-N102 PolarHBondContact O-ND2 3.41Å; D99-N102 PolarHBondContact O-N 3.06Å; S100-N102 VanDerWaalsContact C-N 3.29Å; S100-N102 PolarHBondContact O-N 2.85Å; N102-S104 VanDerWaalsContact C-N 3.29Å; N102-S104 PolarHBondContact O-N 3.4Å; N102-K105 CarbonylContact O-C 3.59Å; N102-K105 PolarHBondContact O-N 3.14Å; N102-S106 WeakPolarHBondContact O-CA 3.29Å; N102-S106 WeakPolarHBondContact O-CB 3.39Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.38Å
103	N	61.6	Low	59.1	Low	109 Å²	109	68 Å²	68	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-62.5	-32.4	177.2	-75.9	-39.9	0	0	0	113.5	D99 S100	D99-N103 WeakPolarHBondContact O-CB 3.38Å; D99-N103 PolarHBondContact O-N 3.43Å; D99-N103 PolarHBondContact O-ND2 3.05Å; D99-N103 PolarHBondContact OD2-ND2 3.05Å; S100-N103 PolarHBondContact O-N 3.49Å
104	S	53.8	Low	57.5	Low	94 Å²	94	73.8 Å²	73.8	66%	0.657	41%	0.413	S	S	*	.	H	α-helix	trans	-78.3	-29	176.1	-169.3	0	0	0	0	113.6	S100 K101 N102	S100-S104 WeakPolarHBondContact O-CB 3.32Å; S100-S104 PolarHBondContact O-N 3.23Å; K101-S104 PolarHBondContact O-N 3.34Å; N102-S104 VanDerWaalsContact C-N 3.29Å; N102-S104 PolarHBondContact O-N 3.4Å
105	K	50.7	Low	55.9	Low	83 Å²	83	75.3 Å²	75.3	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-101.5	-8.2	178.6	-71.7	177.5	175.6	168.9	0	114.1	N59 K101 N102 G107 N108 T109	N59-K105 PolarHBondContact O-NZ 2.99Å; K101-K105 HydrophobicContact CG-CD 4.18Å; K101-K105 WeakPolarHBondContact O-CB 3.31Å; K101-K105 PolarHBondContact O-N 3.05Å; N102-K105 CarbonylContact O-C 3.59Å; N102-K105 PolarHBondContact O-N 3.14Å; K105-G107 VanDerWaalsContact C-N 3.34Å; K105-G107 PolarHBondContact O-N 3.34Å; K105-N108 PolarHBondContact O-N 2.94Å; K105-T109 PolarHBondContact O-N 3.3Å; K105-T109 PolarHBondContact O-OG1 3.24Å
106	S	45.4	Very low	54.8	Low	45 Å²	45	74 Å²	74	32%	0.315	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.2	-162.8	-127.3	0	0	0	0	113.9	N102 N108	N102-S106 WeakPolarHBondContact O-CA 3.29Å; N102-S106 WeakPolarHBondContact O-CB 3.39Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.38Å; S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.81Å
107	G	39.4	Very low	53.8	Low	58 Å²	58	82.5 Å²	82.5	60%	0.598	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.8	-178.6	0	0	0	0	0	113.9	K105	K105-G107 VanDerWaalsContact C-N 3.34Å; K105-G107 PolarHBondContact O-N 3.34Å
108	N	41.4	Very low	53	Low	132 Å²	132	88.8 Å²	88.8	71%	0.706	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-19.7	-167.8	-69.7	-27.5	0	0	0	114.7	K105 S106	K105-N108 PolarHBondContact O-N 2.94Å; S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.81Å
109	T	44.7	Very low	52.5	Low	77 Å²	77	88.1 Å²	88.1	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-98	-32.9	-175.9	-44.2	0	0	0	0	113.2	K105 L111 N112 A113	K105-T109 PolarHBondContact O-N 3.3Å; K105-T109 PolarHBondContact O-OG1 3.24Å; T109-L111 VanDerWaalsContact C-N 3.33Å; T109-N112 PolarHBondContact O-N 3.09Å; T109-A113 WeakPolarHBondContact O-CB 3.5Å; T109-A113 PolarHBondContact O-N 2.79Å
110	L	40.2	Very low	52.7	Low	86 Å²	86	93 Å²	93	45%	0.45	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-39.2	173.8	-107	163.7	0	0	0	111.4	N112 A113 Y114	L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3Å; L110-A113 PolarHBondContact O-N 2.92Å; L110-Y114 HydrophobicContact CD2-CD2 3.82Å; L110-Y114 HydrophobicContact CD2-CE2 3.6Å; L110-Y114 WeakPolarHBondContact O-CB 3.36Å; L110-Y114 WeakPolarHBondContact O-CD2 3.41Å; L110-Y114 PolarHBondContact O-N 3.14Å; L110-Y114 VanDerWaalsContact O-N 3.16Å
111	L	37.4	Very low	53.3	Low	121 Å²	121	95.9 Å²	95.9	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-65.9	-34	174.3	-132.5	154	0	0	0	111.8	T109 N115	T109-L111 VanDerWaalsContact C-N 3.33Å; L111-N115 VanDerWaalsContact O-CG 3.27Å; L111-N115 PolarHBondContact O-N 3.04Å; L111-N115 PolarHBondContact O-OD1 2.79Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å
112	N	37	Very low	54	Low	99 Å²	99	100.2 Å²	100.2	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-79.2	-30.5	177.8	-88.7	-13.4	0	0	0	114.7	T109 L110 Y114 N115	T109-N112 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact C-N 3.31Å; L110-N112 PolarHBondContact O-N 3Å; N112-Y114 VanDerWaalsContact C-N 3.35Å; N112-N115 WeakPolarHBondContact CA-ND2 3.18Å; N112-N115 PolarHBondContact OD1-ND2 3.18Å
113	A	42.1	Very low	55	Low	58 Å²	58	97.2 Å²	97.2	48%	0.479	51%	0.505	S	S	.	.	H	α-helix	trans	-74	-27.5	173.9	0	0	0	0	0	112.4	T109 L110 N522	T109-A113 WeakPolarHBondContact O-CB 3.5Å; T109-A113 PolarHBondContact O-N 2.79Å; L110-A113 PolarHBondContact O-N 2.92Å; A113-N522 PolarHBondContact O-ND2 2.99Å
114	Y	47.7	Very low	56.3	Low	123 Å²	123	94.2 Å²	94.2	48%	0.482	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.9	175.3	-81.9	-90.7	0	0	0	114	L110 N112 F116	L110-Y114 HydrophobicContact CD2-CD2 3.82Å; L110-Y114 HydrophobicContact CD2-CE2 3.6Å; L110-Y114 WeakPolarHBondContact O-CB 3.36Å; L110-Y114 WeakPolarHBondContact O-CD2 3.41Å; L110-Y114 PolarHBondContact O-N 3.14Å; L110-Y114 VanDerWaalsContact O-N 3.16Å; N112-Y114 VanDerWaalsContact C-N 3.35Å; Y114-F116 VanDerWaalsContact C-N 3.28Å; Y114-F116 PolarHBondContact O-N 3.34Å
115	N	49.4	Very low	58	Low	55 Å²	55	94.7 Å²	94.7	29%	0.294	48%	0.48	S	S	.	.			trans	-66.8	95.7	171.1	-80.2	-27.7	0	0	0	108.2	L111 N112 W117 N118	L111-N115 VanDerWaalsContact O-CG 3.27Å; L111-N115 PolarHBondContact O-N 3.04Å; L111-N115 PolarHBondContact O-OD1 2.79Å; L111-N115 VanDerWaalsContact O-OD1 3.07Å; N112-N115 WeakPolarHBondContact CA-ND2 3.18Å; N112-N115 PolarHBondContact OD1-ND2 3.18Å; N115-W117 PolarHBondContact O-N 2.89Å; N115-N118 HydrophobicContact CB-CB 4.34Å; N115-N118 WeakPolarHBondContact O-CB 3.29Å; N115-N118 PolarHBondContact O-N 3.03Å
116	F	54.4	Low	59.9	Low	76 Å²	76	91.7 Å²	91.7	33%	0.333	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-40.3	-28.2	167.5	-176	-102.1	0	0	0	113.4	Y114 I119 W124 L515	Y114-F116 VanDerWaalsContact C-N 3.28Å; Y114-F116 PolarHBondContact O-N 3.34Å; F116-I119 WeakPolarHBondContact O-CG1 3.48Å; F116-W124 HydrophobicContact CD1-CH2 4.37Å; F116-W124 AromaticContact CD1-CZ2 3.9Å; F116-W124 HydrophobicContact CD1-CZ2 3.9Å; F116-W124 HydrophobicContact CD2-CH2 4.49Å; F116-W124 HydrophobicContact CD2-CZ2 4.13Å; F116-W124 AromaticContact CE1-CH2 3.46Å; F116-W124 HydrophobicContact CE1-CH2 3.46Å; F116-W124 VanDerWaalsContact CE1-CH2 3.46Å; F116-W124 AromaticContact CE1-CZ2 3.42Å; F116-W124 HydrophobicContact CE1-CZ2 3.42Å; F116-W124 VanDerWaalsContact CE1-CZ2 3.42Å; F116-W124 HydrophobicContact CE1-CZ3 4.47Å; F116-W124 AromaticContact CE2-CH2 3.6Å; F116-W124 HydrophobicContact CE2-CH2 3.6Å; F116-W124 AromaticContact CE2-CZ2 3.69Å; F116-W124 HydrophobicContact CE2-CZ2 3.69Å; F116-W124 HydrophobicContact CG-CZ2 4.26Å; F116-W124 AromaticContact CZ-CH2 3.05Å; F116-W124 HydrophobicContact CZ-CH2 3.05Å; F116-W124 AromaticContact CZ-CZ2 3.36Å; F116-W124 HydrophobicContact CZ-CZ2 3.36Å; F116-W124 HydrophobicContact CZ-CZ3 4.17Å; F116-L515 HydrophobicContact CZ-CD2 4.17Å
117	W	54	Low	62.2	Low	223 Å²	223	89.5 Å²	89.5	85%	0.845	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-78.8	-12.5	177.7	-60.1	101.7	0	0	0	115.7	N115 I119	N115-W117 PolarHBondContact O-N 2.89Å; W117-I119 VanDerWaalsContact C-N 3.27Å
118	N	59.2	Low	64.8	Low	133 Å²	133	90.6 Å²	90.6	71%	0.711	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-86.6	1.3	179	-160.1	27.7	0	0	0	113	N115	N115-N118 HydrophobicContact CB-CB 4.34Å; N115-N118 WeakPolarHBondContact O-CB 3.29Å; N115-N118 PolarHBondContact O-N 3.03Å
119	I	67.5	Low	67.3	Low	16 Å²	16	89 Å²	89	8%	0.082	44%	0.438	C	S	.	.	S	Bend	trans	-74	135.6	176.1	-59.6	175.8	0	0	0	108.4	F116 W117 V123 I518	F116-I119 WeakPolarHBondContact O-CG1 3.48Å; W117-I119 VanDerWaalsContact C-N 3.27Å; I119-V123 HydrophobicContact CG2-CB 4Å; I119-V123 HydrophobicContact CG2-CG1 3.87Å; I119-I518 HydrophobicContact CD1-CG2 3.3Å; I119-I518 HydrophobicContact CG2-CG2 4.14Å
120	R	75.3	Confident	69.6	Low	195 Å²	195	85.9 Å²	85.9	74%	0.736	42%	0.419	S	S	*	.			trans	-51.6	126.5	-176.1	-65.5	178.2	-178.7	174.4	1.8	109.4	K122 V123	R120-K122 PolarHBondContact O-N 3.22Å; R120-V123 HydrophobicContact CB-CG2 4.07Å; R120-V123 VanDerWaalsContact O-CB 3.3Å; R120-V123 WeakPolarHBondContact O-CB 3.44Å; R120-V123 PolarHBondContact O-N 2.99Å
121	P	81.7	Confident	72.1	Confident	95 Å²	95	81.8 Å²	81.8	62%	0.617	40%	0.398	S	S	*	.	H	α-helix	trans	-59.3	-23.7	-177	21.9	-33.6	0	0	0	113.1	V123 W124 I125	P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 3.32Å; P121-W124 PolarHBondContact O-N 3.28Å; P121-I125 WeakPolarHBondContact O-CG1 3.21Å; P121-I125 PolarHBondContact O-N 2.99Å; P121-I125 VanDerWaalsContact O-N 3.13Å
122	K	84.5	Confident	74.8	Confident	153 Å²	153	83.2 Å²	83.2	67%	0.665	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-38.2	172.1	-66.7	-173.7	177.1	-175.8	0	113	R120 I125 A126 I464	R120-K122 PolarHBondContact O-N 3.22Å; K122-I125 PolarHBondContact O-N 3.31Å; K122-A126 VanDerWaalsContact O-CB 3.22Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.46Å; K122-I464 HydrophobicContact CB-CD1 4.12Å; K122-I464 HydrophobicContact CD-CD1 4.37Å
123	V	86.7	Confident	77.4	Confident	10 Å²	10	82 Å²	82	6%	0.061	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-49.6	179.6	169.9	0	0	0	0	109.7	I119 R120 P121 I125 A126 S127 F460	I119-V123 HydrophobicContact CG2-CB 4Å; I119-V123 HydrophobicContact CG2-CG1 3.87Å; R120-V123 HydrophobicContact CB-CG2 4.07Å; R120-V123 VanDerWaalsContact O-CB 3.3Å; R120-V123 WeakPolarHBondContact O-CB 3.44Å; R120-V123 PolarHBondContact O-N 2.99Å; P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 3.32Å; V123-I125 PolarHBondContact O-N 3.43Å; V123-A126 PolarHBondContact O-N 3.49Å; V123-S127 WeakPolarHBondContact O-CB 3.35Å; V123-S127 PolarHBondContact O-N 2.99Å; V123-S127 PolarHBondContact O-OG 3.3Å; V123-S127 VanDerWaalsContact O-OG 3.11Å; V123-F460 HydrophobicContact CG1-CB 3.97Å; V123-F460 WeakPolarHBondContact CG1-O 3.46Å; V123-F460 WeakPolarHBondContact CG2-O 3.49Å
124	W	89	Confident	79.7	Confident	46 Å²	46	79.6 Å²	79.6	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-56	-47.3	176.3	-80	103.4	0	0	0	113.2	F116 P121 S127 L128 M514 L515 I518	F116-W124 HydrophobicContact CD1-CH2 4.37Å; F116-W124 AromaticContact CD1-CZ2 3.9Å; F116-W124 HydrophobicContact CD1-CZ2 3.9Å; F116-W124 HydrophobicContact CD2-CH2 4.49Å; F116-W124 HydrophobicContact CD2-CZ2 4.13Å; F116-W124 AromaticContact CE1-CH2 3.46Å; F116-W124 HydrophobicContact CE1-CH2 3.46Å; F116-W124 VanDerWaalsContact CE1-CH2 3.46Å; F116-W124 AromaticContact CE1-CZ2 3.42Å; F116-W124 HydrophobicContact CE1-CZ2 3.42Å; F116-W124 VanDerWaalsContact CE1-CZ2 3.42Å; F116-W124 HydrophobicContact CE1-CZ3 4.47Å; F116-W124 AromaticContact CE2-CH2 3.6Å; F116-W124 HydrophobicContact CE2-CH2 3.6Å; F116-W124 AromaticContact CE2-CZ2 3.69Å; F116-W124 HydrophobicContact CE2-CZ2 3.69Å; F116-W124 HydrophobicContact CG-CZ2 4.26Å; F116-W124 AromaticContact CZ-CH2 3.05Å; F116-W124 HydrophobicContact CZ-CH2 3.05Å; F116-W124 AromaticContact CZ-CZ2 3.36Å; F116-W124 HydrophobicContact CZ-CZ2 3.36Å; F116-W124 HydrophobicContact CZ-CZ3 4.17Å; P121-W124 PolarHBondContact O-N 3.28Å; W124-S127 PolarHBondContact O-OG 3.04Å; W124-S127 VanDerWaalsContact O-OG 3.06Å; W124-L128 WeakPolarHBondContact O-CB 3.34Å; W124-L128 WeakPolarHBondContact O-CD1 3.41Å; W124-L128 VanDerWaalsContact O-CG 3.23Å; W124-L128 WeakPolarHBondContact O-CG 3.42Å; W124-L128 PolarHBondContact O-N 3.46Å; W124-L128 VanDerWaalsContact O-N 3.12Å; W124-M514 HydrophobicContact CZ3-CE 4.22Å; W124-L515 HydrophobicContact CH2-CD2 3.67Å; W124-L515 HydrophobicContact CZ3-CD2 3.45Å; W124-L515 VanDerWaalsContact CZ3-CD2 3.45Å; W124-I518 HydrophobicContact CD2-CD1 4.46Å; W124-I518 HydrophobicContact CE3-CD1 4.15Å; W124-I518 HydrophobicContact CH2-CB 4.4Å; W124-I518 HydrophobicContact CH2-CD1 4.14Å; W124-I518 HydrophobicContact CH2-CG2 3.96Å; W124-I518 HydrophobicContact CZ2-CG2 3.6Å; W124-I518 HydrophobicContact CZ3-CD1 3.99Å
125	I	90.6	Very high	81.8	Confident	104 Å²	104	75 Å²	75	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-68.8	-44.4	-179	-66.5	167.4	0	0	0	110.2	P121 K122 V123 L128 I129	P121-I125 WeakPolarHBondContact O-CG1 3.21Å; P121-I125 PolarHBondContact O-N 2.99Å; P121-I125 VanDerWaalsContact O-N 3.13Å; K122-I125 PolarHBondContact O-N 3.31Å; V123-I125 PolarHBondContact O-N 3.43Å; I125-L128 PolarHBondContact O-N 3.4Å; I125-I129 HydrophobicContact CG2-CD1 3.62Å; I125-I129 HydrophobicContact CG2-CG1 4.37Å; I125-I129 WeakPolarHBondContact O-CB 3.38Å; I125-I129 WeakPolarHBondContact O-CG1 3.49Å; I125-I129 PolarHBondContact O-N 3.23Å
126	A	91.1	Very high	83.7	Confident	20 Å²	20	74 Å²	74	17%	0.165	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-41.7	-179.5	0	0	0	0	0	112.4	K122 V123 S130 F460	K122-A126 VanDerWaalsContact O-CB 3.22Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.46Å; V123-A126 PolarHBondContact O-N 3.49Å; A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 3.47Å; A126-S130 PolarHBondContact O-OG 3.22Å; A126-F460 HydrophobicContact CB-CD1 3.96Å; A126-F460 HydrophobicContact CB-CE1 3.56Å; A126-F460 HydrophobicContact CB-CZ 4.11Å
127	S	92.2	Very high	85.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-43.4	178.4	68	0	0	0	0	111.9	V123 W124 S130 I131 M514 I518	V123-S127 WeakPolarHBondContact O-CB 3.35Å; V123-S127 PolarHBondContact O-N 2.99Å; V123-S127 PolarHBondContact O-OG 3.3Å; V123-S127 VanDerWaalsContact O-OG 3.11Å; W124-S127 PolarHBondContact O-OG 3.04Å; W124-S127 VanDerWaalsContact O-OG 3.06Å; S127-S130 PolarHBondContact O-N 2.91Å; S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 3.3Å; S127-M514 WeakPolarHBondContact CB-SD 3.35Å; S127-M514 PolarHBondContact OG-SD 3.16Å; S127-I518 WeakPolarHBondContact OG-CD1 3.47Å
128	L	94	Very high	86.6	Confident	81 Å²	81	61.7 Å²	61.7	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-43	176.3	-76	171.4	0	0	0	112.4	W124 I125 S130 F132 L511 M514	W124-L128 WeakPolarHBondContact O-CB 3.34Å; W124-L128 WeakPolarHBondContact O-CD1 3.41Å; W124-L128 VanDerWaalsContact O-CG 3.23Å; W124-L128 WeakPolarHBondContact O-CG 3.42Å; W124-L128 PolarHBondContact O-N 3.46Å; W124-L128 VanDerWaalsContact O-N 3.12Å; I125-L128 PolarHBondContact O-N 3.4Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-F132 VanDerWaalsContact O-CB 3.31Å; L128-F132 WeakPolarHBondContact O-CB 3.23Å; L128-F132 PolarHBondContact O-N 3.07Å; L128-L511 HydrophobicContact CD2-CD2 3.98Å; L128-M514 HydrophobicContact CD2-CE 3.67Å; L128-M514 HydrophobicContact CD2-SD 4.22Å; L128-M514 HydrophobicContact CG-CE 4.16Å; L128-M514 HydrophobicContact CG-SD 4.38Å
129	I	93.6	Very high	87.8	Confident	98 Å²	98	57.8 Å²	57.8	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.9	-71.5	169.2	0	0	0	110	I125 F132 V133	I125-I129 HydrophobicContact CG2-CD1 3.62Å; I125-I129 HydrophobicContact CG2-CG1 4.37Å; I125-I129 WeakPolarHBondContact O-CB 3.38Å; I125-I129 WeakPolarHBondContact O-CG1 3.49Å; I125-I129 PolarHBondContact O-N 3.23Å; I129-F132 PolarHBondContact O-N 3.18Å; I129-V133 HydrophobicContact CG2-CG2 4.37Å; I129-V133 VanDerWaalsContact O-CG2 3.29Å; I129-V133 WeakPolarHBondContact O-CG2 3.28Å; I129-V133 PolarHBondContact O-N 2.86Å
130	S	92.9	Very high	88.5	Confident	12 Å²	12	62.3 Å²	62.3	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-47.4	-179.1	-58	0	0	0	0	111.6	A126 S127 L128 F132 V133 I134 F460 S471	A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 3.47Å; A126-S130 PolarHBondContact O-OG 3.22Å; S127-S130 PolarHBondContact O-N 2.91Å; L128-S130 VanDerWaalsContact C-N 3.31Å; S130-F132 PolarHBondContact O-N 2.94Å; S130-V133 PolarHBondContact O-N 2.89Å; S130-I134 VanDerWaalsContact O-CG1 3.27Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.59Å; S130-F460 WeakPolarHBondContact OG-CE2 3.26Å; S130-F460 VanDerWaalsContact OG-CZ 3.25Å; S130-F460 WeakPolarHBondContact OG-CZ 3.24Å; S130-S471 WeakPolarHBondContact CB-OG 3.23Å
131	I	93.3	Very high	88.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-39.9	177.6	-66.5	175.8	0	0	0	111.6	S127 V133 I134 S135 I456 C510 L511 M514	S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 3.3Å; I131-V133 VanDerWaalsContact C-N 3.31Å; I131-V133 PolarHBondContact O-N 2.94Å; I131-I134 PolarHBondContact O-N 3.33Å; I131-S135 VanDerWaalsContact O-CB 3.27Å; I131-S135 WeakPolarHBondContact O-CB 3.4Å; I131-S135 PolarHBondContact O-N 3.42Å; I131-S135 PolarHBondContact O-OG 3.25Å; I131-I456 HydrophobicContact CG1-CD1 4.44Å; I131-I456 HydrophobicContact CG1-CG2 4.41Å; I131-C510 HydrophobicContact CG2-CB 4.48Å; I131-L511 HydrophobicContact CB-CD2 4.14Å; I131-L511 HydrophobicContact CD1-CD2 4.22Å; I131-L511 HydrophobicContact CG2-CD2 3.58Å; I131-L511 HydrophobicContact CG2-CG 4.03Å; I131-M514 HydrophobicContact CD1-CB 3.28Å; I131-M514 HydrophobicContact CD1-CG 3.5Å; I131-M514 VanDerWaalsContact CD1-CG 3.5Å; I131-M514 HydrophobicContact CD1-SD 3.39Å; I131-M514 WeakPolarHBondContact CD1-SD 3.41Å; I131-M514 HydrophobicContact CG1-SD 4.43Å
132	F	93.6	Very high	88.2	Confident	151 Å²	151	49.4 Å²	49.4	66%	0.662	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-43.1	175.8	-179.7	-96.3	0	0	0	111.5	L128 I129 S130 A136	L128-F132 VanDerWaalsContact O-CB 3.31Å; L128-F132 WeakPolarHBondContact O-CB 3.23Å; L128-F132 PolarHBondContact O-N 3.07Å; I129-F132 PolarHBondContact O-N 3.18Å; S130-F132 PolarHBondContact O-N 2.94Å; F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3.41Å
133	V	91.9	Very high	87.7	Confident	72 Å²	72	43.8 Å²	43.8	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-47.3	177.4	171	0	0	0	0	111.3	I129 S130 I131 A136 V137	I129-V133 HydrophobicContact CG2-CG2 4.37Å; I129-V133 VanDerWaalsContact O-CG2 3.29Å; I129-V133 WeakPolarHBondContact O-CG2 3.28Å; I129-V133 PolarHBondContact O-N 2.86Å; S130-V133 PolarHBondContact O-N 2.89Å; I131-V133 VanDerWaalsContact C-N 3.31Å; I131-V133 PolarHBondContact O-N 2.94Å; V133-A136 PolarHBondContact O-N 3.32Å; V133-V137 WeakPolarHBondContact O-CG2 3.4Å; V133-V137 PolarHBondContact O-N 3.1Å
134	I	92	Very high	87.2	Confident	8 Å²	8	47 Å²	47	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-51.1	178.8	-67	164	0	0	0	110.2	S130 I131 A136 V137 G138 I456 V474 F475 E478	S130-I134 VanDerWaalsContact O-CG1 3.27Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.59Å; I131-I134 PolarHBondContact O-N 3.33Å; I134-A136 PolarHBondContact O-N 3.35Å; I134-V137 PolarHBondContact O-N 2.94Å; I134-G138 PolarHBondContact O-N 3.47Å; I134-I456 HydrophobicContact CD1-CD1 3.61Å; I134-V474 HydrophobicContact CD1-CB 4.41Å; I134-V474 HydrophobicContact CD1-CG1 4.16Å; I134-V474 HydrophobicContact CG2-CG1 4.4Å; I134-F475 HydrophobicContact CG1-CB 4.14Å; I134-F475 HydrophobicContact CG1-CD2 4.46Å; I134-E478 HydrophobicContact CG2-CB 4.13Å; I134-E478 HydrophobicContact CG2-CG 3.77Å
135	S	90.5	Very high	86.4	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-41.4	-179.9	-52.7	0	0	0	0	112.2	I131 V137 G138 L139	I131-S135 VanDerWaalsContact O-CB 3.27Å; I131-S135 WeakPolarHBondContact O-CB 3.4Å; I131-S135 PolarHBondContact O-N 3.42Å; I131-S135 PolarHBondContact O-OG 3.25Å; S135-V137 VanDerWaalsContact C-N 3.32Å; S135-V137 PolarHBondContact O-N 2.93Å; S135-G138 PolarHBondContact O-N 3.21Å; S135-L139 WeakPolarHBondContact O-CB 3.23Å; S135-L139 PolarHBondContact O-N 3Å
136	A	89.4	Confident	85.5	Confident	35 Å²	35	44.1 Å²	44.1	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-38.6	178.1	0	0	0	0	0	111.5	F132 V133 I134 L140	F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3.41Å; V133-A136 PolarHBondContact O-N 3.32Å; I134-A136 PolarHBondContact O-N 3.35Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.47Å
137	V	85.4	Confident	84.5	Confident	38 Å²	38	49.8 Å²	49.8	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-73.9	-38.2	178.3	175.7	0	0	0	0	111.9	V133 I134 S135 L139 L140 G141 F475 L479	V133-V137 WeakPolarHBondContact O-CG2 3.4Å; V133-V137 PolarHBondContact O-N 3.1Å; I134-V137 PolarHBondContact O-N 2.94Å; S135-V137 VanDerWaalsContact C-N 3.32Å; S135-V137 PolarHBondContact O-N 2.93Å; V137-L139 VanDerWaalsContact C-N 3.33Å; V137-L139 PolarHBondContact O-N 3.46Å; V137-L140 PolarHBondContact O-N 3.26Å; V137-G141 PolarHBondContact O-N 2.91Å; V137-F475 HydrophobicContact CB-CD2 4.48Å; V137-F475 HydrophobicContact CB-CE2 3.69Å; V137-F475 HydrophobicContact CG1-CE2 3.51Å; V137-F475 HydrophobicContact CG1-CZ 3.97Å; V137-F475 HydrophobicContact CG2-CE2 3.84Å; V137-L479 HydrophobicContact CG1-CB 4.5Å; V137-L479 HydrophobicContact CG1-CD1 3.72Å; V137-L479 HydrophobicContact CG1-CG 4.22Å
138	G	83.5	Confident	83.4	Confident	2 Å²	2	52 Å²	52	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-54.9	-49.9	170.1	0	0	0	0	0	111.4	I134 S135 L140 G141 V142	I134-G138 PolarHBondContact O-N 3.47Å; S135-G138 PolarHBondContact O-N 3.21Å; G138-L140 PolarHBondContact O-N 3.41Å; G138-G141 PolarHBondContact O-N 3.02Å; G138-V142 WeakPolarHBondContact O-CG2 3.45Å; G138-V142 PolarHBondContact O-N 2.94Å; G138-V142 VanDerWaalsContact O-N 3.12Å
139	L	84.8	Confident	81.8	Confident	52 Å²	52	54.6 Å²	54.6	27%	0.272	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-36.9	177.7	-169.9	142	0	0	0	113.4	S135 V137 G143 M500 I504	S135-L139 WeakPolarHBondContact O-CB 3.23Å; S135-L139 PolarHBondContact O-N 3Å; V137-L139 VanDerWaalsContact C-N 3.33Å; V137-L139 PolarHBondContact O-N 3.46Å; L139-G143 PolarHBondContact O-N 3.43Å; L139-M500 HydrophobicContact CD1-CE 4.45Å; L139-M500 HydrophobicContact CD2-CE 3.97Å; L139-M500 HydrophobicContact CG-CE 4.12Å; L139-I504 HydrophobicContact CD1-CD1 4.08Å; L139-I504 HydrophobicContact CD1-CG1 3.73Å
140	L	82.4	Confident	80.6	Confident	111 Å²	111	58.4 Å²	58.4	58%	0.581	32%	0.324	S	S	*	.	H	α-helix	trans	-68.4	-38.3	173.8	-75.9	172.9	0	0	0	111.9	A136 V137 G138 V142 G143 V144	A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.47Å; V137-L140 PolarHBondContact O-N 3.26Å; G138-L140 PolarHBondContact O-N 3.41Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.46Å; L140-G143 CarbonylContact O-C 3.57Å; L140-G143 WeakPolarHBondContact O-CA 3.27Å; L140-G143 PolarHBondContact O-N 2.86Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.05Å
141	G	76.3	Confident	79.4	Confident	16 Å²	16	62.5 Å²	62.5	17%	0.165	35%	0.348	C	S	.	.	H	α-helix	trans	-56.1	-46.4	174.7	0	0	0	0	0	111	V137 G138 G143 V144 V145 L483	V137-G141 PolarHBondContact O-N 2.91Å; G138-G141 PolarHBondContact O-N 3.02Å; G141-G143 PolarHBondContact O-N 3.12Å; G141-V144 PolarHBondContact O-N 2.77Å; G141-V145 PolarHBondContact O-N 3.48Å; G141-L483 WeakPolarHBondContact O-CD1 3.43Å
142	V	75.5	Confident	78.5	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.012	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-42.8	172.7	171	0	0	0	0	112.3	G138 L140 V144 V145 P146 F486 M500	G138-V142 WeakPolarHBondContact O-CG2 3.45Å; G138-V142 PolarHBondContact O-N 2.94Å; G138-V142 VanDerWaalsContact O-N 3.12Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.46Å; V142-V144 VanDerWaalsContact C-N 3.27Å; V142-V144 PolarHBondContact O-N 3.3Å; V142-V145 WeakPolarHBondContact O-CB 3.2Å; V142-V145 PolarHBondContact O-N 2.76Å; V142-P146 WeakPolarHBondContact O-CD 3.39Å; V142-F486 HydrophobicContact CB-CD2 4.27Å; V142-F486 HydrophobicContact CB-CG 4.3Å; V142-F486 HydrophobicContact CG1-CD1 4.05Å; V142-F486 HydrophobicContact CG1-CD2 3.32Å; V142-F486 HydrophobicContact CG1-CE1 3.93Å; V142-F486 HydrophobicContact CG1-CE2 3.22Å; V142-F486 HydrophobicContact CG1-CG 3.73Å; V142-F486 HydrophobicContact CG1-CZ 3.54Å; V142-F486 HydrophobicContact CG2-CB 3.89Å; V142-F486 HydrophobicContact CG2-CD2 4.05Å; V142-F486 HydrophobicContact CG2-CG 3.91Å; V142-M500 HydrophobicContact CG1-CG 3.86Å
143	G	72.8	Confident	77.7	Confident	35 Å²	35	62.7 Å²	62.7	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-26.3	177.1	0	0	0	0	0	114.5	L139 L140 G141 P146	L139-G143 PolarHBondContact O-N 3.43Å; L140-G143 CarbonylContact O-C 3.57Å; L140-G143 WeakPolarHBondContact O-CA 3.27Å; L140-G143 PolarHBondContact O-N 2.86Å; G141-G143 PolarHBondContact O-N 3.12Å; G143-P146 WeakPolarHBondContact O-CD 3.28Å; G143-P146 WeakPolarHBondContact O-CG 3.42Å
144	V	75.6	Confident	76.9	Confident	77 Å²	77	61.9 Å²	61.9	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-80	-26.2	178.6	172.7	0	0	0	0	112.1	L140 G141 V142 L147 V148	L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.05Å; G141-V144 PolarHBondContact O-N 2.77Å; V142-V144 VanDerWaalsContact C-N 3.27Å; V142-V144 PolarHBondContact O-N 3.3Å; V144-L147 WeakPolarHBondContact O-CA 3.42Å; V144-L147 VanDerWaalsContact O-CB 3.29Å; V144-L147 WeakPolarHBondContact O-CB 3.47Å; V144-L147 PolarHBondContact O-N 2.98Å; V144-V148 HydrophobicContact CG1-CG2 4.1Å; V144-V148 PolarHBondContact O-N 3.42Å
145	V	72.8	Confident	76.3	Confident	10 Å²	10	65 Å²	65	6%	0.061	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-48.2	-51.2	178.9	170.2	0	0	0	0	114.3	G141 V142 L147 V148 F153 L483 F486 L490	G141-V145 PolarHBondContact O-N 3.48Å; V142-V145 WeakPolarHBondContact O-CB 3.2Å; V142-V145 PolarHBondContact O-N 2.76Å; V145-L147 PolarHBondContact O-N 2.82Å; V145-L147 VanDerWaalsContact O-N 3.14Å; V145-V148 PolarHBondContact O-N 3.43Å; V145-V148 VanDerWaalsContact O-N 3.1Å; V145-F153 HydrophobicContact CB-CE2 4.49Å; V145-F153 HydrophobicContact CG1-CE2 3.57Å; V145-F153 HydrophobicContact CG1-CZ 3.91Å; V145-L483 HydrophobicContact CG2-CD1 3.16Å; V145-L483 HydrophobicContact CG2-CG 4.08Å; V145-F486 HydrophobicContact CB-CD1 4.06Å; V145-F486 HydrophobicContact CB-CE1 3.69Å; V145-F486 HydrophobicContact CG1-CD1 4.04Å; V145-F486 HydrophobicContact CG1-CE1 3.63Å; V145-F486 HydrophobicContact CG2-CD1 3.8Å; V145-F486 HydrophobicContact CG2-CE1 3.97Å; V145-L490 HydrophobicContact CG1-CD1 4.2Å
146	P	71.3	Confident	75.9	Confident	81 Å²	81	66.5 Å²	66.5	53%	0.526	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-64.3	-16.9	178.5	24.4	-34.8	0	0	0	113.9	V142 G143	V142-P146 WeakPolarHBondContact O-CD 3.39Å; G143-P146 WeakPolarHBondContact O-CD 3.28Å; G143-P146 WeakPolarHBondContact O-CG 3.42Å
147	L	70.3	Confident	75.4	Confident	139 Å²	139	65.1 Å²	65.1	73%	0.728	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-87.8	-20.2	176.4	-57.8	174.7	0	0	0	112.7	V144 V145 Q149	V144-L147 WeakPolarHBondContact O-CA 3.42Å; V144-L147 VanDerWaalsContact O-CB 3.29Å; V144-L147 WeakPolarHBondContact O-CB 3.47Å; V144-L147 PolarHBondContact O-N 2.98Å; V145-L147 PolarHBondContact O-N 2.82Å; V145-L147 VanDerWaalsContact O-N 3.14Å; L147-Q149 PolarHBondContact O-N 3.04Å
148	V	69	Low	75.2	Confident	46 Å²	46	63.4 Å²	63.4	28%	0.279	34%	0.342	S	S	.	.	S	Bend	trans	-71.2	120.4	177.7	-179.2	0	0	0	0	108.9	V144 V145 K150 F153	V144-V148 HydrophobicContact CG1-CG2 4.1Å; V144-V148 PolarHBondContact O-N 3.42Å; V145-V148 PolarHBondContact O-N 3.43Å; V145-V148 VanDerWaalsContact O-N 3.1Å; V148-K150 PolarHBondContact O-N 3.46Å; V148-F153 HydrophobicContact CB-CD2 4.22Å; V148-F153 HydrophobicContact CG1-CB 4.4Å; V148-F153 HydrophobicContact CG1-CD2 4.13Å
149	Q	61.2	Low	75.4	Confident	135 Å²	135	66.6 Å²	66.6	63%	0.631	35%	0.354	S	S	*	.			trans	-53.9	133.7	-179.7	-67.8	-178.5	-14.6	0	0	111.1	L147 V151 F152 F153	L147-Q149 PolarHBondContact O-N 3.04Å; Q149-V151 PolarHBondContact O-N 2.9Å; Q149-F152 PolarHBondContact O-N 3.06Å; Q149-F153 PolarHBondContact O-N 3.13Å
150	K	68.2	Low	75.5	Confident	179 Å²	179	65.7 Å²	65.7	78%	0.778	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-18.8	-179.8	-65.8	-177.1	-179.5	175.5	0	114.3	V148 R556	V148-K150 PolarHBondContact O-N 3.46Å; K150-R556 PolarHBondContact O-NH1 3.31Å
151	V	67.7	Low	75.6	Confident	97 Å²	97	60.5 Å²	60.5	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.6	-176.2	-173.7	0	0	0	0	112.2	Q149	Q149-V151 PolarHBondContact O-N 2.9Å
152	F	75	Confident	76.3	Confident	113 Å²	113	59.7 Å²	59.7	50%	0.496	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11	-176.9	-63.4	-74	0	0	0	113.5	Q149 N154 Q155 V156	Q149-F152 PolarHBondContact O-N 3.06Å; F152-N154 VanDerWaalsContact C-N 3.33Å; F152-N154 PolarHBondContact O-N 3.18Å; F152-Q155 PolarHBondContact O-N 2.85Å; F152-V156 HydrophobicContact CB-CG2 4.26Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 3.48Å
153	F	75.4	Confident	77	Confident	43 Å²	43	60.4 Å²	60.4	19%	0.189	32%	0.317	C	S	.	.	H	α-helix	trans	-46.2	-51.5	-176.2	-174.7	-107	0	0	0	113.2	V145 V148 Q149 Q155 V156 I157 A487	V145-F153 HydrophobicContact CB-CE2 4.49Å; V145-F153 HydrophobicContact CG1-CE2 3.57Å; V145-F153 HydrophobicContact CG1-CZ 3.91Å; V148-F153 HydrophobicContact CB-CD2 4.22Å; V148-F153 HydrophobicContact CG1-CB 4.4Å; V148-F153 HydrophobicContact CG1-CD2 4.13Å; Q149-F153 PolarHBondContact O-N 3.13Å; F153-Q155 PolarHBondContact O-N 3.19Å; F153-V156 PolarHBondContact O-N 2.76Å; F153-I157 HydrophobicContact CD1-CG1 4.23Å; F153-I157 HydrophobicContact CD2-CG1 4.12Å; F153-I157 HydrophobicContact CE1-CG1 3.87Å; F153-I157 HydrophobicContact CE2-CD1 3.79Å; F153-I157 HydrophobicContact CE2-CG1 3.7Å; F153-I157 HydrophobicContact CG-CG1 4.36Å; F153-I157 HydrophobicContact CZ-CD1 3.82Å; F153-I157 HydrophobicContact CZ-CG1 3.59Å; F153-I157 WeakPolarHBondContact O-CB 3.46Å; F153-I157 VanDerWaalsContact O-CG1 3.28Å; F153-I157 WeakPolarHBondContact O-CG1 3.32Å; F153-I157 PolarHBondContact O-N 3.2Å; F153-A487 HydrophobicContact CZ-CB 4.37Å
154	N	75.1	Confident	77.8	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-38	-178.7	-68.2	-1.5	0	0	0	113.6	F152 Q158	F152-N154 VanDerWaalsContact C-N 3.33Å; F152-N154 PolarHBondContact O-N 3.18Å; N154-Q158 WeakPolarHBondContact O-CB 3.5Å; N154-Q158 VanDerWaalsContact O-CG 3.23Å; N154-Q158 WeakPolarHBondContact O-CG 3.49Å; N154-Q158 PolarHBondContact O-N 3.02Å
155	Q	80.3	Confident	78.6	Confident	74 Å²	74	55.2 Å²	55.2	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-70	-41.1	178.6	-71.4	178.7	-12.6	0	0	111.2	F152 F153 Q158 Y159 I567	F152-Q155 PolarHBondContact O-N 2.85Å; F153-Q155 PolarHBondContact O-N 3.19Å; Q155-Q158 PolarHBondContact O-N 2.99Å; Q155-Y159 WeakPolarHBondContact O-CB 2.98Å; Q155-Y159 PolarHBondContact O-N 3.48Å; Q155-I567 HydrophobicContact CB-CD1 4.26Å; Q155-I567 HydrophobicContact CG-CD1 4.05Å
156	V	81.7	Confident	79.5	Confident	57 Å²	57	54.7 Å²	54.7	35%	0.345	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-46.4	177.9	173.8	0	0	0	0	110.4	F152 F153 Q158 Y159 L160	F152-V156 HydrophobicContact CB-CG2 4.26Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 3.48Å; F153-V156 PolarHBondContact O-N 2.76Å; V156-Q158 PolarHBondContact O-N 3.36Å; V156-Y159 PolarHBondContact O-N 3.19Å; V156-L160 HydrophobicContact CG1-CD1 3.6Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 WeakPolarHBondContact O-CB 2.84Å; V156-L160 VanDerWaalsContact O-CG 3.23Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 2.79Å
157	I	78.8	Confident	80.5	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175.9	-66	-62.5	0	0	0	111	F153 Y159 L160 V161 L483 A487 L553	F153-I157 HydrophobicContact CD1-CG1 4.23Å; F153-I157 HydrophobicContact CD2-CG1 4.12Å; F153-I157 HydrophobicContact CE1-CG1 3.87Å; F153-I157 HydrophobicContact CE2-CD1 3.79Å; F153-I157 HydrophobicContact CE2-CG1 3.7Å; F153-I157 HydrophobicContact CG-CG1 4.36Å; F153-I157 HydrophobicContact CZ-CD1 3.82Å; F153-I157 HydrophobicContact CZ-CG1 3.59Å; F153-I157 WeakPolarHBondContact O-CB 3.46Å; F153-I157 VanDerWaalsContact O-CG1 3.28Å; F153-I157 WeakPolarHBondContact O-CG1 3.32Å; F153-I157 PolarHBondContact O-N 3.2Å; I157-Y159 VanDerWaalsContact C-N 3.33Å; I157-Y159 PolarHBondContact O-N 3.37Å; I157-L160 PolarHBondContact O-N 3.16Å; I157-L160 VanDerWaalsContact O-N 3.16Å; I157-V161 HydrophobicContact CG2-CG2 4.05Å; I157-V161 WeakPolarHBondContact O-CG2 3.49Å; I157-V161 PolarHBondContact O-N 3.35Å; I157-L483 HydrophobicContact CD1-CD2 3.56Å; I157-L483 HydrophobicContact CD1-CG 3.77Å; I157-A487 HydrophobicContact CD1-CB 4.27Å; I157-A487 HydrophobicContact CG2-CB 4.42Å; I157-L553 HydrophobicContact CG2-CD1 4.48Å
158	Q	82.5	Confident	81.6	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-42.5	177.1	-78.1	176.2	-8.1	0	0	112.8	N154 Q155 V156 A162 L553	N154-Q158 WeakPolarHBondContact O-CB 3.5Å; N154-Q158 VanDerWaalsContact O-CG 3.23Å; N154-Q158 WeakPolarHBondContact O-CG 3.49Å; N154-Q158 PolarHBondContact O-N 3.02Å; Q155-Q158 PolarHBondContact O-N 2.99Å; V156-Q158 PolarHBondContact O-N 3.36Å; Q158-A162 VanDerWaalsContact O-CB 3.23Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.13Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; Q158-L553 HydrophobicContact CG-CB 4.32Å; Q158-L553 HydrophobicContact CG-CD1 3.58Å
159	Y	87.8	Confident	82.8	Confident	69 Å²	69	43.9 Å²	43.9	27%	0.271	21%	0.214	S	C	.	.	H	α-helix	trans	-63	-44.5	174.9	175.2	-99.1	0	0	0	111.6	Q155 V156 I157 A162 L163 I567 V570	Q155-Y159 WeakPolarHBondContact O-CB 2.98Å; Q155-Y159 PolarHBondContact O-N 3.48Å; V156-Y159 PolarHBondContact O-N 3.19Å; I157-Y159 VanDerWaalsContact C-N 3.33Å; I157-Y159 PolarHBondContact O-N 3.37Å; Y159-A162 PolarHBondContact O-N 3.49Å; Y159-L163 HydrophobicContact CE1-CD1 3.86Å; Y159-L163 VanDerWaalsContact O-CB 3.26Å; Y159-L163 WeakPolarHBondContact O-CB 3.49Å; Y159-L163 PolarHBondContact O-N 3.21Å; Y159-L163 WeakPolarHBondContact OH-CD1 3.46Å; Y159-I567 HydrophobicContact CD2-CG2 4.47Å; Y159-V570 HydrophobicContact CE2-CG1 4.11Å
160	L	86.4	Confident	84.3	Confident	33 Å²	33	37.6 Å²	37.6	17%	0.173	19%	0.185	C	C	.	.	H	α-helix	trans	-70	-44.9	-176.9	-71.7	172.3	0	0	0	112.2	V156 I157 A162 L163 A164 P480 L483	V156-L160 HydrophobicContact CG1-CD1 3.6Å; V156-L160 HydrophobicContact CG1-CG 4.32Å; V156-L160 WeakPolarHBondContact O-CB 2.84Å; V156-L160 VanDerWaalsContact O-CG 3.23Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 2.79Å; I157-L160 PolarHBondContact O-N 3.16Å; I157-L160 VanDerWaalsContact O-N 3.16Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.48Å; L160-L163 CarbonylContact O-C 3.6Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.15Å; L160-A164 PolarHBondContact O-N 3.33Å; L160-P480 HydrophobicContact CB-CB 4.15Å; L160-P480 HydrophobicContact CD2-CB 4.45Å; L160-P480 WeakPolarHBondContact O-CB 3.26Å; L160-L483 HydrophobicContact CB-CD2 4.36Å; L160-L483 HydrophobicContact CD1-CD2 3.14Å; L160-L483 HydrophobicContact CG-CD2 4.33Å
161	V	84.1	Confident	85.5	Confident	1 Å²	1	29 Å²	29	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-41.4	173.3	178.6	0	0	0	0	110.2	I157 L163 A164 V165 L550	I157-V161 HydrophobicContact CG2-CG2 4.05Å; I157-V161 WeakPolarHBondContact O-CG2 3.49Å; I157-V161 PolarHBondContact O-N 3.35Å; V161-L163 VanDerWaalsContact C-N 3.34Å; V161-L163 PolarHBondContact O-N 3.41Å; V161-A164 WeakPolarHBondContact O-CB 3.26Å; V161-A164 PolarHBondContact O-N 3.49Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.1Å; V161-L550 HydrophobicContact CB-CD2 3.69Å; V161-L550 HydrophobicContact CG1-CD2 3.48Å; V161-L550 VanDerWaalsContact CG1-CD2 3.48Å; V161-L550 HydrophobicContact CG1-CG 4Å
162	A	90.2	Very high	86.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-37.3	178	0	0	0	0	0	112	Q158 Y159 L160 V165 G166 L550 Q568 L572	Q158-A162 VanDerWaalsContact O-CB 3.23Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.13Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; Y159-A162 PolarHBondContact O-N 3.49Å; L160-A162 VanDerWaalsContact C-N 3.28Å; L160-A162 PolarHBondContact O-N 3.48Å; A162-V165 PolarHBondContact O-N 2.82Å; A162-G166 PolarHBondContact O-N 2.99Å; A162-L550 HydrophobicContact CB-CD1 4.03Å; A162-L550 HydrophobicContact CB-CD2 3.93Å; A162-Q568 HydrophobicContact CB-CB 4.29Å; A162-Q568 WeakPolarHBondContact CB-O 3.37Å; A162-L572 HydrophobicContact CB-CG 4.26Å; A162-L572 WeakPolarHBondContact O-CA 3.22Å; A162-L572 PolarHBondContact O-N 3.36Å
163	L	91.2	Very high	87.6	Confident	16 Å²	16	22.7 Å²	22.7	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-42	172.3	-172.7	134.2	0	0	0	111.1	Y159 L160 V161 G166 T167 P480 G571 T574 I578	Y159-L163 HydrophobicContact CE1-CD1 3.86Å; Y159-L163 VanDerWaalsContact O-CB 3.26Å; Y159-L163 WeakPolarHBondContact O-CB 3.49Å; Y159-L163 PolarHBondContact O-N 3.21Å; Y159-L163 WeakPolarHBondContact OH-CD1 3.46Å; L160-L163 CarbonylContact O-C 3.6Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.15Å; V161-L163 VanDerWaalsContact C-N 3.34Å; V161-L163 PolarHBondContact O-N 3.41Å; L163-G166 PolarHBondContact O-N 3.38Å; L163-T167 HydrophobicContact CD2-CG2 4.18Å; L163-T167 HydrophobicContact CG-CG2 4.43Å; L163-T167 WeakPolarHBondContact O-CG2 3.14Å; L163-T167 PolarHBondContact O-N 3.35Å; L163-T167 PolarHBondContact O-OG1 3.01Å; L163-P480 HydrophobicContact CD2-CB 4.25Å; L163-P480 HydrophobicContact CD2-CG 3.41Å; L163-P480 VanDerWaalsContact CD2-CG 3.41Å; L163-G571 WeakPolarHBondContact CA-O 3.17Å; L163-T574 HydrophobicContact CD1-CG2 3.84Å; L163-I578 HydrophobicContact CD1-CD1 4.27Å
164	A	89.3	Confident	88.3	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.1	-51.1	172.9	0	0	0	0	0	111.5	L160 V161 G166 T167 L168 P480 H481	L160-A164 PolarHBondContact O-N 3.33Å; V161-A164 WeakPolarHBondContact O-CB 3.26Å; V161-A164 PolarHBondContact O-N 3.49Å; A164-G166 VanDerWaalsContact C-N 3.25Å; A164-G166 PolarHBondContact O-N 2.85Å; A164-T167 WeakPolarHBondContact CA-OG1 3.37Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-T167 PolarHBondContact O-OG1 3.45Å; A164-T167 VanDerWaalsContact O-OG1 3.09Å; A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 PolarHBondContact O-N 3.03Å; A164-P480 HydrophobicContact CB-CB 3.66Å; A164-P480 HydrophobicContact CB-CG 4.38Å; A164-H481 HydrophobicContact CB-CB 4.49Å
165	V	91.5	Very high	89	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-42.3	177.9	177.1	0	0	0	0	110.8	V161 A162 T169 A542 M546 L547 L550 L572	V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.1Å; A162-V165 PolarHBondContact O-N 2.82Å; V165-T169 VanDerWaalsContact O-CB 3.24Å; V165-T169 WeakPolarHBondContact O-CB 3.42Å; V165-T169 PolarHBondContact O-N 3.07Å; V165-T169 PolarHBondContact O-OG1 3.46Å; V165-A542 HydrophobicContact CG1-CB 4.47Å; V165-M546 HydrophobicContact CG2-CB 3.52Å; V165-L547 HydrophobicContact CG1-CB 4.37Å; V165-L547 HydrophobicContact CG1-CD1 4.07Å; V165-L547 HydrophobicContact CG2-CB 4.46Å; V165-L550 HydrophobicContact CG2-CD1 4.16Å; V165-L572 HydrophobicContact CB-CD2 3.97Å; V165-L572 HydrophobicContact CG1-CD2 3.69Å
166	G	93	Very high	89.5	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-45.7	179.1	0	0	0	0	0	113.4	A162 L163 A164 G170 V576	A162-G166 PolarHBondContact O-N 2.99Å; L163-G166 PolarHBondContact O-N 3.38Å; A164-G166 VanDerWaalsContact C-N 3.25Å; A164-G166 PolarHBondContact O-N 2.85Å; G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 2.89Å; G166-V576 WeakPolarHBondContact O-CG2 2.9Å; G166-V576 PolarHBondContact O-N 3.15Å
167	T	92.4	Very high	90	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69	-44	177.2	48.2	0	0	0	0	110.9	L163 A164 G170 D171 C476 H477 G575 M579	L163-T167 HydrophobicContact CD2-CG2 4.18Å; L163-T167 HydrophobicContact CG-CG2 4.43Å; L163-T167 WeakPolarHBondContact O-CG2 3.14Å; L163-T167 PolarHBondContact O-N 3.35Å; L163-T167 PolarHBondContact O-OG1 3.01Å; A164-T167 WeakPolarHBondContact CA-OG1 3.37Å; A164-T167 PolarHBondContact O-N 3.39Å; A164-T167 PolarHBondContact O-OG1 3.45Å; A164-T167 VanDerWaalsContact O-OG1 3.09Å; T167-G170 CarbonylContact O-C 3.55Å; T167-G170 PolarHBondContact O-N 3.49Å; T167-D171 WeakPolarHBondContact O-CB 3.2Å; T167-D171 PolarHBondContact O-N 3.37Å; T167-C476 HydrophobicContact CG2-CB 4.23Å; T167-C476 PolarHBondContact OG1-O 3.16Å; T167-H477 VanDerWaalsContact OG1-CA 3.28Å; T167-H477 WeakPolarHBondContact OG1-CA 3.14Å; T167-H477 WeakPolarHBondContact OG1-CB 3.26Å; T167-G575 VanDerWaalsContact CG2-CA 3.41Å; T167-G575 WeakPolarHBondContact CG2-O 3.08Å; T167-M579 HydrophobicContact CG2-CE 4.28Å; T167-M579 HydrophobicContact CG2-CG 4.34Å; T167-M579 WeakPolarHBondContact O-CE 3.43Å; T167-M579 VanDerWaalsContact O-CG 3.28Å; T167-M579 WeakPolarHBondContact O-CG 3.27Å
168	L	92.3	Very high	90.4	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-68.7	-42.2	-176.7	-153	154.4	0	0	0	111.9	A164 G170 A172 H477 F538 I541 A542	A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 PolarHBondContact O-N 3.03Å; L168-G170 VanDerWaalsContact C-N 3.35Å; L168-A172 PolarHBondContact O-N 2.88Å; L168-A172 VanDerWaalsContact O-N 3.16Å; L168-H477 HydrophobicContact CB-CB 3.91Å; L168-H477 HydrophobicContact CD1-CB 4.34Å; L168-H477 HydrophobicContact CG-CB 4.25Å; L168-F538 VanDerWaalsContact CD2-CA 3.42Å; L168-F538 HydrophobicContact CD2-CB 3.52Å; L168-F538 HydrophobicContact CD2-CD1 4.47Å; L168-F538 HydrophobicContact CD2-CG 3.99Å; L168-F538 WeakPolarHBondContact CD2-O 3.18Å; L168-F538 HydrophobicContact CG-CB 4.48Å; L168-I541 HydrophobicContact CD1-CG2 3.98Å; L168-I541 HydrophobicContact CD2-CB 4.21Å; L168-I541 HydrophobicContact CD2-CG2 4.44Å; L168-A542 HydrophobicContact CB-CB 4.19Å; L168-A542 HydrophobicContact CD2-CB 3.71Å
169	T	94	Very high	90.6	Very high	35 Å²	35	20.9 Å²	20.9	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-40	170.6	-52.7	0	0	0	0	111.3	V165 A172 M173 A542	V165-T169 VanDerWaalsContact O-CB 3.24Å; V165-T169 WeakPolarHBondContact O-CB 3.42Å; V165-T169 PolarHBondContact O-N 3.07Å; V165-T169 PolarHBondContact O-OG1 3.46Å; T169-A172 PolarHBondContact O-N 3.06Å; T169-M173 HydrophobicContact CG2-CG 4.27Å; T169-M173 WeakPolarHBondContact O-CB 3.27Å; T169-M173 WeakPolarHBondContact O-CG 3.27Å; T169-M173 PolarHBondContact O-N 3.23Å; T169-A542 VanDerWaalsContact OG1-CB 3.26Å; T169-A542 WeakPolarHBondContact OG1-CB 3.36Å
170	G	93.3	Very high	90.6	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-44.3	177.7	0	0	0	0	0	112.5	G166 T167 L168 M173 L174	G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 2.89Å; T167-G170 CarbonylContact O-C 3.55Å; T167-G170 PolarHBondContact O-N 3.49Å; L168-G170 VanDerWaalsContact C-N 3.35Å; G170-M173 PolarHBondContact O-N 3.01Å; G170-L174 WeakPolarHBondContact O-CA 3.43Å; G170-L174 WeakPolarHBondContact O-CB 3.29Å; G170-L174 PolarHBondContact O-N 3.07Å
171	D	92.6	Very high	90.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-62.7	-48.3	177.4	-168.3	11	0	0	0	110.5	T167 M173 H175 L176 H477 F538 M579	T167-D171 WeakPolarHBondContact O-CB 3.2Å; T167-D171 PolarHBondContact O-N 3.37Å; D171-M173 PolarHBondContact O-N 3.1Å; D171-H175 CarbonylContact O-C 3.55Å; D171-H175 WeakPolarHBondContact O-CB 3.27Å; D171-H175 PolarHBondContact O-N 3.2Å; D171-H175 VanDerWaalsContact O-N 3.14Å; D171-H175 WeakPolarHBondContact OD1-CB 3.12Å; D171-H175 IonicContact OD1-CE1 3.44Å; D171-H175 IonicContact OD1-CG 3.36Å; D171-H175 IonicContact OD1-ND1 2.93Å; D171-H175 PolarHBondContact OD1-ND1 3.31Å; D171-L176 PolarHBondContact O-N 3.36Å; D171-H477 IonicContact OD2-CE1 3.73Å; D171-H477 PolarHBondContact OD2-CE1 3.33Å; D171-H477 VanDerWaalsContact OD2-CE1 3.23Å; D171-H477 IonicContact OD2-ND1 3.23Å; D171-F538 HydrophobicContact CB-CD2 4.41Å; D171-F538 WeakPolarHBondContact OD2-CE2 3.42Å; D171-M579 HydrophobicContact CB-CE 3.8Å; D171-M579 HydrophobicContact CB-SD 4.12Å
172	A	93.6	Very high	90.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-58.1	-46.6	177.2	0	0	0	0	0	113	L168 T169 L177 A535 F538 I539	L168-A172 PolarHBondContact O-N 2.88Å; L168-A172 VanDerWaalsContact O-N 3.16Å; T169-A172 PolarHBondContact O-N 3.06Å; A172-L177 WeakPolarHBondContact O-CB 3.44Å; A172-L177 PolarHBondContact O-N 2.84Å; A172-A535 HydrophobicContact CB-CB 4.38Å; A172-A535 WeakPolarHBondContact CB-O 3.46Å; A172-F538 HydrophobicContact CB-CB 3.77Å; A172-I539 HydrophobicContact CB-CG1 3.75Å
173	M	93.9	Very high	89.3	Confident	77 Å²	77	22.7 Å²	22.7	38%	0.379	13%	0.132	S	C	.	.	I	π-helix	trans	-91.3	-32.3	-170.3	-66	-73.2	83.3	0	0	115.1	T169 G170 D171 L177 P178 I539	T169-M173 HydrophobicContact CG2-CG 4.27Å; T169-M173 WeakPolarHBondContact O-CB 3.27Å; T169-M173 WeakPolarHBondContact O-CG 3.27Å; T169-M173 PolarHBondContact O-N 3.23Å; G170-M173 PolarHBondContact O-N 3.01Å; D171-M173 PolarHBondContact O-N 3.1Å; M173-L177 HydrophobicContact CE-CB 4.11Å; M173-L177 HydrophobicContact CE-CD2 3.47Å; M173-L177 VanDerWaalsContact CE-CD2 3.47Å; M173-L177 HydrophobicContact CE-CG 4.36Å; M173-P178 VanDerWaalsContact O-CD 3.23Å; M173-P178 WeakPolarHBondContact O-CD 3.49Å; M173-P178 VanDerWaalsContact O-CG 3.3Å; M173-P178 WeakPolarHBondContact O-CG 3.34Å; M173-I539 HydrophobicContact CE-CD1 3.23Å; M173-I539 HydrophobicContact CE-CG1 3.93Å; M173-I539 HydrophobicContact SD-CD1 4.16Å
174	L	91.3	Very high	87.5	Confident	65 Å²	65	23.1 Å²	23.1	34%	0.34	14%	0.14	S	C	.	.	I	π-helix	trans	-104.7	-20.3	-173.6	-56	178.2	0	0	0	113	G170 V576 L580 A583	G170-L174 WeakPolarHBondContact O-CA 3.43Å; G170-L174 WeakPolarHBondContact O-CB 3.29Å; G170-L174 PolarHBondContact O-N 3.07Å; L174-V576 HydrophobicContact CD1-CG1 4.36Å; L174-L580 HydrophobicContact CD1-CB 4.02Å; L174-L580 HydrophobicContact CD1-CD1 4.18Å; L174-A583 HydrophobicContact CB-CB 4.31Å; L174-A583 WeakPolarHBondContact O-CB 3.4Å
175	H	88.4	Confident	85.7	Confident	3 Å²	3	28.7 Å²	28.7	1%	0.014	17%	0.167	C	C	.	.	I	π-helix	trans	-117.2	-63.3	-175.6	176.9	-116.7	0	0	0	111.6	D171 H179 E586	D171-H175 CarbonylContact O-C 3.55Å; D171-H175 WeakPolarHBondContact O-CB 3.27Å; D171-H175 PolarHBondContact O-N 3.2Å; D171-H175 VanDerWaalsContact O-N 3.14Å; D171-H175 WeakPolarHBondContact OD1-CB 3.12Å; D171-H175 IonicContact OD1-CE1 3.44Å; D171-H175 IonicContact OD1-CG 3.36Å; D171-H175 IonicContact OD1-ND1 2.93Å; D171-H175 PolarHBondContact OD1-ND1 3.31Å; H175-H179 VanDerWaalsContact O-CB 3.31Å; H175-H179 WeakPolarHBondContact O-CB 3.23Å; H175-H179 PolarHBondContact O-N 3.34Å; H175-H179 VanDerWaalsContact O-N 3.14Å; H175-H179 PolarHBondContact O-ND1 3.25Å; H175-E586 IonicContact CD2-OE2 3.57Å; H175-E586 PolarHBondContact CD2-OE2 3.06Å; H175-E586 IonicContact NE2-OE2 3.28Å
176	L	91.6	Very high	83.5	Confident	2 Å²	2	32 Å²	32	1%	0.01	20%	0.2	C	C	.	.	I	π-helix	trans	-70	-50.4	-175.8	-67.1	179.9	0	0	0	114.1	D171 H179 A180 F531 T534 A535 F538	D171-L176 PolarHBondContact O-N 3.36Å; L176-H179 PolarHBondContact O-N 2.98Å; L176-A180 WeakPolarHBondContact O-CB 3.3Å; L176-A180 PolarHBondContact O-N 2.95Å; L176-F531 HydrophobicContact CD2-CB 4.37Å; L176-F531 HydrophobicContact CD2-CD1 3.95Å; L176-F531 HydrophobicContact CD2-CG 4.25Å; L176-T534 HydrophobicContact CD1-CG2 3.7Å; L176-A535 HydrophobicContact CB-CB 3.89Å; L176-F538 HydrophobicContact CD1-CD2 3.58Å; L176-F538 HydrophobicContact CD1-CE2 3.54Å; L176-F538 HydrophobicContact CD1-CG 4.49Å; L176-F538 HydrophobicContact CD1-CZ 4.44Å
177	L	91.2	Very high	81.1	Confident	36 Å²	36	39.8 Å²	39.8	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-43.5	-177.6	-172	72	0	0	0	112.1	A172 M173 H179 A180 I181 A212 A535	A172-L177 WeakPolarHBondContact O-CB 3.44Å; A172-L177 PolarHBondContact O-N 2.84Å; M173-L177 HydrophobicContact CE-CB 4.11Å; M173-L177 HydrophobicContact CE-CD2 3.47Å; M173-L177 VanDerWaalsContact CE-CD2 3.47Å; M173-L177 HydrophobicContact CE-CG 4.36Å; L177-H179 PolarHBondContact O-N 3.44Å; L177-A180 WeakPolarHBondContact O-CB 3.23Å; L177-A180 PolarHBondContact O-N 3.25Å; L177-I181 HydrophobicContact CD1-CD1 4.35Å; L177-I181 HydrophobicContact CD2-CD1 4.46Å; L177-I181 HydrophobicContact CG-CD1 3.96Å; L177-I181 WeakPolarHBondContact O-CG1 3.45Å; L177-I181 PolarHBondContact O-N 2.93Å; L177-A212 HydrophobicContact CD1-CB 4.2Å; L177-A535 HydrophobicContact CB-CB 4.14Å; L177-A535 HydrophobicContact CD1-CB 4.48Å
178	P	88.4	Confident	78.5	Confident	54 Å²	54	45.5 Å²	45.5	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-42.6	172.5	-27.2	39.1	0	0	0	112.6	M173 A180 I181 S182	M173-P178 VanDerWaalsContact O-CD 3.23Å; M173-P178 WeakPolarHBondContact O-CD 3.49Å; M173-P178 VanDerWaalsContact O-CG 3.3Å; M173-P178 WeakPolarHBondContact O-CG 3.34Å; P178-A180 VanDerWaalsContact C-N 3.34Å; P178-A180 PolarHBondContact O-N 2.92Å; P178-I181 PolarHBondContact O-N 2.78Å; P178-S182 VanDerWaalsContact O-CB 3.29Å; P178-S182 WeakPolarHBondContact O-CB 3.18Å; P178-S182 PolarHBondContact O-N 3.18Å; P178-S182 PolarHBondContact O-OG 3.3Å
179	H	85.5	Confident	75.8	Confident	38 Å²	38	56 Å²	56	18%	0.176	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-42.7	174.2	-91.3	77.1	0	0	0	112.6	H175 L176 L177 I181 G183 Y528 F531 E586 R590	H175-H179 VanDerWaalsContact O-CB 3.31Å; H175-H179 WeakPolarHBondContact O-CB 3.23Å; H175-H179 PolarHBondContact O-N 3.34Å; H175-H179 VanDerWaalsContact O-N 3.14Å; H175-H179 PolarHBondContact O-ND1 3.25Å; L176-H179 PolarHBondContact O-N 2.98Å; L177-H179 PolarHBondContact O-N 3.44Å; H179-I181 VanDerWaalsContact C-N 3.35Å; H179-I181 PolarHBondContact O-N 3.07Å; H179-G183 PolarHBondContact O-N 2.9Å; H179-G183 VanDerWaalsContact O-N 3.12Å; H179-Y528 VanDerWaalsContact O-CD1 3.29Å; H179-Y528 WeakPolarHBondContact O-CD1 3.45Å; H179-F531 HydrophobicContact CB-CD2 4.09Å; H179-E586 IonicContact CE1-OE1 3.48Å; H179-E586 IonicContact CE1-OE2 3.3Å; H179-E586 PolarHBondContact CE1-OE2 3.4Å; H179-E586 IonicContact ND1-OE2 2.66Å; H179-E586 IonicContact NE2-OE1 3.59Å; H179-E586 PolarHBondContact NE2-OE1 3.36Å; H179-E586 IonicContact NE2-OE2 3.11Å; H179-R590 PolarHBondContact NE2-NH2 3.3Å
180	A	88.7	Confident	73.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-51.1	174.7	0	0	0	0	0	109.5	L176 L177 P178 K208 Y528 F531 A532	L176-A180 WeakPolarHBondContact O-CB 3.3Å; L176-A180 PolarHBondContact O-N 2.95Å; L177-A180 WeakPolarHBondContact O-CB 3.23Å; L177-A180 PolarHBondContact O-N 3.25Å; P178-A180 VanDerWaalsContact C-N 3.34Å; P178-A180 PolarHBondContact O-N 2.92Å; A180-K208 WeakPolarHBondContact O-CD 3.45Å; A180-K208 VanDerWaalsContact O-CE 3.23Å; A180-K208 WeakPolarHBondContact O-CE 3.43Å; A180-K208 PolarHBondContact O-NZ 2.84Å; A180-Y528 WeakPolarHBondContact CB-O 3.39Å; A180-F531 HydrophobicContact CB-CB 4.1Å; A180-A532 HydrophobicContact CB-CB 3.96Å
181	I	87.7	Confident	70.7	Confident	62 Å²	62	59.3 Å²	59.3	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-69.5	-47.5	-175.6	-64.7	167	0	0	0	112.1	L177 P178 H179 G183 A205	L177-I181 HydrophobicContact CD1-CD1 4.35Å; L177-I181 HydrophobicContact CD2-CD1 4.46Å; L177-I181 HydrophobicContact CG-CD1 3.96Å; L177-I181 WeakPolarHBondContact O-CG1 3.45Å; L177-I181 PolarHBondContact O-N 2.93Å; P178-I181 PolarHBondContact O-N 2.78Å; H179-I181 VanDerWaalsContact C-N 3.35Å; H179-I181 PolarHBondContact O-N 3.07Å; I181-G183 PolarHBondContact O-N 3.28Å; I181-A205 HydrophobicContact CG2-CB 3.83Å
182	S	79.6	Confident	68	Low	57 Å²	57	68 Å²	68	40%	0.399	39%	0.39	S	S	.	.	H	α-helix	trans	-69.5	-31.7	-174.2	68.9	0	0	0	0	113.2	P178 G184 Q185	P178-S182 VanDerWaalsContact O-CB 3.29Å; P178-S182 WeakPolarHBondContact O-CB 3.18Å; P178-S182 PolarHBondContact O-N 3.18Å; P178-S182 PolarHBondContact O-OG 3.3Å; S182-G184 PolarHBondContact O-N 3.12Å; S182-Q185 WeakPolarHBondContact O-CB 3.49Å; S182-Q185 PolarHBondContact O-N 3.47Å
183	G	65.2	Low	65.7	Low	22 Å²	22	71.1 Å²	71.1	23%	0.227	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.9	180	0	0	0	0	0	116.1	H179 I181 Y528	H179-G183 PolarHBondContact O-N 2.9Å; H179-G183 VanDerWaalsContact O-N 3.12Å; I181-G183 PolarHBondContact O-N 3.28Å; G183-Y528 VanDerWaalsContact CA-CE1 3.4Å; G183-Y528 WeakPolarHBondContact O-CE2 3.48Å
184	G	54.2	Low	63.8	Low	26 Å²	26	73.3 Å²	73.3	27%	0.268	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.9	169.8	0	0	0	0	0	114.6	S182 G186	S182-G184 PolarHBondContact O-N 3.12Å; G184-G186 PolarHBondContact O-N 3.18Å
185	Q	52	Low	62	Low	117 Å²	117	75.1 Å²	75.1	55%	0.547	44%	0.439	S	S	.	.			trans	-91	74.9	-177.9	-62.2	-178.6	4.1	0	0	109.8	S182 H187	S182-Q185 WeakPolarHBondContact O-CB 3.49Å; S182-Q185 PolarHBondContact O-N 3.47Å; Q185-H187 PolarHBondContact O-N 3.48Å
186	G	45.2	Very low	60.3	Low	71 Å²	71	77.1 Å²	77.1	73%	0.732	45%	0.454	S	S	*	.			trans	-58.5	111.7	165.3	0	0	0	0	0	109.4	G184 D188	G184-G186 PolarHBondContact O-N 3.18Å; G186-D188 VanDerWaalsContact C-N 3.31Å; G186-D188 PolarHBondContact O-N 2.95Å
187	H	41.5	Very low	58.5	Low	164 Å²	164	82.5 Å²	82.5	76%	0.759	48%	0.477	S	S	*	.			trans	-63.8	88.7	170.7	-98.2	-91.6	0	0	0	109.6	Q185	Q185-H187 PolarHBondContact O-N 3.48Å
188	D	38.5	Very low	57	Low	120 Å²	120	86.4 Å²	86.4	64%	0.642	49%	0.494	S	S	*	.			trans	-100.4	107.8	168.6	-132.1	-0.5	0	0	0	109	G186 G190	G186-D188 VanDerWaalsContact C-N 3.31Å; G186-D188 PolarHBondContact O-N 2.95Å; D188-G190 PolarHBondContact O-N 3.11Å
189	Y	36.3	Very low	55.7	Low	223 Å²	223	88.3 Å²	88.3	88%	0.875	50%	0.498	S	S	*	.			trans	-67.6	92	174.7	-84.3	-94.7	0	0	0	109.4
190	G	39.7	Very low	54.9	Low	52 Å²	52	90 Å²	90	54%	0.536	51%	0.508	S	S	.	.			trans	-174.8	109.6	175.9	0	0	0	0	0	115.1	D188	D188-G190 PolarHBondContact O-N 3.11Å
191	G	38.8	Very low	54.1	Low	56 Å²	56	92.1 Å²	92.1	58%	0.577	52%	0.523	S	S	*	.			trans	19	114.2	156	0	0	0	0	0	121.6	Q35	Q35-G191 PolarHBondContact NE2-O 2.93Å
192	E	36.2	Very low	53.6	Low	184 Å²	184	95 Å²	95	86%	0.86	54%	0.536	S	S	*	.				56.4	64.7	129.3	-146.7	174	-172.5	0	0	118.8
193	V	45.2	Very low	53.7	Low	64 Å²	64	99.1 Å²	99.1	39%	0.388	54%	0.542	S	S	.	.			trans	-145.1	88.5	147.4	-174.9	0	0	0	0	108.5	Q35 S196	Q35-V193 VanDerWaalsContact NE2-CG2 3.34Å; V193-S196 WeakPolarHBondContact CG1-OG 3.2Å
194	I	54	Low	54.4	Low	123 Å²	123	100 Å²	100	63%	0.631	54%	0.541	S	S	*	.	H	α-helix	trans	-77.3	-37.5	-172.2	-66.4	169	0	0	0	111.7	S196	I194-S196 PolarHBondContact O-N 2.89Å
195	S	54.6	Low	56	Low	104 Å²	104	100 Å²	100	73%	0.727	54%	0.539	S	S	*	.	H	α-helix	trans	-76.8	-20.1	-164.6	-162.6	0	0	0	0	116.4
196	S	53.1	Low	57.7	Low	45 Å²	45	100 Å²	100	32%	0.315	54%	0.542	S	S	.	.	H	α-helix	trans	-108	-15.7	-177.2	58.1	0	0	0	0	114.3	V193 I194	V193-S196 WeakPolarHBondContact CG1-OG 3.2Å; I194-S196 PolarHBondContact O-N 2.89Å
197	K	53.8	Low	59.7	Low	115 Å²	115	99.6 Å²	99.6	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-79.1	-36.4	173.2	-76.2	-175.2	175.3	-179.5	0	111.5	S201	K197-S201 WeakPolarHBondContact O-CB 3.29Å; K197-S201 PolarHBondContact O-N 3.16Å; K197-S201 VanDerWaalsContact O-N 3.07Å
198	E	59.8	Low	62	Low	118 Å²	118	92.1 Å²	92.1	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-62.9	-49.1	176.5	-75.5	179.1	169	0	0	111.6	N200 S201 E202	E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 2.8Å; E198-S201 PolarHBondContact O-N 3.05Å; E198-S201 VanDerWaalsContact O-N 3.1Å; E198-E202 WeakPolarHBondContact O-CG 3.31Å; E198-E202 PolarHBondContact O-N 3.28Å
199	E	59.9	Low	64.5	Low	94 Å²	94	87.6 Å²	87.6	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-39.5	-178	-162.8	-170.6	161.2	0	0	112.5	R203	E199-R203 WeakPolarHBondContact O-CB 3.43Å; E199-R203 WeakPolarHBondContact O-CD 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.47Å; E199-R203 PolarHBondContact O-N 2.84Å; E199-R203 IonicContact OE1-CZ 3.01Å; E199-R203 VanDerWaalsContact OE1-CZ 3.3Å; E199-R203 IonicContact OE1-NE 3.53Å; E199-R203 PolarHBondContact OE1-NE 3.21Å; E199-R203 VanDerWaalsContact OE1-NE 3.11Å; E199-R203 IonicContact OE1-NH2 2.7Å; E199-R203 PolarHBondContact OE1-NH2 2.72Å
200	N	68.6	Low	67.2	Low	72 Å²	72	81.8 Å²	81.8	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-71.4	-36.4	176.8	-83.1	0.3	0	0	0	112.5	E198 R203 I204	E198-N200 VanDerWaalsContact C-N 3.31Å; E198-N200 PolarHBondContact O-N 2.8Å; N200-R203 PolarHBondContact O-N 2.76Å; N200-I204 WeakPolarHBondContact O-CD1 3.41Å; N200-I204 VanDerWaalsContact O-CG1 3.25Å; N200-I204 WeakPolarHBondContact O-CG1 3.43Å; N200-I204 PolarHBondContact O-N 2.95Å
201	S	71.7	Confident	69.7	Low	45 Å²	45	80.3 Å²	80.3	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-43.6	177.1	-170	0	0	0	0	111.4	K197 E198 I204 A205	K197-S201 WeakPolarHBondContact O-CB 3.29Å; K197-S201 PolarHBondContact O-N 3.16Å; K197-S201 VanDerWaalsContact O-N 3.07Å; E198-S201 PolarHBondContact O-N 3.05Å; E198-S201 VanDerWaalsContact O-N 3.1Å; S201-I204 PolarHBondContact O-N 3.2Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 2.86Å
202	E	78.8	Confident	72.2	Confident	124 Å²	124	78.1 Å²	78.1	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-46.4	174.4	-70.7	-177.4	177.3	0	0	111.5	E198 I204 A205 I206	E198-E202 WeakPolarHBondContact O-CG 3.31Å; E198-E202 PolarHBondContact O-N 3.28Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.46Å; E202-A205 PolarHBondContact O-N 3.42Å; E202-I206 WeakPolarHBondContact O-CD1 3.33Å; E202-I206 VanDerWaalsContact O-CG1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 3.05Å
203	R	80.8	Confident	75	Confident	143 Å²	143	74.8 Å²	74.8	54%	0.54	40%	0.397	S	S	.	.	H	α-helix	trans	-57.9	-43.5	176.1	-74.4	167.9	-178.6	-93.4	3.2	111.9	E199 N200 I206 M207	E199-R203 WeakPolarHBondContact O-CB 3.43Å; E199-R203 WeakPolarHBondContact O-CD 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.47Å; E199-R203 PolarHBondContact O-N 2.84Å; E199-R203 IonicContact OE1-CZ 3.01Å; E199-R203 VanDerWaalsContact OE1-CZ 3.3Å; E199-R203 IonicContact OE1-NE 3.53Å; E199-R203 PolarHBondContact OE1-NE 3.21Å; E199-R203 VanDerWaalsContact OE1-NE 3.11Å; E199-R203 IonicContact OE1-NH2 2.7Å; E199-R203 PolarHBondContact OE1-NH2 2.72Å; N200-R203 PolarHBondContact O-N 2.76Å; R203-I206 PolarHBondContact O-N 3.35Å; R203-M207 VanDerWaalsContact O-CG 3.27Å; R203-M207 WeakPolarHBondContact O-CG 3.43Å; R203-M207 PolarHBondContact O-N 3.37Å
204	I	80.7	Confident	77.2	Confident	40 Å²	40	73.5 Å²	73.5	21%	0.205	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.4	-68.5	164.4	0	0	0	110.8	N200 S201 E202 I206 M207 K208	N200-I204 WeakPolarHBondContact O-CD1 3.41Å; N200-I204 VanDerWaalsContact O-CG1 3.25Å; N200-I204 WeakPolarHBondContact O-CG1 3.43Å; N200-I204 PolarHBondContact O-N 2.95Å; S201-I204 PolarHBondContact O-N 3.2Å; E202-I204 VanDerWaalsContact C-N 3.33Å; E202-I204 PolarHBondContact O-N 3.46Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.29Å; I204-M207 PolarHBondContact O-N 3.1Å; I204-K208 HydrophobicContact CG2-CD 4.17Å; I204-K208 HydrophobicContact CG2-CG 4.46Å; I204-K208 WeakPolarHBondContact O-CG 3.39Å; I204-K208 PolarHBondContact O-N 3.11Å
205	A	85.9	Confident	79	Confident	27 Å²	27	67.7 Å²	67.7	22%	0.223	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.7	0	0	0	0	0	111.6	I181 S201 E202 M207 K208 G209	I181-A205 HydrophobicContact CG2-CB 3.83Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 2.86Å; E202-A205 PolarHBondContact O-N 3.42Å; A205-M207 PolarHBondContact O-N 3.38Å; A205-K208 PolarHBondContact O-N 2.93Å; A205-G209 PolarHBondContact O-N 3.4Å
206	I	89.2	Confident	80.9	Confident	116 Å²	116	64.7 Å²	64.7	60%	0.595	34%	0.344	S	S	*	.	H	α-helix	trans	-60.6	-44.5	174.9	-67.7	163.3	0	0	0	110.7	E202 R203 I204 K208 G209 L210	E202-I206 WeakPolarHBondContact O-CD1 3.33Å; E202-I206 VanDerWaalsContact O-CG1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 3.05Å; R203-I206 PolarHBondContact O-N 3.35Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.29Å; I206-K208 PolarHBondContact O-N 2.92Å; I206-G209 PolarHBondContact O-N 3.06Å; I206-L210 PolarHBondContact O-N 3.04Å
207	M	87.5	Confident	82.7	Confident	62 Å²	62	69.3 Å²	69.3	31%	0.305	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-38.4	178.4	-69.5	-61.1	-68.9	0	0	112.3	F16 R203 I204 A205 L210 V211 W529	F16-M207 HydrophobicContact CE1-CE 3.62Å; F16-M207 HydrophobicContact CZ-CE 3.5Å; R203-M207 VanDerWaalsContact O-CG 3.27Å; R203-M207 WeakPolarHBondContact O-CG 3.43Å; R203-M207 PolarHBondContact O-N 3.37Å; I204-M207 PolarHBondContact O-N 3.1Å; A205-M207 PolarHBondContact O-N 3.38Å; M207-L210 HydrophobicContact CE-CD2 4.46Å; M207-L210 WeakPolarHBondContact O-CB 3.3Å; M207-L210 PolarHBondContact O-N 3.46Å; M207-L210 HydrophobicContact SD-CD2 4.3Å; M207-V211 WeakPolarHBondContact O-CG2 3.42Å; M207-V211 PolarHBondContact O-N 2.97Å; M207-W529 HydrophobicContact CB-CH2 3.82Å; M207-W529 HydrophobicContact CB-CZ3 4.2Å
208	K	88.7	Confident	84.4	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-40.1	173.5	-69.6	-179.4	178.5	174.6	0	111.4	A180 I204 A205 I206 L210 V211 A212 W529 A532	A180-K208 WeakPolarHBondContact O-CD 3.45Å; A180-K208 VanDerWaalsContact O-CE 3.23Å; A180-K208 WeakPolarHBondContact O-CE 3.43Å; A180-K208 PolarHBondContact O-NZ 2.84Å; I204-K208 HydrophobicContact CG2-CD 4.17Å; I204-K208 HydrophobicContact CG2-CG 4.46Å; I204-K208 WeakPolarHBondContact O-CG 3.39Å; I204-K208 PolarHBondContact O-N 3.11Å; A205-K208 PolarHBondContact O-N 2.93Å; I206-K208 PolarHBondContact O-N 2.92Å; K208-L210 PolarHBondContact O-N 3.47Å; K208-V211 PolarHBondContact O-N 2.91Å; K208-A212 PolarHBondContact O-N 2.93Å; K208-W529 HydrophobicContact CG-CE3 4.18Å; K208-W529 HydrophobicContact CG-CH2 4.32Å; K208-W529 HydrophobicContact CG-CZ3 4.03Å; K208-A532 HydrophobicContact CB-CB 4.31Å; K208-A532 WeakPolarHBondContact O-CB 3.39Å
209	G	90.7	Very high	85.8	Confident	26 Å²	26	61.8 Å²	61.8	27%	0.268	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-40.7	171.1	0	0	0	0	0	113.2	A205 I206 V211 A212 L213	A205-G209 PolarHBondContact O-N 3.4Å; I206-G209 PolarHBondContact O-N 3.06Å; G209-V211 VanDerWaalsContact C-N 3.31Å; G209-V211 PolarHBondContact O-N 3.38Å; G209-A212 WeakPolarHBondContact O-CB 3.4Å; G209-A212 PolarHBondContact O-N 3.43Å; G209-L213 PolarHBondContact O-N 2.51Å
210	L	92.7	Very high	87.2	Confident	100 Å²	100	61.3 Å²	61.3	52%	0.524	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-38.8	173.9	-179.9	65.1	0	0	0	111.7	I206 M207 K208 L213 G214	I206-L210 PolarHBondContact O-N 3.04Å; M207-L210 HydrophobicContact CE-CD2 4.46Å; M207-L210 WeakPolarHBondContact O-CB 3.3Å; M207-L210 PolarHBondContact O-N 3.46Å; M207-L210 HydrophobicContact SD-CD2 4.3Å; K208-L210 PolarHBondContact O-N 3.47Å; L210-L213 PolarHBondContact O-N 2.8Å; L210-G214 PolarHBondContact O-N 3.25Å
211	V	92.1	Very high	88.2	Confident	22 Å²	22	61.2 Å²	61.2	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-37.4	175.6	166.9	0	0	0	0	111.7	M207 K208 G209 G214 G215 W529 A532 I533	M207-V211 WeakPolarHBondContact O-CG2 3.42Å; M207-V211 PolarHBondContact O-N 2.97Å; K208-V211 PolarHBondContact O-N 2.91Å; G209-V211 VanDerWaalsContact C-N 3.31Å; G209-V211 PolarHBondContact O-N 3.38Å; V211-G214 CarbonylContact O-C 3.56Å; V211-G214 WeakPolarHBondContact O-CA 3.43Å; V211-G214 PolarHBondContact O-N 3.22Å; V211-G214 VanDerWaalsContact O-N 3.11Å; V211-G215 PolarHBondContact O-N 3.2Å; V211-W529 HydrophobicContact CB-CE3 4.07Å; V211-W529 HydrophobicContact CB-CZ3 4.2Å; V211-W529 HydrophobicContact CG1-CE3 4.19Å; V211-W529 HydrophobicContact CG2-CE3 3.64Å; V211-W529 HydrophobicContact CG2-CZ3 3.51Å; V211-A532 HydrophobicContact CB-CB 4.37Å; V211-A532 HydrophobicContact CG1-CB 4Å; V211-I533 HydrophobicContact CG1-CB 4.4Å; V211-I533 HydrophobicContact CG1-CD1 3.9Å; V211-I533 HydrophobicContact CG1-CG1 3.17Å
212	A	93.1	Very high	88.9	Confident	10 Å²	10	59.1 Å²	59.1	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-44.6	170.5	0	0	0	0	0	112	L177 K208 G209 G214 G215 V216 A532 G536	L177-A212 HydrophobicContact CD1-CB 4.2Å; K208-A212 PolarHBondContact O-N 2.93Å; G209-A212 WeakPolarHBondContact O-CB 3.4Å; G209-A212 PolarHBondContact O-N 3.43Å; A212-G214 PolarHBondContact O-N 2.88Å; A212-G215 WeakPolarHBondContact O-CA 3.46Å; A212-G215 PolarHBondContact O-N 3.26Å; A212-V216 PolarHBondContact O-N 3.2Å; A212-V216 VanDerWaalsContact O-N 3.07Å; A212-A532 WeakPolarHBondContact CA-O 3.13Å; A212-A532 WeakPolarHBondContact CB-O 3.45Å; A212-G536 WeakPolarHBondContact O-CA 3.33Å
213	L	94	Very high	89	Confident	114 Å²	114	54.7 Å²	54.7	60%	0.597	28%	0.281	S	S	*	.	H	α-helix	trans	-61	-35.1	171.4	-70.6	174.2	0	0	0	112.3	G209 L210 G215 V216 Y217	G209-L213 PolarHBondContact O-N 2.51Å; L210-L213 PolarHBondContact O-N 2.8Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-V216 PolarHBondContact O-N 3.39Å; L213-Y217 WeakPolarHBondContact O-CB 3.28Å; L213-Y217 PolarHBondContact O-N 2.85Å
214	G	92.3	Very high	89.3	Confident	36 Å²	36	51.1 Å²	51.1	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-40.3	171.2	0	0	0	0	0	112.6	L210 V211 A212 Y217 F218	L210-G214 PolarHBondContact O-N 3.25Å; V211-G214 CarbonylContact O-C 3.56Å; V211-G214 WeakPolarHBondContact O-CA 3.43Å; V211-G214 PolarHBondContact O-N 3.22Å; V211-G214 VanDerWaalsContact O-N 3.11Å; A212-G214 PolarHBondContact O-N 2.88Å; G214-Y217 PolarHBondContact O-N 3.3Å; G214-F218 VanDerWaalsContact O-CB 3.28Å; G214-F218 WeakPolarHBondContact O-CB 3.26Å; G214-F218 PolarHBondContact O-N 2.97Å
215	G	91.6	Very high	89.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-47.7	172.6	0	0	0	0	0	112.7	V211 A212 L213 Y217 F218 F219	V211-G215 PolarHBondContact O-N 3.2Å; A212-G215 WeakPolarHBondContact O-CA 3.46Å; A212-G215 PolarHBondContact O-N 3.26Å; L213-G215 VanDerWaalsContact C-N 3.32Å; G215-Y217 PolarHBondContact O-N 3.11Å; G215-F218 PolarHBondContact O-N 3.28Å; G215-F219 PolarHBondContact O-N 3.39Å
216	V	93	Very high	89.4	Confident	41 Å²	41	51.5 Å²	51.5	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-56.3	-49.9	174.3	178.4	0	0	0	0	110.7	A212 L213 F218 F219 F220 G536 Y540	A212-V216 PolarHBondContact O-N 3.2Å; A212-V216 VanDerWaalsContact O-N 3.07Å; L213-V216 PolarHBondContact O-N 3.39Å; V216-F218 PolarHBondContact O-N 3.32Å; V216-F219 PolarHBondContact O-N 3.03Å; V216-F220 WeakPolarHBondContact O-CB 2.95Å; V216-F220 PolarHBondContact O-N 2.88Å; V216-G536 WeakPolarHBondContact CG2-O 3.48Å; V216-Y540 HydrophobicContact CG1-CD2 3.87Å
217	Y	92.5	Very high	89	Confident	143 Å²	143	46.9 Å²	46.9	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-65.1	-38.4	-179.8	179.6	-100.8	0	0	0	112.5	L213 G214 G215 F220 M221	L213-Y217 WeakPolarHBondContact O-CB 3.28Å; L213-Y217 PolarHBondContact O-N 2.85Å; G214-Y217 PolarHBondContact O-N 3.3Å; G215-Y217 PolarHBondContact O-N 3.11Å; Y217-F220 PolarHBondContact O-N 3.45Å; Y217-M221 HydrophobicContact CE1-CE 4.25Å; Y217-M221 HydrophobicContact CE2-CE 4.29Å; Y217-M221 WeakPolarHBondContact O-CB 3.49Å; Y217-M221 PolarHBondContact O-N 3.19Å; Y217-M221 WeakPolarHBondContact OH-CE 3Å
218	F	89.9	Confident	88.8	Confident	64 Å²	64	49.3 Å²	49.3	28%	0.281	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-47	175.9	170.1	-97.3	0	0	0	111.1	I2 I9 G214 G215 V216 M221 A222	I2-F218 HydrophobicContact CG2-CZ 4.38Å; I9-F218 HydrophobicContact CD1-CD2 3.79Å; I9-F218 HydrophobicContact CD1-CE2 3.69Å; G214-F218 VanDerWaalsContact O-CB 3.28Å; G214-F218 WeakPolarHBondContact O-CB 3.26Å; G214-F218 PolarHBondContact O-N 2.97Å; G215-F218 PolarHBondContact O-N 3.28Å; V216-F218 PolarHBondContact O-N 3.32Å; F218-M221 PolarHBondContact O-N 3.24Å; F218-A222 WeakPolarHBondContact O-CB 3.37Å; F218-A222 PolarHBondContact O-N 3.47Å
219	F	88.1	Confident	88.4	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.048	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-40.6	179.3	-120.8	-102.2	0	0	0	112.3	G215 V216 M221 A222 E223 L447 T451 T537 Y540 I541	G215-F219 PolarHBondContact O-N 3.39Å; V216-F219 PolarHBondContact O-N 3.03Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 2.81Å; F219-A222 PolarHBondContact O-N 3.26Å; F219-E223 WeakPolarHBondContact O-CB 3.47Å; F219-E223 PolarHBondContact O-N 3.21Å; F219-L447 HydrophobicContact CE1-CB 4.17Å; F219-L447 HydrophobicContact CE2-CB 4.06Å; F219-L447 HydrophobicContact CZ-CB 3.49Å; F219-L447 VanDerWaalsContact CZ-CB 3.49Å; F219-T451 HydrophobicContact CE2-CG2 4.1Å; F219-T537 HydrophobicContact CD2-CG2 3.45Å; F219-T537 VanDerWaalsContact CD2-CG2 3.45Å; F219-T537 HydrophobicContact CE2-CG2 3.89Å; F219-T537 HydrophobicContact CG-CG2 4.3Å; F219-Y540 HydrophobicContact CB-CD1 3.74Å; F219-Y540 HydrophobicContact CB-CE1 4.28Å; F219-Y540 HydrophobicContact CB-CG 3.94Å; F219-Y540 AromaticContact CD1-CD1 3.84Å; F219-Y540 HydrophobicContact CD1-CD1 3.84Å; F219-Y540 HydrophobicContact CD1-CE1 4.33Å; F219-Y540 HydrophobicContact CG-CD1 4.24Å; F219-I541 HydrophobicContact CD1-CD1 4.41Å; F219-I541 HydrophobicContact CD1-CG1 3.96Å; F219-I541 HydrophobicContact CE1-CD1 3.74Å; F219-I541 HydrophobicContact CE1-CG1 3.58Å; F219-I541 HydrophobicContact CZ-CD1 3.84Å; F219-I541 HydrophobicContact CZ-CG1 4.22Å
220	F	89.3	Confident	87.7	Confident	83 Å²	83	51.1 Å²	51.1	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-53.9	-50.2	169.6	172	-101.3	0	0	0	112.1	V216 Y217 A222 E223 K224 Y540	V216-F220 WeakPolarHBondContact O-CB 2.95Å; V216-F220 PolarHBondContact O-N 2.88Å; Y217-F220 PolarHBondContact O-N 3.45Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 2.93Å; F220-E223 PolarHBondContact O-N 2.96Å; F220-K224 HydrophobicContact CD2-CG 4.42Å; F220-K224 HydrophobicContact CE1-CG 4.17Å; F220-K224 HydrophobicContact CE2-CD 4.35Å; F220-K224 HydrophobicContact CE2-CG 4.04Å; F220-K224 HydrophobicContact CZ-CD 4.42Å; F220-K224 HydrophobicContact CZ-CG 3.9Å; F220-K224 WeakPolarHBondContact O-CG 3.37Å; F220-K224 PolarHBondContact O-N 2.9Å; F220-Y540 WeakPolarHBondContact CA-OH 3.47Å; F220-Y540 HydrophobicContact CB-CD2 4.31Å; F220-Y540 HydrophobicContact CB-CE2 3.55Å; F220-Y540 HydrophobicContact CD2-CE2 4.15Å; F220-Y540 HydrophobicContact CG-CE2 4.36Å
221	M	89.8	Confident	87.1	Confident	70 Å²	70	49.1 Å²	49.1	35%	0.345	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-40.7	179.6	-172.9	61.4	68.1	0	0	111.4	Y217 F218 F219 K224 I225	Y217-M221 HydrophobicContact CE1-CE 4.25Å; Y217-M221 HydrophobicContact CE2-CE 4.29Å; Y217-M221 WeakPolarHBondContact O-CB 3.49Å; Y217-M221 PolarHBondContact O-N 3.19Å; Y217-M221 WeakPolarHBondContact OH-CE 3Å; F218-M221 PolarHBondContact O-N 3.24Å; F219-M221 VanDerWaalsContact C-N 3.34Å; F219-M221 PolarHBondContact O-N 2.81Å; M221-K224 PolarHBondContact O-N 3.22Å; M221-I225 HydrophobicContact CG-CD1 3.89Å; M221-I225 HydrophobicContact CG-CG1 4.5Å; M221-I225 WeakPolarHBondContact O-CB 3.49Å; M221-I225 VanDerWaalsContact O-CG1 3.26Å; M221-I225 WeakPolarHBondContact O-CG1 3.41Å; M221-I225 PolarHBondContact O-N 3.14Å; M221-I225 HydrophobicContact SD-CD1 4.29Å; M221-I225 HydrophobicContact SD-CG1 4.44Å
222	A	85.4	Confident	86.5	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-53.1	175.5	0	0	0	0	0	110.6	I2 F218 F219 F220 K224 I225 L226 L447	I2-A222 HydrophobicContact CD1-CB 3.86Å; I2-A222 HydrophobicContact CG1-CB 4.38Å; F218-A222 WeakPolarHBondContact O-CB 3.37Å; F218-A222 PolarHBondContact O-N 3.47Å; F219-A222 PolarHBondContact O-N 3.26Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 2.93Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.35Å; A222-I225 PolarHBondContact O-N 3.14Å; A222-L226 WeakPolarHBondContact O-CB 3.21Å; A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 2.82Å; A222-L447 HydrophobicContact CB-CD1 4Å
223	E	82.7	Confident	85.9	Confident	31 Å²	31	61.5 Å²	61.5	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-43.2	177.7	-166.2	-161.2	132.5	0	0	111.7	F219 F220 L226 S227 M440 Y540	F219-E223 WeakPolarHBondContact O-CB 3.47Å; F219-E223 PolarHBondContact O-N 3.21Å; F220-E223 PolarHBondContact O-N 2.96Å; E223-L226 PolarHBondContact O-N 2.86Å; E223-S227 WeakPolarHBondContact O-CB 3.4Å; E223-S227 PolarHBondContact O-N 2.91Å; E223-M440 HydrophobicContact CG-CE 3.98Å; E223-M440 WeakPolarHBondContact OE1-CE 3.3Å; E223-Y540 WeakPolarHBondContact OE2-CE1 3.29Å; E223-Y540 VanDerWaalsContact OE2-CZ 3.23Å; E223-Y540 PolarHBondContact OE2-OH 2.83Å
224	K	85.3	Confident	85	Confident	67 Å²	67	58 Å²	58	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.2	-68.3	-56.7	171.6	-152.4	0	112.7	F220 M221 A222 L226 S227 L228	F220-K224 HydrophobicContact CD2-CG 4.42Å; F220-K224 HydrophobicContact CE1-CG 4.17Å; F220-K224 HydrophobicContact CE2-CD 4.35Å; F220-K224 HydrophobicContact CE2-CG 4.04Å; F220-K224 HydrophobicContact CZ-CD 4.42Å; F220-K224 HydrophobicContact CZ-CG 3.9Å; F220-K224 WeakPolarHBondContact O-CG 3.37Å; F220-K224 PolarHBondContact O-N 2.9Å; M221-K224 PolarHBondContact O-N 3.22Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.35Å; K224-L226 PolarHBondContact O-N 2.88Å; K224-S227 PolarHBondContact O-N 2.93Å; K224-L228 WeakPolarHBondContact O-CB 3.28Å; K224-L228 VanDerWaalsContact O-CG 3.23Å; K224-L228 WeakPolarHBondContact O-CG 3.45Å; K224-L228 PolarHBondContact O-N 2.91Å
225	I	86.6	Confident	84.4	Confident	46 Å²	46	61 Å²	61	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-38.1	176.3	-69.5	167.9	0	0	0	110.4	M1 M221 A222 T229	M1-I225 HydrophobicContact CB-CG2 4.5Å; M221-I225 HydrophobicContact CG-CD1 3.89Å; M221-I225 HydrophobicContact CG-CG1 4.5Å; M221-I225 WeakPolarHBondContact O-CB 3.49Å; M221-I225 VanDerWaalsContact O-CG1 3.26Å; M221-I225 WeakPolarHBondContact O-CG1 3.41Å; M221-I225 PolarHBondContact O-N 3.14Å; M221-I225 HydrophobicContact SD-CD1 4.29Å; M221-I225 HydrophobicContact SD-CG1 4.44Å; A222-I225 PolarHBondContact O-N 3.14Å; I225-T229 VanDerWaalsContact O-CB 3.32Å; I225-T229 WeakPolarHBondContact O-CB 3.34Å; I225-T229 PolarHBondContact O-N 2.82Å; I225-T229 PolarHBondContact O-OG1 3.28Å
226	L	82.4	Confident	83.9	Confident	30 Å²	30	65.4 Å²	65.4	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-43.6	179.3	-68.4	172.5	0	0	0	112.4	I2 A222 E223 K224 T229 S230 M443 L447	I2-L226 HydrophobicContact CD1-CD1 4.1Å; I2-L226 HydrophobicContact CD1-CD2 3.99Å; I2-L226 HydrophobicContact CD1-CG 3.98Å; A222-L226 WeakPolarHBondContact O-CB 3.21Å; A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 2.82Å; E223-L226 PolarHBondContact O-N 2.86Å; K224-L226 PolarHBondContact O-N 2.88Å; L226-T229 PolarHBondContact O-N 3.15Å; L226-S230 WeakPolarHBondContact O-CB 3.41Å; L226-S230 PolarHBondContact O-N 3.1Å; L226-S230 PolarHBondContact O-OG 2.87Å; L226-M443 HydrophobicContact CD1-CB 4.01Å; L226-M443 HydrophobicContact CD1-CE 4.33Å; L226-M443 HydrophobicContact CD1-CG 3.22Å; L226-M443 HydrophobicContact CD2-CB 4.48Å; L226-M443 HydrophobicContact CD2-CE 3.87Å; L226-M443 HydrophobicContact CD2-CG 3.46Å; L226-M443 VanDerWaalsContact CD2-CG 3.46Å; L226-M443 HydrophobicContact CD2-SD 4.15Å; L226-M443 HydrophobicContact CG-CG 3.87Å; L226-L447 HydrophobicContact CD1-CD1 3.77Å
227	S	80.9	Confident	83.1	Confident	19 Å²	19	69.2 Å²	69.2	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-46	173.3	-162	0	0	0	0	110.9	E223 K224 T229 S230 E231	E223-S227 WeakPolarHBondContact O-CB 3.4Å; E223-S227 PolarHBondContact O-N 2.91Å; K224-S227 PolarHBondContact O-N 2.93Å; S227-T229 VanDerWaalsContact C-N 3.32Å; S227-T229 PolarHBondContact O-N 3.05Å; S227-S230 PolarHBondContact O-N 3.12Å; S227-S230 PolarHBondContact O-OG 2.73Å; S227-E231 VanDerWaalsContact O-CB 3.29Å; S227-E231 WeakPolarHBondContact O-CB 3.41Å; S227-E231 WeakPolarHBondContact O-CG 3.28Å; S227-E231 PolarHBondContact O-N 2.85Å; S227-E231 PolarHBondContact OG-OE1 3Å
228	L	83.8	Confident	82.5	Confident	113 Å²	113	66 Å²	66	59%	0.592	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-39.4	176.9	-69.3	173.6	0	0	0	112.1	K224 Y232	K224-L228 WeakPolarHBondContact O-CB 3.28Å; K224-L228 VanDerWaalsContact O-CG 3.23Å; K224-L228 WeakPolarHBondContact O-CG 3.45Å; K224-L228 PolarHBondContact O-N 2.91Å; L228-Y232 VanDerWaalsContact O-CB 3.23Å; L228-Y232 WeakPolarHBondContact O-CB 3.26Å; L228-Y232 PolarHBondContact O-N 3.29Å
229	T	81.2	Confident	82.1	Confident	58 Å²	58	69.1 Å²	69.1	36%	0.356	33%	0.328	S	S	.	.	H	α-helix	trans	-70.4	-38.9	178.8	-57.2	0	0	0	0	111.6	I225 L226 S227 R233	I225-T229 VanDerWaalsContact O-CB 3.32Å; I225-T229 WeakPolarHBondContact O-CB 3.34Å; I225-T229 PolarHBondContact O-N 2.82Å; I225-T229 PolarHBondContact O-OG1 3.28Å; L226-T229 PolarHBondContact O-N 3.15Å; S227-T229 VanDerWaalsContact C-N 3.32Å; S227-T229 PolarHBondContact O-N 3.05Å; T229-R233 WeakPolarHBondContact O-CB 3.39Å; T229-R233 VanDerWaalsContact O-CG 3.3Å; T229-R233 WeakPolarHBondContact O-CG 3.5Å; T229-R233 PolarHBondContact O-N 3.48Å
230	S	76.1	Confident	81.9	Confident	13 Å²	13	75.3 Å²	75.3	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-70	-42.1	178.5	70.2	0	0	0	0	111	L226 S227 R233 A234	L226-S230 WeakPolarHBondContact O-CB 3.41Å; L226-S230 PolarHBondContact O-N 3.1Å; L226-S230 PolarHBondContact O-OG 2.87Å; S227-S230 PolarHBondContact O-N 3.12Å; S227-S230 PolarHBondContact O-OG 2.73Å; S230-R233 PolarHBondContact O-N 2.93Å; S230-A234 WeakPolarHBondContact O-CB 3.29Å; S230-A234 PolarHBondContact O-N 2.78Å
231	E	78.2	Confident	81.5	Confident	58 Å²	58	73.1 Å²	73.1	27%	0.271	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-49.2	172.9	-74	168.3	-145.1	0	0	111.1	S227 R233 A234 E235	S227-E231 VanDerWaalsContact O-CB 3.29Å; S227-E231 WeakPolarHBondContact O-CB 3.41Å; S227-E231 WeakPolarHBondContact O-CG 3.28Å; S227-E231 PolarHBondContact O-N 2.85Å; S227-E231 PolarHBondContact OG-OE1 3Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 3.19Å; E231-A234 WeakPolarHBondContact O-CB 3.42Å; E231-A234 PolarHBondContact O-N 3.01Å; E231-A234 VanDerWaalsContact O-N 3.11Å; E231-E235 WeakPolarHBondContact O-CG 3.39Å; E231-E235 PolarHBondContact O-N 3.05Å
232	Y	80.7	Confident	81.1	Confident	127 Å²	127	73.3 Å²	73.3	50%	0.498	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-36.7	177.3	-178.2	-107.4	0	0	0	113.2	L228 K236	L228-Y232 VanDerWaalsContact O-CB 3.23Å; L228-Y232 WeakPolarHBondContact O-CB 3.26Å; L228-Y232 PolarHBondContact O-N 3.29Å; Y232-K236 HydrophobicContact CD1-CD 4.19Å; Y232-K236 HydrophobicContact CE1-CD 3.56Å; Y232-K236 HydrophobicContact CE1-CG 4.37Å; Y232-K236 HydrophobicContact CE2-CD 4.35Å; Y232-K236 HydrophobicContact CE2-CG 4.48Å; Y232-K236 WeakPolarHBondContact O-CB 3.37Å; Y232-K236 WeakPolarHBondContact O-CG 3.31Å; Y232-K236 PolarHBondContact O-N 3.1Å; Y232-K236 WeakPolarHBondContact OH-CE 3.23Å; Y232-K236 PolarHBondContact OH-NZ 3.4Å
233	R	79.4	Confident	81	Confident	165 Å²	165	82.1 Å²	82.1	62%	0.623	38%	0.381	S	S	*	.	H	α-helix	trans	-69.8	-38.8	174.8	-77.1	-179.7	-174.7	-155.3	3.8	111.9	T229 S230 E231 K237	T229-R233 WeakPolarHBondContact O-CB 3.39Å; T229-R233 VanDerWaalsContact O-CG 3.3Å; T229-R233 WeakPolarHBondContact O-CG 3.5Å; T229-R233 PolarHBondContact O-N 3.48Å; S230-R233 PolarHBondContact O-N 2.93Å; E231-R233 VanDerWaalsContact C-N 3.29Å; E231-R233 PolarHBondContact O-N 3.19Å; R233-K237 WeakPolarHBondContact O-CB 3.4Å; R233-K237 PolarHBondContact O-N 3.07Å; R233-K237 VanDerWaalsContact O-N 3.1Å
234	A	76.3	Confident	81.1	Confident	41 Å²	41	86.6 Å²	86.6	34%	0.339	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-48.3	175.7	0	0	0	0	0	110.6	S230 E231 K236 K237 L238	S230-A234 WeakPolarHBondContact O-CB 3.29Å; S230-A234 PolarHBondContact O-N 2.78Å; E231-A234 WeakPolarHBondContact O-CB 3.42Å; E231-A234 PolarHBondContact O-N 3.01Å; E231-A234 VanDerWaalsContact O-N 3.11Å; A234-K236 PolarHBondContact O-N 3.31Å; A234-K237 PolarHBondContact O-N 3.22Å; A234-K237 VanDerWaalsContact O-N 3.12Å; A234-L238 PolarHBondContact O-N 2.85Å
235	E	79.5	Confident	81.1	Confident	97 Å²	97	89 Å²	89	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-59.5	-48.1	176.9	-71.9	179.9	170.6	0	0	111.7	E231 K237 L238 E239 K314	E231-E235 WeakPolarHBondContact O-CG 3.39Å; E231-E235 PolarHBondContact O-N 3.05Å; E235-K237 PolarHBondContact O-N 3.05Å; E235-L238 PolarHBondContact O-N 3.24Å; E235-E239 WeakPolarHBondContact O-CG 3.21Å; E235-E239 PolarHBondContact O-N 3.17Å; E235-K314 IonicContact OE1-NZ 3.31Å
236	K	80.9	Confident	80.8	Confident	95 Å²	95	89.8 Å²	89.8	41%	0.413	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-25.4	176.8	-85.5	-168.4	158.1	177.3	0	114.5	Y232 A234 K240	Y232-K236 HydrophobicContact CD1-CD 4.19Å; Y232-K236 HydrophobicContact CE1-CD 3.56Å; Y232-K236 HydrophobicContact CE1-CG 4.37Å; Y232-K236 HydrophobicContact CE2-CD 4.35Å; Y232-K236 HydrophobicContact CE2-CG 4.48Å; Y232-K236 WeakPolarHBondContact O-CB 3.37Å; Y232-K236 WeakPolarHBondContact O-CG 3.31Å; Y232-K236 PolarHBondContact O-N 3.1Å; Y232-K236 WeakPolarHBondContact OH-CE 3.23Å; Y232-K236 PolarHBondContact OH-NZ 3.4Å; A234-K236 PolarHBondContact O-N 3.31Å; K236-K240 VanDerWaalsContact O-CG 3.3Å; K236-K240 WeakPolarHBondContact O-CG 3.41Å
237	K	76.5	Confident	80.9	Confident	121 Å²	121	93.6 Å²	93.6	53%	0.526	44%	0.443	S	S	.	.	H	α-helix	trans	-81.4	-43.3	177.4	-164.8	-176	175.2	-144.2	0	109.9	R233 A234 E235 E239 K240 E241	R233-K237 WeakPolarHBondContact O-CB 3.4Å; R233-K237 PolarHBondContact O-N 3.07Å; R233-K237 VanDerWaalsContact O-N 3.1Å; A234-K237 PolarHBondContact O-N 3.22Å; A234-K237 VanDerWaalsContact O-N 3.12Å; E235-K237 PolarHBondContact O-N 3.05Å; K237-E239 PolarHBondContact O-N 2.89Å; K237-K240 WeakPolarHBondContact O-CB 3.37Å; K237-K240 PolarHBondContact O-N 3.22Å; K237-E241 WeakPolarHBondContact CE-OE1 3.34Å; K237-E241 IonicContact NZ-OE1 3.21Å; K237-E241 PolarHBondContact NZ-OE1 3.49Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 3.48Å
238	L	79.2	Confident	80.9	Confident	74 Å²	74	99.7 Å²	99.7	39%	0.387	47%	0.473	S	S	.	.	H	α-helix	trans	-58.2	-45	172.9	-172.4	124.9	0	0	0	111.7	A234 E235 K240 E241 D242	A234-L238 PolarHBondContact O-N 2.85Å; E235-L238 PolarHBondContact O-N 3.24Å; L238-K240 PolarHBondContact O-N 2.73Å; L238-E241 PolarHBondContact O-N 3.21Å; L238-D242 WeakPolarHBondContact CD2-OD2 3.34Å; L238-D242 WeakPolarHBondContact O-CB 3.36Å; L238-D242 PolarHBondContact O-N 3.4Å
239	E	82.5	Confident	80.2	Confident	130 Å²	130	100.4 Å²	100.4	61%	0.607	48%	0.478	S	S	*	.	H	α-helix	trans	-59	-34.1	174.4	-75	-177.6	159.3	0	0	113.1	E235 K237 R243	E235-E239 WeakPolarHBondContact O-CG 3.21Å; E235-E239 PolarHBondContact O-N 3.17Å; K237-E239 PolarHBondContact O-N 2.89Å; E239-R243 VanDerWaalsContact O-CB 3.26Å; E239-R243 WeakPolarHBondContact O-CB 3.17Å; E239-R243 PolarHBondContact O-N 2.84Å; E239-R243 VanDerWaalsContact O-N 3.15Å
240	K	83.8	Confident	79.4	Confident	141 Å²	141	103.1 Å²	103.1	61%	0.613	49%	0.489	S	S	*	.	H	α-helix	trans	-73.5	-43.9	176.4	-73.9	173.8	-177.9	-175.3	0	111.3	K236 K237 L238 R243 E244	K236-K240 VanDerWaalsContact O-CG 3.3Å; K236-K240 WeakPolarHBondContact O-CG 3.41Å; K237-K240 WeakPolarHBondContact O-CB 3.37Å; K237-K240 PolarHBondContact O-N 3.22Å; L238-K240 PolarHBondContact O-N 2.73Å; K240-R243 WeakPolarHBondContact O-CB 3.46Å; K240-R243 PolarHBondContact O-N 2.91Å; K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.38Å
241	E	79.4	Confident	78.4	Confident	38 Å²	38	108.1 Å²	108.1	18%	0.178	52%	0.521	C	S	.	.	H	α-helix	trans	-66.5	-41.9	179.3	-69.6	179.1	-164.9	0	0	111.2	K237 L238 R243 E244 R245	K237-E241 WeakPolarHBondContact CE-OE1 3.34Å; K237-E241 IonicContact NZ-OE1 3.21Å; K237-E241 PolarHBondContact NZ-OE1 3.49Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 3.48Å; L238-E241 PolarHBondContact O-N 3.21Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 PolarHBondContact O-N 3.23Å; E241-E244 PolarHBondContact O-N 2.9Å; E241-E244 VanDerWaalsContact O-N 3.15Å; E241-R245 WeakPolarHBondContact O-CB 3.38Å; E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.46Å; E241-R245 PolarHBondContact O-N 3.16Å; E241-R245 IonicContact OE2-NH2 3.76Å
242	D	81.3	Confident	77.3	Confident	73 Å²	73	112 Å²	112	39%	0.39	55%	0.548	S	S	.	.	H	α-helix	trans	-64.4	-35.6	173.9	-74.9	-16.9	0	0	0	111.9	L238 R245 A246	L238-D242 WeakPolarHBondContact CD2-OD2 3.34Å; L238-D242 WeakPolarHBondContact O-CB 3.36Å; L238-D242 PolarHBondContact O-N 3.4Å; D242-R245 IonicContact OD1-NH1 3.85Å; D242-R245 PolarHBondContact OD1-NH1 3.06Å; D242-A246 VanDerWaalsContact O-CB 3.23Å; D242-A246 WeakPolarHBondContact O-CB 3.46Å; D242-A246 PolarHBondContact O-N 3.47Å
243	R	85.3	Confident	75.8	Confident	187 Å²	187	109.3 Å²	109.3	71%	0.706	55%	0.553	S	S	*	*	H	α-helix	trans	-66.3	-39.9	172.4	-174.1	178.6	179.5	179.3	0.2	111.9	E239 K240 E241 A246 L247	E239-R243 VanDerWaalsContact O-CB 3.26Å; E239-R243 WeakPolarHBondContact O-CB 3.17Å; E239-R243 PolarHBondContact O-N 2.84Å; E239-R243 VanDerWaalsContact O-N 3.15Å; K240-R243 WeakPolarHBondContact O-CB 3.46Å; K240-R243 PolarHBondContact O-N 2.91Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 PolarHBondContact O-N 3.23Å; R243-A246 PolarHBondContact O-N 2.89Å; R243-L247 VanDerWaalsContact O-CG 3.28Å; R243-L247 WeakPolarHBondContact O-CG 3.25Å; R243-L247 PolarHBondContact O-N 3Å
244	E	84.3	Confident	74.3	Confident	126 Å²	126	107.7 Å²	107.7	59%	0.589	56%	0.564	S	S	*	*	H	α-helix	trans	-67	-42.9	175.4	-74.4	179.3	178.1	0	0	111.6	K240 E241 A246 L247 L248	K240-E244 WeakPolarHBondContact O-CG 3.38Å; K240-E244 PolarHBondContact O-N 3.38Å; E241-E244 PolarHBondContact O-N 2.9Å; E241-E244 VanDerWaalsContact O-N 3.15Å; E244-A246 PolarHBondContact O-N 3.49Å; E244-L247 PolarHBondContact O-N 3.16Å; E244-L248 WeakPolarHBondContact O-CG 3.43Å; E244-L248 PolarHBondContact O-N 2.9Å
245	R	84	Confident	72.7	Confident	117 Å²	117	111.6 Å²	111.6	44%	0.442	58%	0.583	S	S	.	*	H	α-helix	trans	-61.7	-41.4	173.2	-69.6	174.8	-170.1	150.8	2.3	111.8	E241 D242 L247 L248 N249	E241-R245 WeakPolarHBondContact O-CB 3.38Å; E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.46Å; E241-R245 PolarHBondContact O-N 3.16Å; E241-R245 IonicContact OE2-NH2 3.76Å; D242-R245 IonicContact OD1-NH1 3.85Å; D242-R245 PolarHBondContact OD1-NH1 3.06Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 3.13Å; R245-L248 PolarHBondContact O-N 3.49Å; R245-N249 WeakPolarHBondContact O-CB 3.42Å; R245-N249 PolarHBondContact O-N 3.35Å; R245-N249 PolarHBondContact O-ND2 3.12Å
246	A	81.7	Confident	70.7	Confident	62 Å²	62	112.7 Å²	112.7	51%	0.512	60%	0.596	S	S	.	*	H	α-helix	trans	-65.8	-32.5	175.9	0	0	0	0	0	112.8	D242 R243 E244	D242-A246 VanDerWaalsContact O-CB 3.23Å; D242-A246 WeakPolarHBondContact O-CB 3.46Å; D242-A246 PolarHBondContact O-N 3.47Å; R243-A246 PolarHBondContact O-N 2.89Å; E244-A246 PolarHBondContact O-N 3.49Å
247	L	83.5	Confident	68.6	Low	110 Å²	110	119.7 Å²	119.7	58%	0.576	62%	0.62	S	S	*	*	H	α-helix	trans	-73.6	-35.3	174.6	-73.5	172	0	0	0	112.6	R243 E244 R245 L250	R243-L247 VanDerWaalsContact O-CG 3.28Å; R243-L247 WeakPolarHBondContact O-CG 3.25Å; R243-L247 PolarHBondContact O-N 3Å; E244-L247 PolarHBondContact O-N 3.16Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 3.13Å; L247-L250 HydrophobicContact CD2-CD1 4.23Å; L247-L250 WeakPolarHBondContact O-CD1 3.47Å
248	L	80.8	Confident	66.7	Low	147 Å²	147	125.2 Å²	125.2	77%	0.77	64%	0.638	S	S	*	*	H	α-helix	trans	-72	-32.1	176.2	-72.5	168.7	0	0	0	112.6	E244 R245 L250	E244-L248 WeakPolarHBondContact O-CG 3.43Å; E244-L248 PolarHBondContact O-N 2.9Å; R245-L248 PolarHBondContact O-N 3.49Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.4Å
249	N	69.7	Low	64.4	Low	129 Å²	129	129.9 Å²	129.9	69%	0.69	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	24.2	178.2	-70.1	-34.7	0	0	0	113.8	R245 P251	R245-N249 WeakPolarHBondContact O-CB 3.42Å; R245-N249 PolarHBondContact O-N 3.35Å; R245-N249 PolarHBondContact O-ND2 3.12Å; N249-P251 WeakPolarHBondContact O-CD 3.31Å
250	L	64.8	Low	62.4	Low	115 Å²	115	129.2 Å²	129.2	60%	0.602	67%	0.672	S	S	*	*			trans	-60	122.8	173.1	-114.4	95.4	0	0	0	109.1	L247 L248 V252	L247-L250 HydrophobicContact CD2-CD1 4.23Å; L247-L250 WeakPolarHBondContact O-CD1 3.47Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.4Å; L250-V252 PolarHBondContact O-N 3.03Å; L250-V252 VanDerWaalsContact O-N 3.07Å
251	P	55.4	Low	60.6	Low	117 Å²	117	127.7 Å²	127.7	76%	0.76	68%	0.679	S	S	*	*			trans	-61.3	120.3	176.6	23.2	-30.2	0	0	0	108.1	N249 A253	N249-P251 WeakPolarHBondContact O-CD 3.31Å; P251-A253 VanDerWaalsContact C-N 3.34Å; P251-A253 PolarHBondContact O-N 3.41Å
252	V	54.1	Low	58.5	Low	139 Å²	139	132.1 Å²	132.1	84%	0.842	71%	0.708	S	S	*	*			trans	-57	103.3	167.9	177.2	0	0	0	0	106.3	L250	L250-V252 PolarHBondContact O-N 3.03Å; L250-V252 VanDerWaalsContact O-N 3.07Å
253	A	49.7	Very low	56.5	Low	72 Å²	72	140.2 Å²	140.2	60%	0.595	73%	0.733	S	S	*	*			trans	-56.9	128.6	172.4	0	0	0	0	0	107.4	P251 V255	P251-A253 VanDerWaalsContact C-N 3.34Å; P251-A253 PolarHBondContact O-N 3.41Å; A253-V255 PolarHBondContact O-N 3.33Å
254	P	47.6	Very low	54.2	Low	130 Å²	130	137 Å²	137	84%	0.844	74%	0.736	S	S	*	*			trans	-64.4	107.6	-179.4	23.6	-30.4	0	0	0	109	T256	P254-T256 PolarHBondContact O-N 2.98Å
255	V	42.6	Very low	52.1	Low	123 Å²	123	135.9 Å²	135.9	75%	0.745	74%	0.743	S	S	*	*			trans	-68.4	109.6	173.6	173.7	0	0	0	0	108.1	A253	A253-V255 PolarHBondContact O-N 3.33Å
256	T	37.3	Very low	49.9	Very low	120 Å²	120	138.4 Å²	138.4	74%	0.736	76%	0.764	S	S	*	*			trans	61	110.7	155.2	62.2	0	0	0	0	119	P254	P254-T256 PolarHBondContact O-N 2.98Å
257	R	37.8	Very low	47.7	Very low	242 Å²	242	139.8 Å²	139.8	91%	0.913	78%	0.776	S	S	*	*			trans	-149.9	100.5	134.1	-115.3	178.5	-154.6	148.9	5.6	112.1
258	R	35.5	Very low	45.6	Very low	238 Å²	238	140.7 Å²	140.7	90%	0.898	79%	0.788	S	S	*	*			trans	54.2	115.4	145.1	-61.3	-166.8	-173.3	-118.1	3.7	120
259	L	32.2	Very low	43.5	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	79%	0.793	S	S	*	*			trans	-22.2	129.5	144	-97.9	82.5	0	0	0	114.3
260	S	40	Very low	42	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	80%	0.8	S	S	*	*				-178.7	146	120.2	46.6	0	0	0	0	111.9
261	S	46.4	Very low	40.7	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	81%	0.813	S	S	*	*			trans	70.1	82.2	165.6	167.4	0	0	0	0	116.3
262	V	34.3	Very low	39.8	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	82%	0.816	S	S	*	*				43.6	95.9	76.8	-171.5	0	0	0	0	114.3
263	R	40.3	Very low	39.1	Very low	244 Å²	244	137.3 Å²	137.3	92%	0.921	81%	0.81	S	S	*	*			trans	-163.5	117.6	130.7	-123.6	-178.4	-166.3	149.8	3.9	112
264	P	35.4	Very low	38.8	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	82%	0.823	S	S	*	*			trans	-110.4	133.6	158.9	34	-22.1	0	0	0	110.1
265	S	40.8	Very low	38.3	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	82%	0.821	S	S	*	*			trans	-169.3	100	161.6	-169.7	0	0	0	0	109.4
266	L	37.8	Very low	37.9	Very low	170 Å²	170	137.7 Å²	137.7	89%	0.89	82%	0.817	S	S	*	*				82.9	121	110.1	-91.9	73.3	0	0	0	115.8
267	A	35	Very low	37.7	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	83%	0.827	S	S	*	*			trans	-78.4	-159.1	171.1	0	0	0	0	0	111.7
268	P	40.8	Very low	37.6	Very low	128 Å²	128	136.9 Å²	136.9	83%	0.831	83%	0.826	S	S	*	*			cis	-132.6	172.4	-30.1	26.1	-4.1	0	0	0	113.5
269	G	36.6	Very low	37.6	Very low	86 Å²	86	137.3 Å²	137.3	89%	0.887	83%	0.827	S	S	*	*			trans	113	123.8	151.5	0	0	0	0	0	117.2
270	G	37.7	Very low	37.5	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	83%	0.829	S	S	*	*			trans	159.7	75.3	171.1	0	0	0	0	0	115.6
271	L	36.9	Very low	36.9	Very low	165 Å²	165	143.2 Å²	143.2	86%	0.864	83%	0.832	S	S	*	*			trans	-28.9	133.4	160.1	-88.9	150.4	0	0	0	117.4
272	L	37.4	Very low	36.4	Very low	159 Å²	159	143.4 Å²	143.4	83%	0.832	83%	0.833	S	S	*	*			trans	133.2	108.4	131.7	-78.4	158.6	0	0	0	117
273	A	39.1	Very low	36.5	Very low	86 Å²	86	146.2 Å²	146.2	71%	0.711	84%	0.837	S	S	*	*			trans	61.6	103	134	0	0	0	0	0	121.3
274	V	44.2	Very low	36.3	Very low	142 Å²	142	143.1 Å²	143.1	86%	0.861	84%	0.838	S	S	*	*			trans	-146.1	121.8	132.8	-177.8	0	0	0	0	109
275	P	35.4	Very low	36.4	Very low	125 Å²	125	143 Å²	143	81%	0.812	83%	0.831	S	S	*	*			trans	-90.2	126.6	172.7	32.6	-25.9	0	0	0	110.2
276	G	34.8	Very low	36.5	Very low	65 Å²	65	143.3 Å²	143.3	67%	0.67	83%	0.831	S	S	*	*			trans	149	74.8	169.1	0	0	0	0	0	115
277	Q	34.2	Very low	36.7	Very low	199 Å²	199	139.6 Å²	139.6	93%	0.93	82%	0.815	S	S	*	*			trans	172.9	93.7	146.5	-105.1	170.2	-43.5	0	0	109.3
278	T	35.8	Very low	37.1	Very low	146 Å²	146	140.2 Å²	140.2	90%	0.896	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-102.6	121.9	153.9	33.7	0	0	0	0	108.4
279	R	35	Very low	37	Very low	247 Å²	247	139.1 Å²	139.1	93%	0.932	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-50.4	139.5	177.8	-86.8	169.2	165.8	152.7	-4.9	111.8	L281	R279-L281 PolarHBondContact O-N 3.28Å
280	R	28.8	Very low	36.9	Very low	248 Å²	248	145 Å²	145	94%	0.936	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-50.8	117	172.3	-69.6	-176	-179.1	-152	1.3	111.4
281	L	29.1	Very low	36.7	Very low	163 Å²	163	152 Å²	152	85%	0.853	81%	0.805	S	S	*	*			trans	-132.4	141.2	155.7	-169.6	68.7	0	0	0	105.2	R279	R279-L281 PolarHBondContact O-N 3.28Å
282	S	35.9	Very low	36.8	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	79%	0.793	S	S	*	*			trans	87	99.4	-174.7	78.9	0	0	0	0	116.1
283	Q	35.8	Very low	36.8	Very low	189 Å²	189	143.9 Å²	143.9	88%	0.883	78%	0.78	S	S	*	*			trans	-171.9	82.5	137.5	-103.6	-178.1	-0.8	0	0	106.8
284	L	36.7	Very low	36.6	Very low	179 Å²	179	150 Å²	150	94%	0.937	79%	0.785	S	S	*	*			trans	-112.4	126.6	154.1	-97.8	98.4	0	0	0	107.9
285	D	35.9	Very low	36.3	Very low	116 Å²	116	147.1 Å²	147.1	62%	0.62	78%	0.776	S	S	*	*			trans	-66.5	127.9	-170.1	-165.7	23	0	0	0	111.5	T287	D285-T287 PolarHBondContact O-N 2.72Å; D285-T287 PolarHBondContact OD2-OG1 2.91Å
286	P	42.9	Very low	36.3	Very low	110 Å²	110	147.5 Å²	147.5	71%	0.714	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	17.1	-173.5	29.8	-35.6	0	0	0	114.7
287	T	43.5	Very low	36.4	Very low	93 Å²	93	148.8 Å²	148.8	57%	0.571	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-20.4	-172.4	58.5	0	0	0	0	113.6	D285	D285-T287 PolarHBondContact O-N 2.72Å; D285-T287 PolarHBondContact OD2-OG1 2.91Å
288	S	43.1	Very low	36.5	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-81.2	-20.2	-178.7	-62.5	0	0	0	0	114.8
289	C	37.4	Very low	36.6	Very low	104 Å²	104	143 Å²	143	70%	0.703	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-83.4	-6.4	179.9	-79.7	0	0	0	0	115.1	S293	C289-S293 PolarHBondContact O-OG 2.73Å
290	R	35.5	Very low	36.8	Very low	209 Å²	209	136.5 Å²	136.5	79%	0.789	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-83.2	-15.4	-173.4	-100.7	-175.3	-173.1	-159.7	2.4	115.7
291	R	33.8	Very low	37.5	Very low	228 Å²	228	133.8 Å²	133.8	86%	0.86	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-31.1	-175.7	-163.9	173.4	-71.3	175.3	-0.8	113
292	A	37.5	Very low	37.9	Very low	76 Å²	76	133.6 Å²	133.6	63%	0.628	73%	0.726	S	S	*	*	H	α-helix	trans	-72.7	-31.8	177.3	0	0	0	0	0	112.9	R294	A292-R294 VanDerWaalsContact C-N 3.33Å; A292-R294 PolarHBondContact O-N 3.02Å
293	S	38.7	Very low	38.2	Very low	79 Å²	79	131.4 Å²	131.4	55%	0.552	71%	0.708	S	S	*	*	H	α-helix	trans	-72.5	-20.3	-175.6	-31.3	0	0	0	0	114.4	C289	C289-S293 PolarHBondContact O-OG 2.73Å
294	R	34.2	Very low	38.1	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	71%	0.709	S	S	*	*	H	α-helix	trans	-89.2	-22.2	-178.9	-80.3	-173.4	172.3	-173.1	-2.8	114.1	A292 M296	A292-R294 VanDerWaalsContact C-N 3.33Å; A292-R294 PolarHBondContact O-N 3.02Å; R294-M296 VanDerWaalsContact C-N 3.34Å
295	A	37.9	Very low	38.3	Very low	82 Å²	82	130.1 Å²	130.1	68%	0.678	70%	0.704	S	S	*	*	H	α-helix	trans	-75.7	-26.8	171.9	0	0	0	0	0	112	S297	A295-S297 PolarHBondContact O-N 3.46Å
296	M	35.7	Very low	38.7	Very low	133 Å²	133	128.2 Å²	128.2	66%	0.655	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-13.3	-178	-156	82.4	-158.7	0	0	114.3	R294	R294-M296 VanDerWaalsContact C-N 3.34Å
297	S	36.2	Very low	38.6	Very low	92 Å²	92	125.8 Å²	125.8	64%	0.643	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-9.4	-174.3	-177.6	0	0	0	0	114.5	A295	A295-S297 PolarHBondContact O-N 3.46Å
298	I	37.9	Very low	38.5	Very low	156 Å²	156	126.3 Å²	126.3	80%	0.8	69%	0.69	S	S	*	*	S	Bend	trans	-102.9	-5.4	-176	-61	175	0	0	0	111.6
299	A	37.9	Very low	38.4	Very low	67 Å²	67	123.8 Å²	123.8	55%	0.554	67%	0.672	S	S	*	*	S	Bend	trans	-101.7	7.1	-179.3	0	0	0	0	0	114.4	V303	A299-V303 WeakPolarHBondContact O-CG2 3.46Å
300	N	39.2	Very low	38.6	Very low	111 Å²	111	121.8 Å²	121.8	59%	0.594	66%	0.66	S	S	*	*	S	Bend	trans	-101.5	4.3	-170.6	-88.8	1.3	0	0	0	115.8
301	E	43.6	Very low	38.8	Very low	192 Å²	192	115.4 Å²	115.4	90%	0.897	64%	0.637	S	S	*	*	S	Bend	trans	-100.7	-9	-179.5	-71.4	-137.9	145.9	0	0	115.8
302	D	37.6	Very low	39.1	Very low	158 Å²	158	107 Å²	107	85%	0.845	62%	0.616	S	S	*	*	S	Bend	trans	-107.9	13	176.2	-63.5	-37.2	0	0	0	113.3
303	V	42.1	Very low	39	Very low	68 Å²	68	109.4 Å²	109.4	41%	0.412	62%	0.617	S	S	.	*			trans	-90.9	-1.6	-163.9	172.3	0	0	0	0	114.1	A299	A299-V303 WeakPolarHBondContact O-CG2 3.46Å
304	F	32.1	Very low	39.3	Very low	205 Å²	205	111 Å²	111	90%	0.899	61%	0.613	S	S	*	*	S	Bend	trans	-99.3	1.7	-166.4	-140.2	-95.9	0	0	0	116.8
305	V	41.6	Very low	39.8	Very low	137 Å²	137	103.3 Å²	103.3	83%	0.83	59%	0.592	S	S	*	*	S	Bend	trans	-122.4	-17.3	-170.1	-179.2	0	0	0	0	114.8
306	T	43.7	Very low	40.5	Very low	75 Å²	75	104.5 Å²	104.5	46%	0.46	59%	0.586	S	S	.	*			trans	-119.7	116.8	-179	58.4	0	0	0	0	110.8	L308	T306-L308 PolarHBondContact O-N 3.24Å
307	G	40.6	Very low	41.2	Very low	59 Å²	59	103 Å²	103	61%	0.608	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	13.7	177.1	0	0	0	0	0	115.2
308	L	41.7	Very low	42.4	Very low	104 Å²	104	103.1 Å²	103.1	55%	0.545	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	-14.4	179	-77.9	97.3	0	0	0	113.6	T306 S310 K311	T306-L308 PolarHBondContact O-N 3.24Å; L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.33Å; L308-K311 PolarHBondContact O-N 2.75Å
309	S	42.5	Very low	43.2	Very low	51 Å²	51	101.7 Å²	101.7	36%	0.357	57%	0.567	S	S	.	*	H	α-helix	trans	-69	-22.1	-175.3	-168.2	0	0	0	0	114.9	K311 A312 M313	S309-K311 PolarHBondContact O-N 3.44Å; S309-A312 PolarHBondContact O-N 3.21Å; S309-M313 VanDerWaalsContact O-CB 3.32Å; S309-M313 WeakPolarHBondContact O-CB 3.35Å; S309-M313 PolarHBondContact O-N 3.49Å
310	S	41	Very low	44.2	Very low	63 Å²	63	105.7 Å²	105.7	44%	0.441	57%	0.568	S	S	.	*	H	α-helix	trans	-61	-35.5	174.2	176.5	0	0	0	0	111.6	L308 K314	L308-S310 VanDerWaalsContact C-N 3.32Å; L308-S310 PolarHBondContact O-N 3.33Å; S310-K314 WeakPolarHBondContact O-CB 3.33Å; S310-K314 PolarHBondContact O-N 3.34Å
311	K	38.6	Very low	45.4	Very low	74 Å²	74	103.2 Å²	103.2	32%	0.322	56%	0.56	S	S	.	*	H	α-helix	trans	-76.5	-34.1	-179.6	-72.7	177.5	177.4	169.5	0	113	L308 S309 S315	L308-K311 PolarHBondContact O-N 2.75Å; S309-K311 PolarHBondContact O-N 3.44Å; K311-S315 WeakPolarHBondContact O-CB 3.23Å; K311-S315 PolarHBondContact O-N 2.66Å; K311-S315 PolarHBondContact O-OG 2.97Å
312	A	39.8	Very low	46.2	Very low	51 Å²	51	101.1 Å²	101.1	42%	0.421	55%	0.545	S	S	.	.	H	α-helix	trans	-75.2	-33.3	174.7	0	0	0	0	0	112.3	S309 S315 I316	S309-A312 PolarHBondContact O-N 3.21Å; A312-S315 PolarHBondContact O-OG 3.09Å; A312-S315 VanDerWaalsContact O-OG 3.07Å; A312-I316 VanDerWaalsContact O-CD1 3.31Å; A312-I316 WeakPolarHBondContact O-CD1 3.2Å; A312-I316 WeakPolarHBondContact O-CG1 3.4Å; A312-I316 PolarHBondContact O-N 3.3Å
313	M	37.1	Very low	47.5	Very low	128 Å²	128	96.4 Å²	96.4	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-77.4	-40.8	-179.9	-164.7	159.8	164.4	0	0	112	S309 I316 D317	S309-M313 VanDerWaalsContact O-CB 3.32Å; S309-M313 WeakPolarHBondContact O-CB 3.35Å; S309-M313 PolarHBondContact O-N 3.49Å; M313-I316 PolarHBondContact O-N 3.33Å; M313-D317 PolarHBondContact O-N 2.95Å
314	K	45.2	Very low	49	Very low	111 Å²	111	98.6 Å²	98.6	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-67.7	-36	173.2	-87.3	179.9	173.3	178.3	0	113.2	E235 S310 I316 D317 I318	E235-K314 IonicContact OE1-NZ 3.31Å; S310-K314 WeakPolarHBondContact O-CB 3.33Å; S310-K314 PolarHBondContact O-N 3.34Å; K314-I316 VanDerWaalsContact C-N 3.33Å; K314-D317 PolarHBondContact O-N 2.94Å; K314-I318 WeakPolarHBondContact O-CD1 3.07Å; K314-I318 VanDerWaalsContact O-CG1 3.24Å; K314-I318 WeakPolarHBondContact O-CG1 3.45Å; K314-I318 PolarHBondContact O-N 3.43Å
315	S	44.6	Very low	50.8	Low	52 Å²	52	94.3 Å²	94.3	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-33.4	177.7	63.3	0	0	0	0	112.2	K311 A312 L319	K311-S315 WeakPolarHBondContact O-CB 3.23Å; K311-S315 PolarHBondContact O-N 2.66Å; K311-S315 PolarHBondContact O-OG 2.97Å; A312-S315 PolarHBondContact O-OG 3.09Å; A312-S315 VanDerWaalsContact O-OG 3.07Å; S315-L319 WeakPolarHBondContact O-CB 3.16Å; S315-L319 PolarHBondContact O-N 3.39Å
316	I	51.9	Low	51.9	Low	108 Å²	108	96 Å²	96	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-69.6	-43.6	173.1	-70.7	168.3	0	0	0	111.2	A312 M313 K314 I318 L319 Y320	A312-I316 VanDerWaalsContact O-CD1 3.31Å; A312-I316 WeakPolarHBondContact O-CD1 3.2Å; A312-I316 WeakPolarHBondContact O-CG1 3.4Å; A312-I316 PolarHBondContact O-N 3.3Å; M313-I316 PolarHBondContact O-N 3.33Å; K314-I316 VanDerWaalsContact C-N 3.33Å; I316-I318 VanDerWaalsContact C-N 3.32Å; I316-I318 PolarHBondContact O-N 2.97Å; I316-L319 PolarHBondContact O-N 2.96Å; I316-Y320 WeakPolarHBondContact O-CB 3.22Å; I316-Y320 PolarHBondContact O-N 3.34Å
317	D	50	Low	52.8	Low	102 Å²	102	96 Å²	96	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-40	176.9	-82.5	-15	0	0	0	111.8	M313 K314 Y320 S321	M313-D317 PolarHBondContact O-N 2.95Å; K314-D317 PolarHBondContact O-N 2.94Å; D317-Y320 PolarHBondContact O-N 3.28Å; D317-S321 PolarHBondContact O-N 3.3Å
318	I	61.6	Low	54.2	Low	94 Å²	94	97 Å²	97	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-68	-42.2	175.7	-66.4	165.5	0	0	0	111.1	K314 I316 Y320 S321 Y322	K314-I318 WeakPolarHBondContact O-CD1 3.07Å; K314-I318 VanDerWaalsContact O-CG1 3.24Å; K314-I318 WeakPolarHBondContact O-CG1 3.45Å; K314-I318 PolarHBondContact O-N 3.43Å; I316-I318 VanDerWaalsContact C-N 3.32Å; I316-I318 PolarHBondContact O-N 2.97Å; I318-Y320 VanDerWaalsContact C-N 3.27Å; I318-Y320 PolarHBondContact O-N 3.49Å; I318-S321 PolarHBondContact O-N 3.05Å; I318-S321 PolarHBondContact O-OG 3.45Å; I318-Y322 HydrophobicContact CG2-CD2 3.79Å; I318-Y322 HydrophobicContact CG2-CE2 3.94Å; I318-Y322 WeakPolarHBondContact O-CD2 3.37Å; I318-Y322 PolarHBondContact O-N 2.95Å
319	L	54.2	Low	55.3	Low	126 Å²	126	96.8 Å²	96.8	66%	0.66	49%	0.494	S	S	*	.	H	α-helix	trans	-62.7	-36.6	174.9	-93.3	155.6	0	0	0	111.9	S315 I316 A323	S315-L319 WeakPolarHBondContact O-CB 3.16Å; S315-L319 PolarHBondContact O-N 3.39Å; I316-L319 PolarHBondContact O-N 2.96Å; L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.04Å
320	Y	60.1	Low	56.4	Low	150 Å²	150	97.9 Å²	97.9	59%	0.588	50%	0.499	S	S	*	.	H	α-helix	trans	-68.5	-42.2	175.9	-161	-92.8	0	0	0	111.3	I316 D317 I318 Y322 A323 E324	I316-Y320 WeakPolarHBondContact O-CB 3.22Å; I316-Y320 PolarHBondContact O-N 3.34Å; D317-Y320 PolarHBondContact O-N 3.28Å; I318-Y320 VanDerWaalsContact C-N 3.27Å; I318-Y320 PolarHBondContact O-N 3.49Å; Y320-Y322 PolarHBondContact O-N 3.14Å; Y320-A323 PolarHBondContact O-N 3.07Å; Y320-E324 HydrophobicContact CD1-CG 4.21Å; Y320-E324 HydrophobicContact CE1-CG 3.99Å; Y320-E324 WeakPolarHBondContact CE1-OE1 3.45Å; Y320-E324 PolarHBondContact O-N 3.02Å
321	S	64.1	Low	57.4	Low	59 Å²	59	101.4 Å²	101.4	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-38.8	175.9	69.9	0	0	0	0	112.7	D317 I318 E324 E325	D317-S321 PolarHBondContact O-N 3.3Å; I318-S321 PolarHBondContact O-N 3.05Å; I318-S321 PolarHBondContact O-OG 3.45Å; S321-E324 PolarHBondContact O-N 3.42Å; S321-E325 WeakPolarHBondContact O-CB 3.17Å; S321-E325 PolarHBondContact O-N 2.89Å
322	Y	60.1	Low	58.5	Low	148 Å²	148	105.6 Å²	105.6	58%	0.58	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-38	174.1	-94.9	-79	0	0	0	112.4	I318 Y320 E325 Y326	I318-Y322 HydrophobicContact CG2-CD2 3.79Å; I318-Y322 HydrophobicContact CG2-CE2 3.94Å; I318-Y322 WeakPolarHBondContact O-CD2 3.37Å; I318-Y322 PolarHBondContact O-N 2.95Å; Y320-Y322 PolarHBondContact O-N 3.14Å; Y322-E325 PolarHBondContact O-N 3.47Å; Y322-Y326 PolarHBondContact O-N 3.44Å
323	A	65.2	Low	59.1	Low	60 Å²	60	107.1 Å²	107.1	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-67.5	-39	176.5	0	0	0	0	0	112	L319 Y320 Y326 D327	L319-A323 WeakPolarHBondContact O-CB 3.35Å; L319-A323 PolarHBondContact O-N 3.04Å; Y320-A323 PolarHBondContact O-N 3.07Å; A323-Y326 PolarHBondContact O-N 3.46Å; A323-D327 PolarHBondContact O-N 3.28Å; A323-D327 VanDerWaalsContact O-N 3.1Å
324	E	72.5	Confident	59.6	Low	113 Å²	113	105.5 Å²	105.5	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-40.8	173.9	-75.5	-168.8	155.9	0	0	112.2	Y320 S321 Y326 D327 E328	Y320-E324 HydrophobicContact CD1-CG 4.21Å; Y320-E324 HydrophobicContact CE1-CG 3.99Å; Y320-E324 WeakPolarHBondContact CE1-OE1 3.45Å; Y320-E324 PolarHBondContact O-N 3.02Å; S321-E324 PolarHBondContact O-N 3.42Å; E324-Y326 VanDerWaalsContact C-N 3.35Å; E324-Y326 PolarHBondContact O-N 3.31Å; E324-D327 PolarHBondContact O-N 2.95Å; E324-E328 WeakPolarHBondContact O-CB 3.13Å; E324-E328 PolarHBondContact O-N 2.84Å
325	E	70.9	Confident	59.8	Low	115 Å²	115	108.4 Å²	108.4	54%	0.537	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-38.8	176.9	-169.4	174.3	-170.7	0	0	111.8	S321 Y322 E328 L329	S321-E325 WeakPolarHBondContact O-CB 3.17Å; S321-E325 PolarHBondContact O-N 2.89Å; Y322-E325 PolarHBondContact O-N 3.47Å; E325-E328 PolarHBondContact O-N 3.23Å; E325-L329 HydrophobicContact CG-CD1 4.11Å; E325-L329 WeakPolarHBondContact O-CB 3.4Å; E325-L329 WeakPolarHBondContact O-CG 3.26Å; E325-L329 PolarHBondContact O-N 3.35Å
326	Y	64.5	Low	59.8	Low	172 Å²	172	112.6 Å²	112.6	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-66.9	-40	175.7	-127.8	-91.3	0	0	0	112.7	Y322 A323 E324 T330	Y322-Y326 PolarHBondContact O-N 3.44Å; A323-Y326 PolarHBondContact O-N 3.46Å; E324-Y326 VanDerWaalsContact C-N 3.35Å; E324-Y326 PolarHBondContact O-N 3.31Å; Y326-T330 WeakPolarHBondContact O-CB 3.48Å; Y326-T330 PolarHBondContact O-N 2.83Å; Y326-T330 PolarHBondContact O-OG1 3.39Å
327	D	63.2	Low	59.2	Low	77 Å²	77	114.1 Å²	114.1	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-66.7	-38.8	176.6	-170.5	49.8	0	0	0	111.2	A323 E324 T330 R331	A323-D327 PolarHBondContact O-N 3.28Å; A323-D327 VanDerWaalsContact O-N 3.1Å; E324-D327 PolarHBondContact O-N 2.95Å; D327-T330 PolarHBondContact O-N 3.48Å; D327-R331 PolarHBondContact O-N 2.97Å; D327-R331 IonicContact OD1-NH2 3.77Å; D327-R331 IonicContact OD2-CZ 3.09Å; D327-R331 IonicContact OD2-NH1 2.78Å; D327-R331 PolarHBondContact OD2-NH1 3.18Å; D327-R331 IonicContact OD2-NH2 2.72Å; D327-R331 PolarHBondContact OD2-NH2 3.49Å
328	E	70.3	Confident	58.3	Low	79 Å²	79	113.1 Å²	113.1	37%	0.369	58%	0.582	S	S	.	*	H	α-helix	trans	-69.6	-41.7	176	-176.2	63.6	-168.9	0	0	112.5	E324 E325 T330 R331 R332	E324-E328 WeakPolarHBondContact O-CB 3.13Å; E324-E328 PolarHBondContact O-N 2.84Å; E325-E328 PolarHBondContact O-N 3.23Å; E328-T330 VanDerWaalsContact C-N 3.32Å; E328-T330 PolarHBondContact O-N 3.33Å; E328-R331 PolarHBondContact O-N 3.42Å; E328-R332 WeakPolarHBondContact O-CG 3.32Å; E328-R332 PolarHBondContact O-N 2.93Å; E328-R332 IonicContact OE1-CZ 3.47Å; E328-R332 IonicContact OE1-NE 2.98Å; E328-R332 PolarHBondContact OE1-NE 3.37Å; E328-R332 IonicContact OE1-NH2 3.09Å; E328-R332 PolarHBondContact OE1-NH2 2.71Å; E328-R332 VanDerWaalsContact OE1-NH2 3.09Å
329	L	63.8	Low	57	Low	100 Å²	100	115.3 Å²	115.3	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-62.6	-39.2	173.2	-79.9	162.8	0	0	0	111.7	E325 R332 S333	E325-L329 HydrophobicContact CG-CD1 4.11Å; E325-L329 WeakPolarHBondContact O-CB 3.4Å; E325-L329 WeakPolarHBondContact O-CG 3.26Å; E325-L329 PolarHBondContact O-N 3.35Å; L329-R332 PolarHBondContact O-N 2.95Å; L329-S333 WeakPolarHBondContact O-CB 3.44Å; L329-S333 PolarHBondContact O-N 2.91Å
330	T	64.6	Low	56	Low	74 Å²	74	118 Å²	118	45%	0.454	61%	0.609	S	S	.	*	H	α-helix	trans	-67.1	-39.2	176.3	-54.6	0	0	0	0	111.3	Y326 D327 E328 S334	Y326-T330 WeakPolarHBondContact O-CB 3.48Å; Y326-T330 PolarHBondContact O-N 2.83Å; Y326-T330 PolarHBondContact O-OG1 3.39Å; D327-T330 PolarHBondContact O-N 3.48Å; E328-T330 VanDerWaalsContact C-N 3.32Å; E328-T330 PolarHBondContact O-N 3.33Å; T330-S334 WeakPolarHBondContact O-CB 3.23Å; T330-S334 PolarHBondContact O-N 3.26Å; T330-S334 VanDerWaalsContact O-N 3.16Å; T330-S334 PolarHBondContact O-OG 3.46Å
331	R	63.9	Low	54.7	Low	137 Å²	137	119.6 Å²	119.6	52%	0.517	62%	0.622	S	S	.	*	H	α-helix	trans	-63.9	-44.1	172.2	-79.7	-164.6	-168.1	89	17.6	112.5	D327 E328 S334 Q335	D327-R331 PolarHBondContact O-N 2.97Å; D327-R331 IonicContact OD1-NH2 3.77Å; D327-R331 IonicContact OD2-CZ 3.09Å; D327-R331 IonicContact OD2-NH1 2.78Å; D327-R331 PolarHBondContact OD2-NH1 3.18Å; D327-R331 IonicContact OD2-NH2 2.72Å; D327-R331 PolarHBondContact OD2-NH2 3.49Å; E328-R331 PolarHBondContact O-N 3.42Å; R331-S334 PolarHBondContact O-N 2.94Å; R331-Q335 PolarHBondContact O-N 2.87Å
332	R	60.4	Low	53.2	Low	161 Å²	161	122.6 Å²	122.6	61%	0.608	64%	0.639	S	S	*	*	H	α-helix	trans	-67.5	-40.1	179.8	-72.6	-178.9	-172.9	-172.5	4.3	112.6	E328 L329 S334 Q335	E328-R332 WeakPolarHBondContact O-CG 3.32Å; E328-R332 PolarHBondContact O-N 2.93Å; E328-R332 IonicContact OE1-CZ 3.47Å; E328-R332 IonicContact OE1-NE 2.98Å; E328-R332 PolarHBondContact OE1-NE 3.37Å; E328-R332 IonicContact OE1-NH2 3.09Å; E328-R332 PolarHBondContact OE1-NH2 2.71Å; E328-R332 VanDerWaalsContact OE1-NH2 3.09Å; L329-R332 PolarHBondContact O-N 2.95Å; R332-S334 PolarHBondContact O-N 2.99Å; R332-Q335 PolarHBondContact O-N 2.82Å
333	S	52.7	Low	51.8	Low	84 Å²	84	123.5 Å²	123.5	59%	0.587	65%	0.654	S	S	*	*	H	α-helix	trans	-65.8	-27.3	175	-179.4	0	0	0	0	112.7	L329 Q335	L329-S333 WeakPolarHBondContact O-CB 3.44Å; L329-S333 PolarHBondContact O-N 2.91Å; S333-Q335 VanDerWaalsContact C-N 3.33Å
334	S	48.5	Very low	50.3	Low	94 Å²	94	126.3 Å²	126.3	66%	0.657	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-9.6	177	-55.9	0	0	0	0	113.9	T330 R331 R332	T330-S334 WeakPolarHBondContact O-CB 3.23Å; T330-S334 PolarHBondContact O-N 3.26Å; T330-S334 VanDerWaalsContact O-N 3.16Å; T330-S334 PolarHBondContact O-OG 3.46Å; R331-S334 PolarHBondContact O-N 2.94Å; R332-S334 PolarHBondContact O-N 2.99Å
335	Q	48.2	Very low	48.3	Very low	171 Å²	171	129.5 Å²	129.5	80%	0.799	68%	0.676	S	S	*	*	S	Bend	trans	-103.7	-6.2	-174.8	-135.2	169.6	-1.1	0	0	114	R331 R332 S333	R331-Q335 PolarHBondContact O-N 2.87Å; R332-Q335 PolarHBondContact O-N 2.82Å; S333-Q335 VanDerWaalsContact C-N 3.33Å
336	D	45.2	Very low	46.4	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	69%	0.69	S	S	*	*	S	Bend	trans	-108.4	4.2	-175.4	-153.7	25	0	0	0	114.5
337	N	38	Very low	44.8	Very low	140 Å²	140	132.2 Å²	132.2	75%	0.749	70%	0.695	S	S	*	*			trans	-119.5	83.3	174.5	-77.6	-42.3	0	0	0	111	V339	N337-V339 PolarHBondContact O-N 3.32Å
338	G	31.3	Very low	43.1	Very low	82 Å²	82	133.1 Å²	133.1	85%	0.845	71%	0.713	S	S	*	*			trans	-77.9	86.7	167.4	0	0	0	0	0	111.6
339	V	35.3	Very low	41.3	Very low	139 Å²	139	138.5 Å²	138.5	84%	0.842	74%	0.738	S	S	*	*			trans	-145.8	126.2	155.6	-178.6	0	0	0	0	108.7	N337	N337-V339 PolarHBondContact O-N 3.32Å
340	E	32.3	Very low	39.4	Very low	182 Å²	182	141.2 Å²	141.2	85%	0.85	75%	0.752	S	S	*	*			trans	-50	134.1	179.5	-73.6	167.9	112.5	0	0	114.5
341	Q	32.7	Very low	37.9	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	77%	0.769	S	S	*	*			trans	-161.5	141.7	135.7	-107.3	164.2	67.1	0	0	110.6	L343	Q341-L343 PolarHBondContact O-N 3.21Å
342	P	32.9	Very low	36.1	Very low	121 Å²	121	146.1 Å²	146.1	79%	0.786	79%	0.785	S	S	*	*			trans	-83.7	122.5	-154.9	31.1	-31.4	0	0	0	112.7	V344	P342-V344 PolarHBondContact O-N 2.8Å
343	L	31.5	Very low	35.2	Very low	168 Å²	168	144.6 Å²	144.6	88%	0.88	80%	0.796	S	S	*	*			trans	-73.9	115.9	173	-162.4	87.1	0	0	0	109.9	Q341 K345	Q341-L343 PolarHBondContact O-N 3.21Å; L343-K345 PolarHBondContact O-N 2.85Å
344	V	33.1	Very low	34.4	Very low	119 Å²	119	148.7 Å²	148.7	72%	0.721	81%	0.811	S	S	*	*			trans	-58.9	106.4	172.6	175.4	0	0	0	0	109.5	P342	P342-V344 PolarHBondContact O-N 2.8Å
345	K	30.3	Very low	33.7	Very low	179 Å²	179	147 Å²	147	78%	0.778	81%	0.809	S	S	*	*			trans	-73.4	118.4	159.3	-88.4	179.7	170.8	-178.3	0	108.2	L343	L343-K345 PolarHBondContact O-N 2.85Å
346	H	31.9	Very low	33	Very low	178 Å²	178	148.4 Å²	148.4	82%	0.824	81%	0.813	S	S	*	*			trans	-126.8	82.8	155.4	-109.9	-74.4	0	0	0	108.3
347	E	31.5	Very low	32.3	Very low	166 Å²	166	146.8 Å²	146.8	78%	0.776	81%	0.812	S	S	*	*			trans	-80.1	145.6	152	-90.4	175.3	108.4	0	0	108.7	Q349	E347-Q349 PolarHBondContact O-N 3.45Å
348	A	27.2	Very low	32	Very low	96 Å²	96	148.5 Å²	148.5	79%	0.793	81%	0.813	S	S	*	*			trans	-58	129.3	-179.6	0	0	0	0	0	112.3
349	Q	31.5	Very low	31.9	Very low	193 Å²	193	152.7 Å²	152.7	90%	0.902	81%	0.811	S	S	*	*			trans	-152.8	114.2	149	-114	161.2	1	0	0	109.6	E347 D351	E347-Q349 PolarHBondContact O-N 3.45Å; Q349-D351 PolarHBondContact O-N 2.89Å
350	L	25.4	Very low	31.7	Very low	156 Å²	156	151.2 Å²	151.2	82%	0.817	80%	0.801	S	S	*	*			trans	-46.8	127.3	154.3	-94.4	73	0	0	0	108.4
351	D	32.1	Very low	31.6	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	80%	0.796	S	S	*	*				-172.3	140.5	129.3	-92.9	-28.6	0	0	0	111	Q349	Q349-D351 PolarHBondContact O-N 2.89Å
352	L	27.4	Very low	31.7	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	79%	0.792	S	S	*	*			trans	-65	151.9	-170.1	-72.8	71.1	0	0	0	113.6
353	P	40.4	Very low	31.8	Very low	129 Å²	129	150.1 Å²	150.1	84%	0.838	79%	0.791	S	S	*	*			trans	-108.2	133.1	154.5	33.1	-21.2	0	0	0	112.3
354	D	36.1	Very low	31.8	Very low	170 Å²	170	149.1 Å²	149.1	91%	0.909	79%	0.786	S	S	*	*			trans	-76.2	155.4	177.1	-159.8	1.3	0	0	0	111.9
355	G	33.1	Very low	31.7	Very low	59 Å²	59	148.5 Å²	148.5	61%	0.608	79%	0.787	S	S	*	*			trans	100	86	145.8	0	0	0	0	0	121.2
356	K	33.6	Very low	31.7	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	78%	0.784	S	S	*	*			trans	86.2	120.9	131.4	-69.7	179.5	178.8	172.8	0	122.3
357	S	30.5	Very low	31.9	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	79%	0.785	S	S	*	*			trans	74.3	129.2	143.5	47.1	0	0	0	0	117.8
358	K	31.5	Very low	31.8	Very low	176 Å²	176	146.9 Å²	146.9	77%	0.765	79%	0.788	S	S	*	*			cis	-172.4	142.1	14.9	-114.6	172.4	177.8	-179.8	0	107.7
359	Q	30.6	Very low	32.1	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.794	79%	0.787	S	S	*	*			trans	66	135.5	146	-66.9	-179	-29.8	0	0	118
360	V	31	Very low	32	Very low	107 Å²	107	146.6 Å²	146.6	65%	0.648	78%	0.777	S	S	*	*			cis	-171.5	139.2	14	129.5	0	0	0	0	108.1
361	N	30.1	Very low	32.3	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	78%	0.777	S	S	*	*			trans	48.2	136.4	148	-54.5	-4.3	0	0	0	120.3
362	E	35.1	Very low	32.2	Very low	168 Å²	168	148.8 Å²	148.8	79%	0.785	78%	0.779	S	S	*	*			cis	-166.8	122.4	48.6	-125.9	157.2	-165.7	0	0	109.1
363	E	34.2	Very low	32.2	Very low	160 Å²	160	149.3 Å²	149.3	75%	0.748	78%	0.776	S	S	*	*				73.2	104	109.9	-66.8	-160.9	161.7	0	0	117.5
364	N	30.6	Very low	31.8	Very low	147 Å²	147	152.4 Å²	152.4	79%	0.786	78%	0.78	S	S	*	*				84.8	139.6	97.7	-72.9	-23.4	0	0	0	113.2
365	S	32.7	Very low	31.5	Very low	105 Å²	105	152.3 Å²	152.3	73%	0.734	77%	0.774	S	S	*	*			cis	-175.9	127.1	18	141.6	0	0	0	0	107.8
366	S	29.5	Very low	31.3	Very low	102 Å²	102	158.8 Å²	158.8	71%	0.713	79%	0.785	S	S	*	*				80	120.8	103.5	-164.5	0	0	0	0	119.7
367	K	35.6	Very low	31	Very low	198 Å²	198	156.7 Å²	156.7	86%	0.861	78%	0.783	S	S	*	*			trans	141.8	98.2	140.9	-82.5	179.5	175.7	-177.7	0	110.6
368	K	28.7	Very low	31	Very low	190 Å²	190	155.9 Å²	155.9	83%	0.826	78%	0.782	S	S	*	*				52.2	111.1	75.3	-77.7	-166.7	178.2	-177.8	0	115.3
369	D	34.2	Very low	30.9	Very low	145 Å²	145	154.4 Å²	154.4	78%	0.775	78%	0.781	S	S	*	*				168.1	98.6	129.9	-75.7	-19.2	0	0	0	108.7
370	I	30.1	Very low	30.9	Very low	137 Å²	137	153.8 Å²	153.8	70%	0.703	78%	0.783	S	S	*	*				56.5	101	96	-57.6	170.6	0	0	0	113.9
371	Q	30.4	Very low	31.1	Very low	171 Å²	171	156.2 Å²	156.2	80%	0.799	79%	0.792	S	S	*	*				158.3	139.8	105.3	-146.1	117.7	22.5	0	0	112.5
372	Q	30.9	Very low	31.1	Very low	184 Å²	184	155 Å²	155	86%	0.86	79%	0.792	S	S	*	*			trans	92.6	75.3	162	-59.1	-170.7	-6.2	0	0	120.1
373	H	27.7	Very low	30.8	Very low	172 Å²	172	156.4 Å²	156.4	80%	0.796	80%	0.795	S	S	*	*			trans	-0.1	110	131.6	-118.9	2.4	0	0	0	118.6	E375	H373-E375 IonicContact CE1-OE2 3.88Å
374	Q	30.7	Very low	30.7	Very low	194 Å²	194	156.3 Å²	156.3	91%	0.907	80%	0.798	S	S	*	*			trans	-147.7	97.5	140	-163.4	166.1	0.3	0	0	107.9	K376	Q374-K376 PolarHBondContact O-N 3.18Å
375	E	30.8	Very low	30.7	Very low	168 Å²	168	155.3 Å²	155.3	79%	0.785	80%	0.798	S	S	*	*			trans	-81.8	117.7	-174.2	-148.2	168.8	-174.8	0	0	110	H373	H373-E375 IonicContact CE1-OE2 3.88Å
376	K	27.9	Very low	30.6	Very low	195 Å²	195	158 Å²	158	85%	0.848	80%	0.802	S	S	*	*			trans	-68.6	123.1	167.6	-83.9	173.8	168.9	-179.8	0	109.2	Q374	Q374-K376 PolarHBondContact O-N 3.18Å
377	L	27.4	Very low	30.8	Very low	158 Å²	158	157.4 Å²	157.4	83%	0.827	80%	0.803	S	S	*	*			trans	-99.8	98.4	158.5	-156	80.9	0	0	0	108.2	I379	L377-I379 HydrophobicContact CD2-CD1 4.12Å; L377-I379 HydrophobicContact CD2-CG1 4.34Å
378	A	30.6	Very low	30.6	Very low	88 Å²	88	157.2 Å²	157.2	73%	0.727	81%	0.805	S	S	*	*			trans	-86.6	109.6	169.3	0	0	0	0	0	108.4
379	I	30.7	Very low	30.8	Very low	145 Å²	145	157.4 Å²	157.4	74%	0.744	81%	0.809	S	S	*	*			trans	-97.8	118.2	163.6	-64.4	173.8	0	0	0	106.4	L377 L381	L377-I379 HydrophobicContact CD2-CD1 4.12Å; L377-I379 HydrophobicContact CD2-CG1 4.34Å; I379-L381 PolarHBondContact O-N 2.86Å
380	N	30.7	Very low	30.6	Very low	157 Å²	157	158.4 Å²	158.4	84%	0.84	82%	0.815	S	S	*	*			trans	-66.7	121.7	176.6	-77.2	-75	0	0	0	109.8
381	L	33.5	Very low	30.6	Very low	159 Å²	159	160.7 Å²	160.7	83%	0.832	82%	0.822	S	S	*	*			trans	-110	133.1	168.6	-159.9	69.5	0	0	0	108.5	I379	I379-L381 PolarHBondContact O-N 2.86Å
382	P	30.9	Very low	30.7	Very low	112 Å²	112	158.7 Å²	158.7	73%	0.727	82%	0.822	S	S	*	*			trans	-69.9	136.6	-169.9	27.5	-33.8	0	0	0	112.3
383	K	28.6	Very low	30.6	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	82%	0.816	S	S	*	*			trans	-80.4	115.9	178.8	-139	178	-172.1	179.6	0	108.9
384	I	33	Very low	30.9	Very low	158 Å²	158	155 Å²	155	81%	0.81	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.7	120.5	170.3	-63.5	174.8	0	0	0	108.7
385	T	29.3	Very low	30.8	Very low	126 Å²	126	154.3 Å²	154.3	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-103.5	124.9	177.4	-43.7	0	0	0	0	107
386	I	32.4	Very low	30.8	Very low	160 Å²	160	154.8 Å²	154.8	82%	0.821	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.1	117.9	175.9	-59.4	179.4	0	0	0	108
387	A	32	Very low	31.1	Very low	90 Å²	90	150.8 Å²	150.8	74%	0.744	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-88.5	139.2	171.2	0	0	0	0	0	110.2
388	E	31.9	Very low	31.4	Very low	194 Å²	194	150.5 Å²	150.5	91%	0.907	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.1	130.5	176	-67.5	172.5	153.1	0	0	110.4
389	E	32.5	Very low	31.4	Very low	194 Å²	194	153.4 Å²	153.4	91%	0.907	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-102.7	122.6	168.1	-77.4	-172.9	161.7	0	0	110.1
390	N	30.2	Very low	31.4	Very low	167 Å²	167	154.2 Å²	154.2	89%	0.893	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85.1	129.2	166.9	-92.7	-25.2	0	0	0	109.7
391	E	30.6	Very low	31.6	Very low	185 Å²	185	154.1 Å²	154.1	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-58.8	145.2	170.9	-73.7	178.7	118.6	0	0	112.6
392	T	31.9	Very low	31.4	Very low	129 Å²	129	156.8 Å²	156.8	79%	0.791	79%	0.794	S	S	*	*				-168.6	113.1	126.2	25.5	0	0	0	0	112.8
393	N	30	Very low	31.4	Very low	137 Å²	137	158.3 Å²	158.3	73%	0.733	80%	0.795	S	S	*	*				85.1	132.4	126.9	-94.8	-42.6	0	0	0	124.6
394	I	32.9	Very low	31.8	Very low	142 Å²	142	156.6 Å²	156.6	73%	0.728	80%	0.795	S	S	*	*			trans	90.9	94.5	147.2	-58.7	152.1	0	0	0	115.4
395	K	28.5	Very low	31.9	Very low	179 Å²	179	156.3 Å²	156.3	78%	0.778	79%	0.794	S	S	*	*				66	119.9	83.3	-72.4	-172	178.9	-176.8	0	115
396	E	31.5	Very low	32.3	Very low	177 Å²	177	155.7 Å²	155.7	83%	0.827	80%	0.795	S	S	*	*				130.9	137.8	117.9	-122.3	165	-155.7	0	0	117.3
397	S	34.3	Very low	32.4	Very low	111 Å²	111	154.9 Å²	154.9	78%	0.776	79%	0.793	S	S	*	*			trans	93.2	84	155.5	-65.3	0	0	0	0	121.3
398	E	32.9	Very low	32.7	Very low	153 Å²	153	158.1 Å²	158.1	72%	0.715	79%	0.792	S	S	*	*				5.5	139.5	125.5	-77.7	-161.7	133.3	0	0	121.9
399	K	30.4	Very low	32.9	Very low	149 Å²	149	156 Å²	156	65%	0.648	78%	0.782	S	S	*	*				94.3	144	126.1	-88.8	173.9	-173.8	141.8	0	122
400	Q	32.2	Very low	33	Very low	161 Å²	161	153.8 Å²	153.8	75%	0.752	77%	0.772	S	S	*	*			trans	78	134.8	166.6	-108.5	85.1	12.8	0	0	115.1
401	L	33.4	Very low	33.1	Very low	155 Å²	155	152.7 Å²	152.7	81%	0.812	76%	0.761	S	S	*	*			cis	-169.7	154.9	18.8	-176.5	68.4	0	0	0	108.7
402	R	29.5	Very low	33.3	Very low	215 Å²	215	150.7 Å²	150.7	81%	0.811	76%	0.756	S	S	*	*			trans	-69	143.1	-179.8	-72.8	-178.4	-177.7	-178.9	0.1	114.9
403	I	32.5	Very low	33.5	Very low	145 Å²	145	150.3 Å²	150.3	74%	0.744	75%	0.754	S	S	*	*				41.5	117.7	126.5	-47.9	168.1	0	0	0	118.1
404	D	36.5	Very low	33.7	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	75%	0.753	S	S	*	*				-160.7	146.6	120.5	-125	-18.8	0	0	0	113.2
405	L	34.5	Very low	33.7	Very low	151 Å²	151	149.2 Å²	149.2	79%	0.791	75%	0.754	S	S	*	*			trans	-110.9	141.1	-170	-170.1	81.5	0	0	0	109.7
406	S	38.9	Very low	34.2	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	75%	0.749	S	S	*	*			trans	-176.9	117.7	146.1	-80	0	0	0	0	114.2
407	D	34	Very low	34.5	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	75%	0.751	S	S	*	*			trans	19.3	134.6	142.5	-63.3	-31.4	0	0	0	124.1
408	H	37.9	Very low	34.8	Very low	158 Å²	158	146.9 Å²	146.9	73%	0.731	75%	0.749	S	S	*	*				138.9	112	117.3	-104.5	-74.1	0	0	0	115.8
409	H	35.2	Very low	35	Very low	151 Å²	151	143.1 Å²	143.1	70%	0.699	75%	0.751	S	S	*	*			trans	62	113.4	135.6	-84.4	64.2	0	0	0	122.3
410	Q	34.4	Very low	35.7	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	75%	0.754	S	S	*	*				107.8	124.5	114.8	-158.3	165.4	11.7	0	0	119
411	E	32.8	Very low	35.9	Very low	144 Å²	144	139.3 Å²	139.3	67%	0.673	76%	0.757	S	S	*	*			trans	79.2	108.4	153.3	-80.4	162.1	-152.3	0	0	121.6
412	D	34.7	Very low	36.3	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	75%	0.749	S	S	*	*				83.8	133.4	129.3	-64.2	-18.8	0	0	0	122.4
413	V	37.1	Very low	36.6	Very low	122 Å²	122	134.1 Å²	134.1	74%	0.739	75%	0.751	S	S	*	*			trans	97	102.2	151.7	-162	0	0	0	0	118.1
414	N	34	Very low	37.2	Very low	135 Å²	135	133.8 Å²	133.8	72%	0.722	75%	0.746	S	S	*	*			trans	71.4	121.4	141.3	-70.3	-13.1	0	0	0	122
415	T	33	Very low	37	Very low	120 Å²	120	129.4 Å²	129.4	74%	0.736	74%	0.739	S	S	*	*			trans	62.9	102	133.3	63.8	0	0	0	0	117.3
416	S	38.8	Very low	37	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	73%	0.734	S	S	*	*				173.3	112.4	124	36	0	0	0	0	111.1
417	D	37	Very low	36.9	Very low	159 Å²	159	128.4 Å²	128.4	85%	0.85	73%	0.727	S	S	*	*			trans	24.1	102.1	134.9	-136.2	2.7	0	0	0	117.6
418	H	41.6	Very low	37.2	Very low	161 Å²	161	130.4 Å²	130.4	75%	0.745	73%	0.732	S	S	*	*			trans	-123.3	88.4	165.2	-72.9	-17.5	0	0	0	109.7	H420	H418-H420 PolarHBondContact O-N 2.96Å
419	G	37	Very low	37.2	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	73%	0.731	S	S	*	*			trans	-63.5	112.6	165.6	0	0	0	0	0	110.6	G421	G419-G421 PolarHBondContact O-N 3.02Å
420	H	43.7	Very low	37.6	Very low	151 Å²	151	126 Å²	126	70%	0.699	72%	0.717	S	S	*	*			trans	-82	102	167.1	-77.6	13.7	0	0	0	109.1	H418 H422	H418-H420 PolarHBondContact O-N 2.96Å; H420-H422 PolarHBondContact O-N 3.28Å
421	G	36.6	Very low	38.1	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	71%	0.711	S	S	*	*			trans	-74.1	96.2	168.3	0	0	0	0	0	110.4	G419 S423	G419-G421 PolarHBondContact O-N 3.02Å; G421-S423 PolarHBondContact O-N 3.32Å
422	H	42.9	Very low	39.2	Very low	140 Å²	140	119.7 Å²	119.7	65%	0.648	69%	0.694	S	S	*	*			trans	-78.9	100.8	166.5	-67.9	-70.6	0	0	0	109.3	H420 H424	H420-H422 PolarHBondContact O-N 3.28Å; H422-H424 VanDerWaalsContact C-N 3.34Å; H422-H424 PolarHBondContact O-N 3.46Å
423	S	36.5	Very low	40.2	Very low	121 Å²	121	116.7 Å²	116.7	85%	0.846	69%	0.685	S	S	*	*			trans	-68.4	90.1	165.7	169.2	0	0	0	0	109.3	G421 G425	G421-S423 PolarHBondContact O-N 3.32Å; S423-G425 PolarHBondContact O-N 3.47Å; S423-G425 VanDerWaalsContact O-N 3.17Å
424	H	44.8	Very low	41.4	Very low	138 Å²	138	112.4 Å²	112.4	64%	0.639	66%	0.659	S	S	*	*			trans	-77.9	91.4	168	-71.6	-76.7	0	0	0	109.7	H422 H426	H422-H424 VanDerWaalsContact C-N 3.34Å; H422-H424 PolarHBondContact O-N 3.46Å; H424-H426 PolarHBondContact O-N 3.31Å; H424-H426 VanDerWaalsContact O-N 3.1Å
425	G	31.1	Very low	43.1	Very low	70 Å²	70	108.4 Å²	108.4	72%	0.722	64%	0.644	S	S	*	*			trans	-72.5	91.6	162.3	0	0	0	0	0	109.2	S423 S427	S423-G425 PolarHBondContact O-N 3.47Å; S423-G425 VanDerWaalsContact O-N 3.17Å; G425-S427 PolarHBondContact O-N 3.01Å; G425-S427 VanDerWaalsContact O-N 3.17Å
426	H	35.5	Very low	44.9	Very low	148 Å²	148	103.4 Å²	103.4	69%	0.685	62%	0.615	S	S	*	*			trans	-77.7	93.4	169.6	-72.9	-72.3	0	0	0	109	H424 H428	H424-H426 PolarHBondContact O-N 3.31Å; H424-H426 VanDerWaalsContact O-N 3.1Å; H426-H428 PolarHBondContact O-N 3.2Å; H426-H428 VanDerWaalsContact O-N 3.14Å
427	S	35.5	Very low	46.4	Very low	95 Å²	95	101 Å²	101	66%	0.664	60%	0.596	S	S	*	*			trans	-65.7	106.9	158.5	48.8	0	0	0	0	107.5	G425 E429	G425-S427 PolarHBondContact O-N 3.01Å; G425-S427 VanDerWaalsContact O-N 3.17Å; S427-E429 PolarHBondContact O-N 3.21Å
428	H	39.9	Very low	48.4	Very low	184 Å²	184	93.5 Å²	93.5	85%	0.852	56%	0.556	S	S	*	*			trans	-64.6	89.1	166.1	-87.4	-84.9	0	0	0	108.2	H426 V430	H426-H428 PolarHBondContact O-N 3.2Å; H426-H428 VanDerWaalsContact O-N 3.14Å; H428-V430 PolarHBondContact O-N 3.38Å
429	E	38.8	Very low	50.3	Low	152 Å²	152	92.3 Å²	92.3	71%	0.71	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-67.7	125.7	166	-69.8	-175.7	164.2	0	0	108	S427	S427-E429 PolarHBondContact O-N 3.21Å
430	V	42.8	Very low	52.3	Low	66 Å²	66	90.7 Å²	90.7	40%	0.4	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-59.9	135.3	-179.4	179.6	0	0	0	0	108.7	H428 E432 V434 T492	H428-V430 PolarHBondContact O-N 3.38Å; V430-E432 PolarHBondContact O-N 2.98Å; V430-V434 HydrophobicContact CG1-CB 3.8Å; V430-V434 HydrophobicContact CG1-CG1 3.64Å; V430-V434 HydrophobicContact CG1-CG2 4.34Å; V430-T492 VanDerWaalsContact CG1-O 3.22Å; V430-T492 WeakPolarHBondContact CG1-O 3.49Å
431	P	46.3	Very low	54.1	Low	87 Å²	87	84.2 Å²	84.2	57%	0.565	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-54.1	125.2	178.4	-19.5	27.9	0	0	0	111.1	S433 V434	P431-S433 PolarHBondContact O-N 3.49Å; P431-V434 HydrophobicContact CB-CG2 4.05Å; P431-V434 HydrophobicContact CG-CG2 4.35Å; P431-V434 WeakPolarHBondContact O-CB 3.36Å; P431-V434 VanDerWaalsContact O-CG2 3.22Å; P431-V434 WeakPolarHBondContact O-CG2 3.27Å; P431-V434 PolarHBondContact O-N 3.13Å
432	E	54.6	Low	56.4	Low	71 Å²	71	81.3 Å²	81.3	33%	0.332	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-22.2	-168.3	-67	167.9	-146.8	0	0	115.5	V430 V434 A435 A436	V430-E432 PolarHBondContact O-N 2.98Å; E432-V434 PolarHBondContact O-N 2.97Å; E432-A435 PolarHBondContact O-N 2.97Å; E432-A435 VanDerWaalsContact O-N 3.14Å; E432-A436 PolarHBondContact O-N 3.27Å
433	S	57	Low	58.3	Low	79 Å²	79	77.3 Å²	77.3	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-57.3	-29.1	171.4	58.7	0	0	0	0	112.5	P431 V437	P431-S433 PolarHBondContact O-N 3.49Å; S433-V437 WeakPolarHBondContact O-CG2 3.39Å; S433-V437 PolarHBondContact O-N 3Å
434	V	62.1	Low	60.6	Low	32 Å²	32	72.2 Å²	72.2	19%	0.194	40%	0.404	C	S	.	.	H	α-helix	trans	-74.9	-33.6	-178.5	178.8	0	0	0	0	111.2	V430 P431 E432 V437 A438 T492	V430-V434 HydrophobicContact CG1-CB 3.8Å; V430-V434 HydrophobicContact CG1-CG1 3.64Å; V430-V434 HydrophobicContact CG1-CG2 4.34Å; P431-V434 HydrophobicContact CB-CG2 4.05Å; P431-V434 HydrophobicContact CG-CG2 4.35Å; P431-V434 WeakPolarHBondContact O-CB 3.36Å; P431-V434 VanDerWaalsContact O-CG2 3.22Å; P431-V434 WeakPolarHBondContact O-CG2 3.27Å; P431-V434 PolarHBondContact O-N 3.13Å; E432-V434 PolarHBondContact O-N 2.97Å; V434-V437 PolarHBondContact O-N 3.37Å; V434-A438 PolarHBondContact O-N 3.37Å; V434-T492 VanDerWaalsContact CG1-C 3.46Å; V434-T492 HydrophobicContact CG1-CG2 3.62Å; V434-T492 VanDerWaalsContact CG1-O 3.22Å; V434-T492 WeakPolarHBondContact CG1-O 3.29Å; V434-T492 WeakPolarHBondContact O-CG2 3.27Å
435	A	69.1	Low	62.6	Low	51 Å²	51	65.9 Å²	65.9	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-68.5	-35.7	175.3	0	0	0	0	0	112.4	E432 V437 A438 W439	E432-A435 PolarHBondContact O-N 2.97Å; E432-A435 VanDerWaalsContact O-N 3.14Å; A435-V437 VanDerWaalsContact C-N 3.33Å; A435-A438 PolarHBondContact O-N 2.85Å; A435-W439 PolarHBondContact O-N 2.88Å; A435-W439 VanDerWaalsContact O-N 3.1Å
436	A	70.5	Confident	65.3	Low	14 Å²	14	62.8 Å²	62.8	12%	0.116	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-36.6	175.1	0	0	0	0	0	112.1	E432 M440	E432-A436 PolarHBondContact O-N 3.27Å; A436-M440 PolarHBondContact O-N 3.46Å
437	V	70	Confident	67.8	Low	48 Å²	48	56.6 Å²	56.6	29%	0.291	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-46	173.3	175.2	0	0	0	0	110.5	S433 V434 A435 W439 M440 V441 V488 T492	S433-V437 WeakPolarHBondContact O-CG2 3.39Å; S433-V437 PolarHBondContact O-N 3Å; V434-V437 PolarHBondContact O-N 3.37Å; A435-V437 VanDerWaalsContact C-N 3.33Å; V437-W439 VanDerWaalsContact C-N 3.34Å; V437-W439 PolarHBondContact O-N 3.4Å; V437-M440 WeakPolarHBondContact O-CB 3.38Å; V437-M440 PolarHBondContact O-N 3.46Å; V437-M440 VanDerWaalsContact O-N 3.13Å; V437-V441 HydrophobicContact CG1-CG2 4.46Å; V437-V441 WeakPolarHBondContact O-CG2 3.31Å; V437-V441 PolarHBondContact O-N 3.3Å; V437-V488 HydrophobicContact CG1-CG1 4.08Å; V437-T492 HydrophobicContact CB-CG2 4.44Å; V437-T492 HydrophobicContact CG1-CG2 4.29Å
438	A	79.1	Confident	70.4	Confident	3 Å²	3	52.2 Å²	52.2	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-43.2	178.2	0	0	0	0	0	113.1	V434 A435 M440 V441 I442 L489 T492 M494	V434-A438 PolarHBondContact O-N 3.37Å; A435-A438 PolarHBondContact O-N 2.85Å; A438-M440 VanDerWaalsContact C-N 3.33Å; A438-M440 PolarHBondContact O-N 2.87Å; A438-V441 PolarHBondContact O-N 3.29Å; A438-I442 WeakPolarHBondContact O-CD1 3.41Å; A438-I442 WeakPolarHBondContact O-CG1 3.47Å; A438-I442 PolarHBondContact O-N 3.03Å; A438-L489 HydrophobicContact CB-CD2 3.8Å; A438-T492 HydrophobicContact CB-CG2 4.14Å; A438-M494 HydrophobicContact CB-CE 3.81Å
439	W	81.7	Confident	72.8	Confident	135 Å²	135	43.6 Å²	43.6	51%	0.511	24%	0.244	S	C	.	.	H	α-helix	trans	-66.2	-33.9	176.6	-86.8	110.5	0	0	0	113.7	A435 V437 M443 F502	A435-W439 PolarHBondContact O-N 2.88Å; A435-W439 VanDerWaalsContact O-N 3.1Å; V437-W439 VanDerWaalsContact C-N 3.34Å; V437-W439 PolarHBondContact O-N 3.4Å; W439-M443 WeakPolarHBondContact O-CB 3.43Å; W439-M443 PolarHBondContact O-N 3.29Å; W439-F502 HydrophobicContact CH2-CE1 4.15Å; W439-F502 HydrophobicContact CH2-CZ 4.23Å; W439-F502 HydrophobicContact CZ3-CE1 4.34Å
440	M	79.2	Confident	75.3	Confident	40 Å²	40	37.7 Å²	37.7	20%	0.197	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-48.7	174.3	178.5	-174.1	167.5	0	0	110.1	E223 A436 V437 A438 M443 G444	E223-M440 HydrophobicContact CG-CE 3.98Å; E223-M440 WeakPolarHBondContact OE1-CE 3.3Å; A436-M440 PolarHBondContact O-N 3.46Å; V437-M440 WeakPolarHBondContact O-CB 3.38Å; V437-M440 PolarHBondContact O-N 3.46Å; V437-M440 VanDerWaalsContact O-N 3.13Å; A438-M440 VanDerWaalsContact C-N 3.33Å; A438-M440 PolarHBondContact O-N 2.87Å; M440-M443 PolarHBondContact O-N 3.15Å; M440-G444 PolarHBondContact O-N 3.21Å
441	V	81.5	Confident	77.7	Confident	16 Å²	16	34.9 Å²	34.9	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-52.9	178.3	174.6	0	0	0	0	110.9	V437 A438 M443 G444 D445 D485 V488 L489	V437-V441 HydrophobicContact CG1-CG2 4.46Å; V437-V441 WeakPolarHBondContact O-CG2 3.31Å; V437-V441 PolarHBondContact O-N 3.3Å; A438-V441 PolarHBondContact O-N 3.29Å; V441-M443 PolarHBondContact O-N 3.05Å; V441-G444 PolarHBondContact O-N 2.83Å; V441-D445 VanDerWaalsContact O-CB 3.26Å; V441-D445 WeakPolarHBondContact O-CB 3.3Å; V441-D445 PolarHBondContact O-N 3.47Å; V441-D485 HydrophobicContact CG1-CB 3.72Å; V441-V488 HydrophobicContact CG2-CB 4.42Å; V441-V488 HydrophobicContact CG2-CG1 3.82Å; V441-L489 HydrophobicContact CB-CD2 4.37Å; V441-L489 HydrophobicContact CG1-CD2 4.33Å; V441-L489 HydrophobicContact CG1-CG 4.23Å
442	I	85.1	Confident	79.9	Confident	18 Å²	18	30.8 Å²	30.8	9%	0.092	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-37	-179.3	-71.1	161.9	0	0	0	112.7	A438 G446 L489 M494 F502	A438-I442 WeakPolarHBondContact O-CD1 3.41Å; A438-I442 WeakPolarHBondContact O-CG1 3.47Å; A438-I442 PolarHBondContact O-N 3.03Å; I442-G446 PolarHBondContact O-N 3.31Å; I442-G446 VanDerWaalsContact O-N 3.1Å; I442-L489 HydrophobicContact CD1-CD2 4.05Å; I442-L489 HydrophobicContact CG1-CD1 4.19Å; I442-L489 HydrophobicContact CG1-CD2 3.93Å; I442-M494 HydrophobicContact CD1-CE 3.84Å; I442-M494 HydrophobicContact CD1-SD 4.3Å; I442-F502 HydrophobicContact CD1-CB 3.99Å; I442-F502 HydrophobicContact CD1-CD1 4.04Å; I442-F502 HydrophobicContact CD1-CD2 3.5Å; I442-F502 HydrophobicContact CD1-CE1 4.4Å; I442-F502 HydrophobicContact CD1-CE2 3.92Å; I442-F502 HydrophobicContact CD1-CG 3.58Å; I442-F502 HydrophobicContact CD1-CZ 4.35Å; I442-F502 HydrophobicContact CG1-CB 3.95Å; I442-F502 HydrophobicContact CG1-CD2 4.4Å; I442-F502 HydrophobicContact CG1-CG 4.06Å; I442-F502 HydrophobicContact CG2-CB 3.99Å; I442-F502 HydrophobicContact CG2-CD1 3.7Å; I442-F502 HydrophobicContact CG2-CE1 4.43Å; I442-F502 HydrophobicContact CG2-CG 4Å
443	M	83.3	Confident	81.8	Confident	56 Å²	56	27.4 Å²	27.4	28%	0.276	16%	0.157	S	C	.	.	H	α-helix	trans	-81.8	-35.9	-177.9	-170.9	75.4	-169.2	0	0	112.2	I2 L226 W439 M440 V441 D445 L447	I2-M443 HydrophobicContact CD1-CE 4.14Å; L226-M443 HydrophobicContact CD1-CB 4.01Å; L226-M443 HydrophobicContact CD1-CE 4.33Å; L226-M443 HydrophobicContact CD1-CG 3.22Å; L226-M443 HydrophobicContact CD2-CB 4.48Å; L226-M443 HydrophobicContact CD2-CE 3.87Å; L226-M443 HydrophobicContact CD2-CG 3.46Å; L226-M443 VanDerWaalsContact CD2-CG 3.46Å; L226-M443 HydrophobicContact CD2-SD 4.15Å; L226-M443 HydrophobicContact CG-CG 3.87Å; W439-M443 WeakPolarHBondContact O-CB 3.43Å; W439-M443 PolarHBondContact O-N 3.29Å; M440-M443 PolarHBondContact O-N 3.15Å; V441-M443 PolarHBondContact O-N 3.05Å; M443-D445 VanDerWaalsContact C-N 3.27Å; M443-L447 HydrophobicContact CE-CG 4.44Å; M443-L447 WeakPolarHBondContact O-CG 3.43Å; M443-L447 PolarHBondContact O-N 3.11Å
444	G	83.6	Confident	83.5	Confident	14 Å²	14	24.9 Å²	24.9	14%	0.144	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-42.7	168.9	0	0	0	0	0	110.7	M440 V441 L447 H448	M440-G444 PolarHBondContact O-N 3.21Å; V441-G444 PolarHBondContact O-N 2.83Å; G444-L447 PolarHBondContact O-N 2.89Å; G444-H448 PolarHBondContact O-N 3.5Å; G444-H448 PolarHBondContact O-ND1 2.88Å
445	D	86.9	Confident	85	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.027	13%	0.127	C	C	.	.	H	α-helix	trans	-53.5	-61.2	174.6	174.5	17.8	0	0	0	111.3	V441 M443 L447 H448 N449 S506	V441-D445 VanDerWaalsContact O-CB 3.26Å; V441-D445 WeakPolarHBondContact O-CB 3.3Å; V441-D445 PolarHBondContact O-N 3.47Å; M443-D445 VanDerWaalsContact C-N 3.27Å; D445-L447 PolarHBondContact O-N 3.42Å; D445-H448 WeakPolarHBondContact CA-CE1 3.46Å; D445-H448 WeakPolarHBondContact CA-ND1 3.16Å; D445-H448 PolarHBondContact O-CE1 3.48Å; D445-H448 VanDerWaalsContact O-CE1 3.25Å; D445-H448 VanDerWaalsContact O-CG 3.25Å; D445-H448 PolarHBondContact O-N 3.5Å; D445-H448 PolarHBondContact O-ND1 3.45Å; D445-H448 IonicContact OD1-CE1 3.74Å; D445-H448 PolarHBondContact OD1-CE1 2.88Å; D445-H448 IonicContact OD1-ND1 3.36Å; D445-H448 IonicContact OD1-NE2 3.01Å; D445-H448 PolarHBondContact OD1-NE2 3.3Å; D445-N449 WeakPolarHBondContact O-CB 3.29Å; D445-N449 PolarHBondContact O-N 2.84Å; D445-N449 PolarHBondContact OD1-ND2 3.11Å; D445-S506 PolarHBondContact OD1-OG 3.35Å; D445-S506 VanDerWaalsContact OD2-CB 3.26Å; D445-S506 WeakPolarHBondContact OD2-CB 3.47Å; D445-S506 PolarHBondContact OD2-OG 3Å
446	G	89.3	Confident	86.1	Confident	4 Å²	4	20.9 Å²	20.9	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-29.8	179.4	0	0	0	0	0	115.4	I442 F450 S506 L509	I442-G446 PolarHBondContact O-N 3.31Å; I442-G446 VanDerWaalsContact O-N 3.1Å; G446-F450 WeakPolarHBondContact O-CB 3.35Å; G446-F450 PolarHBondContact O-N 2.93Å; G446-S506 VanDerWaalsContact CA-OG 3.28Å; G446-S506 WeakPolarHBondContact CA-OG 3.24Å; G446-S506 PolarHBondContact N-OG 3.33Å; G446-L509 WeakPolarHBondContact O-CD1 3.1Å
447	L	87.8	Confident	87.2	Confident	19 Å²	19	20.2 Å²	20.2	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-77	-38.7	177.5	-74.9	174.3	0	0	0	112.6	I2 F219 A222 L226 M443 G444 D445 T451	I2-L447 HydrophobicContact CD1-CD1 4.22Å; I2-L447 HydrophobicContact CG2-CD2 4.19Å; F219-L447 HydrophobicContact CE1-CB 4.17Å; F219-L447 HydrophobicContact CE2-CB 4.06Å; F219-L447 HydrophobicContact CZ-CB 3.49Å; F219-L447 VanDerWaalsContact CZ-CB 3.49Å; A222-L447 HydrophobicContact CB-CD1 4Å; L226-L447 HydrophobicContact CD1-CD1 3.77Å; M443-L447 HydrophobicContact CE-CG 4.44Å; M443-L447 WeakPolarHBondContact O-CG 3.43Å; M443-L447 PolarHBondContact O-N 3.11Å; G444-L447 PolarHBondContact O-N 2.89Å; D445-L447 PolarHBondContact O-N 3.42Å; L447-T451 PolarHBondContact O-N 3.3Å; L447-T451 PolarHBondContact O-OG1 3.49Å
448	H	89	Confident	88.2	Confident	3 Å²	3	18 Å²	18	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-44.1	177	76.6	-110.4	0	0	0	109.7	G444 D445 F450 T451 D452 E478 H481 D485 I541	G444-H448 PolarHBondContact O-N 3.5Å; G444-H448 PolarHBondContact O-ND1 2.88Å; D445-H448 WeakPolarHBondContact CA-CE1 3.46Å; D445-H448 WeakPolarHBondContact CA-ND1 3.16Å; D445-H448 PolarHBondContact O-CE1 3.48Å; D445-H448 VanDerWaalsContact O-CE1 3.25Å; D445-H448 VanDerWaalsContact O-CG 3.25Å; D445-H448 PolarHBondContact O-N 3.5Å; D445-H448 PolarHBondContact O-ND1 3.45Å; D445-H448 IonicContact OD1-CE1 3.74Å; D445-H448 PolarHBondContact OD1-CE1 2.88Å; D445-H448 IonicContact OD1-ND1 3.36Å; D445-H448 IonicContact OD1-NE2 3.01Å; D445-H448 PolarHBondContact OD1-NE2 3.3Å; H448-F450 PolarHBondContact O-N 3.12Å; H448-T451 WeakPolarHBondContact CA-OG1 3.37Å; H448-T451 CarbonylContact O-C 3.6Å; H448-T451 WeakPolarHBondContact O-CA 3.37Å; H448-T451 PolarHBondContact O-N 3.06Å; H448-T451 PolarHBondContact O-OG1 3.13Å; H448-D452 IonicContact CD2-OD2 3.24Å; H448-D452 PolarHBondContact O-N 3.4Å; H448-D452 VanDerWaalsContact O-OD1 3.05Å; H448-E478 IonicContact CD2-OE2 3.91Å; H448-E478 IonicContact NE2-OE1 3.92Å; H448-E478 PolarHBondContact NE2-OE1 3.21Å; H448-E478 IonicContact NE2-OE2 3.1Å; H448-E478 PolarHBondContact NE2-OE2 2.94Å; H448-H481 AromaticContact CE1-CE1 3.2Å; H448-H481 PolarHBondContact CE1-CE1 3.21Å; H448-H481 AromaticContact CE1-ND1 3.25Å; H448-H481 PolarHBondContact CE1-ND1 3.39Å; H448-H481 VanDerWaalsContact CE1-ND1 3.25Å; H448-H481 AromaticContact ND1-CE1 3.34Å; H448-H481 PolarHBondContact ND1-CE1 2.96Å; H448-H481 VanDerWaalsContact ND1-CE1 3.34Å; H448-H481 AromaticContact ND1-ND1 3.84Å; H448-H481 AromaticContact NE2-ND1 3.76Å; H448-D485 IonicContact CE1-OD2 2.73Å; H448-I541 HydrophobicContact CB-CD1 3.39Å; H448-I541 HydrophobicContact CB-CG1 4.41Å
449	N	91.1	Very high	88.7	Confident	3 Å²	3	17.9 Å²	17.9	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-58.5	-37.9	178.9	-108.3	-59.3	0	0	0	111.2	D445 D452 G453 E478 S506 C510	D445-N449 WeakPolarHBondContact O-CB 3.29Å; D445-N449 PolarHBondContact O-N 2.84Å; D445-N449 PolarHBondContact OD1-ND2 3.11Å; N449-D452 PolarHBondContact O-N 2.84Å; N449-G453 PolarHBondContact O-N 3.45Å; N449-E478 PolarHBondContact ND2-OE1 2.93Å; N449-E478 PolarHBondContact OD1-OE1 3.31Å; N449-S506 WeakPolarHBondContact CB-OG 3.37Å; N449-S506 PolarHBondContact ND2-OG 3.35Å; N449-C510 HydrophobicContact CB-CB 4.17Å; N449-C510 WeakPolarHBondContact O-CA 3.39Å; N449-C510 VanDerWaalsContact O-CB 3.23Å; N449-C510 WeakPolarHBondContact O-CB 3.47Å; N449-C510 PolarHBondContact O-SG 2.95Å
450	F	92.2	Very high	89.1	Confident	27 Å²	27	11.4 Å²	11.4	12%	0.118	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-44.1	170.7	172.9	-102.5	0	0	0	113.4	T6 G446 H448 D452 M454 L509 F512 G513 V516	T6-F450 HydrophobicContact CG2-CZ 4.45Å; G446-F450 WeakPolarHBondContact O-CB 3.35Å; G446-F450 PolarHBondContact O-N 2.93Å; H448-F450 PolarHBondContact O-N 3.12Å; F450-D452 VanDerWaalsContact C-N 3.34Å; F450-M454 HydrophobicContact CD1-CE 4.1Å; F450-M454 HydrophobicContact CE1-CE 3.25Å; F450-M454 HydrophobicContact CE2-CE 4.47Å; F450-M454 HydrophobicContact CZ-CE 3.48Å; F450-M454 VanDerWaalsContact CZ-CE 3.48Å; F450-M454 PolarHBondContact O-N 3.35Å; F450-L509 HydrophobicContact CB-CB 4.32Å; F450-F512 AromaticContact CD2-CD1 3.89Å; F450-F512 HydrophobicContact CD2-CD1 3.89Å; F450-F512 AromaticContact CE2-CD1 3.46Å; F450-F512 HydrophobicContact CE2-CD1 3.46Å; F450-F512 VanDerWaalsContact CE2-CD1 3.46Å; F450-F512 AromaticContact CE2-CE1 3.87Å; F450-F512 HydrophobicContact CE2-CE1 3.87Å; F450-F512 HydrophobicContact CE2-CG 4.5Å; F450-G513 VanDerWaalsContact CD2-CA 3.44Å; F450-G513 VanDerWaalsContact CE2-CA 3.48Å; F450-G513 WeakPolarHBondContact O-CA 3.42Å; F450-V516 HydrophobicContact CE2-CG2 4.46Å
451	T	92	Very high	89.5	Confident	7 Å²	7	10.9 Å²	10.9	4%	0.043	6%	0.064	C	C	.	.	H	α-helix	trans	-68.6	-32.9	178.3	51.9	0	0	0	0	112.9	F219 L447 H448 M454 A455 T537	F219-T451 HydrophobicContact CE2-CG2 4.1Å; L447-T451 PolarHBondContact O-N 3.3Å; L447-T451 PolarHBondContact O-OG1 3.49Å; H448-T451 WeakPolarHBondContact CA-OG1 3.37Å; H448-T451 CarbonylContact O-C 3.6Å; H448-T451 WeakPolarHBondContact O-CA 3.37Å; H448-T451 PolarHBondContact O-N 3.06Å; H448-T451 PolarHBondContact O-OG1 3.13Å; T451-M454 WeakPolarHBondContact O-CB 3.48Å; T451-M454 PolarHBondContact O-N 3.49Å; T451-A455 PolarHBondContact O-N 3.25Å; T451-T537 HydrophobicContact CG2-CG2 4.2Å
452	D	93	Very high	89.4	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-50.9	174.5	-67.5	8.1	0	0	0	110.5	H448 N449 F450 M454 A455 I456 V474 H477 F538	H448-D452 IonicContact CD2-OD2 3.24Å; H448-D452 PolarHBondContact O-N 3.4Å; H448-D452 VanDerWaalsContact O-OD1 3.05Å; N449-D452 PolarHBondContact O-N 2.84Å; F450-D452 VanDerWaalsContact C-N 3.34Å; D452-M454 PolarHBondContact O-N 3.25Å; D452-A455 PolarHBondContact O-N 3.47Å; D452-A455 VanDerWaalsContact O-N 3.15Å; D452-I456 WeakPolarHBondContact O-CB 3.45Å; D452-I456 VanDerWaalsContact O-CG1 3.31Å; D452-I456 WeakPolarHBondContact O-CG1 3.5Å; D452-I456 PolarHBondContact O-N 2.92Å; D452-V474 HydrophobicContact CB-CG1 3.88Å; D452-V474 HydrophobicContact CB-CG2 4.39Å; D452-V474 WeakPolarHBondContact OD2-CG1 3.22Å; D452-H477 IonicContact OD2-NE2 3.18Å; D452-F538 WeakPolarHBondContact OD1-CE1 3.46Å; D452-F538 WeakPolarHBondContact OD1-CZ 3.01Å
453	G	94.4	Very high	89.3	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-43.6	174.5	0	0	0	0	0	111.6	N449 I456 G457 C510 M514	N449-G453 PolarHBondContact O-N 3.45Å; G453-I456 PolarHBondContact O-N 2.96Å; G453-G457 PolarHBondContact O-N 3.04Å; G453-C510 WeakPolarHBondContact CA-O 3.23Å; G453-M514 VanDerWaalsContact C-N 3.27Å; G453-M514 WeakPolarHBondContact O-CA 3.34Å; G453-M514 PolarHBondContact O-N 3.11Å
454	M	92.9	Very high	89.4	Confident	25 Å²	25	13.5 Å²	13.5	12%	0.123	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-44.7	178	-166.6	-171.8	-50.8	0	0	112.7	F450 T451 D452 G457 A458 G513 V516 G517 I530	F450-M454 HydrophobicContact CD1-CE 4.1Å; F450-M454 HydrophobicContact CE1-CE 3.25Å; F450-M454 HydrophobicContact CE2-CE 4.47Å; F450-M454 HydrophobicContact CZ-CE 3.48Å; F450-M454 VanDerWaalsContact CZ-CE 3.48Å; F450-M454 PolarHBondContact O-N 3.35Å; T451-M454 WeakPolarHBondContact O-CB 3.48Å; T451-M454 PolarHBondContact O-N 3.49Å; D452-M454 PolarHBondContact O-N 3.25Å; M454-G457 PolarHBondContact O-N 2.86Å; M454-A458 WeakPolarHBondContact O-CB 3.49Å; M454-A458 PolarHBondContact O-N 3.12Å; M454-G513 VanDerWaalsContact CA-O 3.24Å; M454-G513 WeakPolarHBondContact CA-O 3.21Å; M454-G513 VanDerWaalsContact N-C 3.32Å; M454-G513 PolarHBondContact N-O 3.34Å; M454-V516 HydrophobicContact CE-CG1 4.49Å; M454-G517 WeakPolarHBondContact O-CA 3.36Å; M454-I530 HydrophobicContact CG-CD1 4.46Å; M454-I530 HydrophobicContact CG-CG2 3.75Å; M454-I530 HydrophobicContact SD-CG1 4.35Å; M454-I530 HydrophobicContact SD-CG2 3.91Å
455	A	92.8	Very high	89.4	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.7	-45.6	177.4	0	0	0	0	0	112	T451 D452 G457 A458 A459 T470 T534	T451-A455 PolarHBondContact O-N 3.25Å; D452-A455 PolarHBondContact O-N 3.47Å; D452-A455 VanDerWaalsContact O-N 3.15Å; A455-G457 VanDerWaalsContact C-N 3.31Å; A455-G457 PolarHBondContact O-N 2.92Å; A455-A458 PolarHBondContact O-N 3.2Å; A455-A459 VanDerWaalsContact O-CB 3.3Å; A455-A459 WeakPolarHBondContact O-CB 3.46Å; A455-A459 PolarHBondContact O-N 2.91Å; A455-T470 HydrophobicContact CB-CG2 4.39Å; A455-T534 HydrophobicContact CB-CG2 3.87Å
456	I	93.4	Very high	89.1	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.7	-47.7	174.7	-69.6	168.7	0	0	0	110.2	I131 I134 D452 G453 A459 F460 T470 V474	I131-I456 HydrophobicContact CG1-CD1 4.44Å; I131-I456 HydrophobicContact CG1-CG2 4.41Å; I134-I456 HydrophobicContact CD1-CD1 3.61Å; D452-I456 WeakPolarHBondContact O-CB 3.45Å; D452-I456 VanDerWaalsContact O-CG1 3.31Å; D452-I456 WeakPolarHBondContact O-CG1 3.5Å; D452-I456 PolarHBondContact O-N 2.92Å; G453-I456 PolarHBondContact O-N 2.96Å; I456-A459 PolarHBondContact O-N 2.84Å; I456-F460 HydrophobicContact CG2-CD2 3.61Å; I456-F460 HydrophobicContact CG2-CE2 3.7Å; I456-F460 VanDerWaalsContact O-CD2 3.29Å; I456-F460 WeakPolarHBondContact O-CD2 3.35Å; I456-F460 PolarHBondContact O-N 2.74Å; I456-T470 HydrophobicContact CG1-CG2 4.32Å; I456-V474 HydrophobicContact CD1-CB 4.15Å; I456-V474 HydrophobicContact CD1-CG1 4.06Å; I456-V474 HydrophobicContact CD1-CG2 4.12Å; I456-V474 HydrophobicContact CG1-CG2 4.09Å
457	G	92.7	Very high	89.1	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-44.4	178.9	0	0	0	0	0	113	G453 M454 A455 A461 I518	G453-G457 PolarHBondContact O-N 3.04Å; M454-G457 PolarHBondContact O-N 2.86Å; A455-G457 VanDerWaalsContact C-N 3.31Å; A455-G457 PolarHBondContact O-N 2.92Å; G457-A461 WeakPolarHBondContact O-CB 3.23Å; G457-A461 PolarHBondContact O-N 2.92Å; G457-I518 WeakPolarHBondContact O-CG1 3.45Å
458	A	90.5	Very high	89.1	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.2	-37.6	178	0	0	0	0	0	112.6	M454 A455 A461 Q462 S527 I530 F531	M454-A458 WeakPolarHBondContact O-CB 3.49Å; M454-A458 PolarHBondContact O-N 3.12Å; A455-A458 PolarHBondContact O-N 3.2Å; A458-A461 PolarHBondContact O-N 2.61Å; A458-Q462 PolarHBondContact O-N 3.27Å; A458-S527 PolarHBondContact O-OG 3.07Å; A458-I530 HydrophobicContact CB-CB 4.21Å; A458-I530 HydrophobicContact CB-CD1 3.86Å; A458-I530 HydrophobicContact CB-CG2 3.9Å; A458-F531 HydrophobicContact CB-CE1 4.07Å
459	A	89.9	Confident	88.9	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-46.4	177.5	0	0	0	0	0	112.2	A455 I456 A461 Q462 S463 T470 F531	A455-A459 VanDerWaalsContact O-CB 3.3Å; A455-A459 WeakPolarHBondContact O-CB 3.46Å; A455-A459 PolarHBondContact O-N 2.91Å; I456-A459 PolarHBondContact O-N 2.84Å; A459-A461 VanDerWaalsContact C-N 3.26Å; A459-A461 PolarHBondContact O-N 3.5Å; A459-Q462 PolarHBondContact O-N 3.18Å; A459-Q462 VanDerWaalsContact O-N 3.13Å; A459-S463 PolarHBondContact O-N 3.29Å; A459-T470 HydrophobicContact CB-CG2 4.14Å; A459-T470 VanDerWaalsContact CB-OG1 3.28Å; A459-T470 WeakPolarHBondContact CB-OG1 3.01Å; A459-F531 HydrophobicContact CB-CE1 4.02Å; A459-F531 HydrophobicContact CB-CZ 3.76Å
460	F	90.9	Very high	88.8	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.6	-31.9	174.5	-86.5	-63.2	0	0	0	112.8	V123 A126 S130 I456 Q462 G467 L468 S471	V123-F460 HydrophobicContact CG1-CB 3.97Å; V123-F460 WeakPolarHBondContact CG1-O 3.46Å; V123-F460 WeakPolarHBondContact CG2-O 3.49Å; A126-F460 HydrophobicContact CB-CD1 3.96Å; A126-F460 HydrophobicContact CB-CE1 3.56Å; A126-F460 HydrophobicContact CB-CZ 4.11Å; S130-F460 WeakPolarHBondContact OG-CE2 3.26Å; S130-F460 VanDerWaalsContact OG-CZ 3.25Å; S130-F460 WeakPolarHBondContact OG-CZ 3.24Å; I456-F460 HydrophobicContact CG2-CD2 3.61Å; I456-F460 HydrophobicContact CG2-CE2 3.7Å; I456-F460 VanDerWaalsContact O-CD2 3.29Å; I456-F460 WeakPolarHBondContact O-CD2 3.35Å; I456-F460 PolarHBondContact O-N 2.74Å; F460-Q462 VanDerWaalsContact C-N 3.3Å; F460-Q462 PolarHBondContact O-N 3.16Å; F460-G467 WeakPolarHBondContact CE2-O 3.39Å; F460-L468 HydrophobicContact CE1-CD2 4.35Å; F460-L468 HydrophobicContact CE1-CG 4.09Å; F460-L468 HydrophobicContact CZ-CD2 4.07Å; F460-L468 HydrophobicContact CZ-CG 4.2Å; F460-S471 VanDerWaalsContact CE2-OG 3.25Å; F460-S471 WeakPolarHBondContact CE2-OG 3.29Å
461	A	86.6	Confident	88.8	Confident	28 Å²	28	13.9 Å²	13.9	23%	0.231	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-33.2	174.7	0	0	0	0	0	112.5	G457 A458 A459	G457-A461 WeakPolarHBondContact O-CB 3.23Å; G457-A461 PolarHBondContact O-N 2.92Å; A458-A461 PolarHBondContact O-N 2.61Å; A459-A461 VanDerWaalsContact C-N 3.26Å; A459-A461 PolarHBondContact O-N 3.5Å
462	Q	80.7	Confident	88.5	Confident	54 Å²	54	17.2 Å²	17.2	25%	0.252	10%	0.1	S	C	.	.	H	α-helix	trans	-77.2	-53.5	173.9	-71	-174	-24.4	0	0	112.3	A458 A459 F460 E524	A458-Q462 PolarHBondContact O-N 3.27Å; A459-Q462 PolarHBondContact O-N 3.18Å; A459-Q462 VanDerWaalsContact O-N 3.13Å; F460-Q462 VanDerWaalsContact C-N 3.3Å; F460-Q462 PolarHBondContact O-N 3.16Å; Q462-E524 HydrophobicContact CG-CG 4.5Å; Q462-E524 PolarHBondContact NE2-O 3.39Å
463	S	82.2	Confident	88.2	Confident	37 Å²	37	17.1 Å²	17.1	26%	0.259	10%	0.1	S	C	.	.			trans	-156.6	151.1	-179.1	68	0	0	0	0	112.3	A459 G466 G467	A459-S463 PolarHBondContact O-N 3.29Å; S463-G466 WeakPolarHBondContact OG-CA 3.17Å; S463-G466 PolarHBondContact OG-N 3.07Å; S463-G467 PolarHBondContact O-N 3.18Å
464	I	85.7	Confident	88	Confident	55 Å²	55	17.1 Å²	17.1	28%	0.282	10%	0.1	S	C	.	.	H	α-helix	trans	-65.8	-44.2	177.6	-63.3	176.1	0	0	0	110.3	K122 G467 L468 V593	K122-I464 HydrophobicContact CB-CD1 4.12Å; K122-I464 HydrophobicContact CD-CD1 4.37Å; I464-G467 PolarHBondContact O-N 3.25Å; I464-L468 HydrophobicContact CG2-CD1 4.11Å; I464-L468 HydrophobicContact CG2-CG 4.48Å; I464-L468 WeakPolarHBondContact O-CG 3.49Å; I464-L468 PolarHBondContact O-N 2.92Å; I464-V593 HydrophobicContact CG2-CG1 4.49Å
465	S	82.9	Confident	87.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-43.1	178.8	-175.9	0	0	0	0	112.8	G467 L468 S469 R590	S465-G467 VanDerWaalsContact C-N 3.33Å; S465-G467 PolarHBondContact O-N 3.24Å; S465-L468 PolarHBondContact O-N 3.1Å; S465-S469 WeakPolarHBondContact O-CB 3.37Å; S465-S469 PolarHBondContact O-N 3.41Å; S465-R590 WeakPolarHBondContact OG-CA 3.43Å; S465-R590 VanDerWaalsContact OG-CG 3.26Å; S465-R590 WeakPolarHBondContact OG-CG 3.33Å; S465-R590 PolarHBondContact OG-N 3.21Å
466	G	82.1	Confident	87.4	Confident	5 Å²	5	20.4 Å²	20.4	5%	0.052	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-40	176	0	0	0	0	0	111.9	S463 S469 T470	S463-G466 WeakPolarHBondContact OG-CA 3.17Å; S463-G466 PolarHBondContact OG-N 3.07Å; G466-S469 PolarHBondContact O-N 3.36Å; G466-T470 WeakPolarHBondContact O-CB 2.98Å; G466-T470 PolarHBondContact O-N 3.14Å; G466-T470 PolarHBondContact O-OG1 2.97Å
467	G	89.2	Confident	87.2	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-41.6	172.6	0	0	0	0	0	113.8	F460 S463 I464 S465 S471	F460-G467 WeakPolarHBondContact CE2-O 3.39Å; S463-G467 PolarHBondContact O-N 3.18Å; I464-G467 PolarHBondContact O-N 3.25Å; S465-G467 VanDerWaalsContact C-N 3.33Å; S465-G467 PolarHBondContact O-N 3.24Å; G467-S471 WeakPolarHBondContact O-CB 3.39Å; G467-S471 PolarHBondContact O-N 3.26Å; G467-S471 PolarHBondContact O-OG 3.42Å
468	L	87.5	Confident	86.9	Confident	63 Å²	63	20.7 Å²	20.7	33%	0.33	12%	0.118	S	C	.	.	H	α-helix	trans	-66.2	-44.2	174.6	-74.4	172	0	0	0	111.9	F460 I464 S465 T470 S471 V472 V593	F460-L468 HydrophobicContact CE1-CD2 4.35Å; F460-L468 HydrophobicContact CE1-CG 4.09Å; F460-L468 HydrophobicContact CZ-CD2 4.07Å; F460-L468 HydrophobicContact CZ-CG 4.2Å; I464-L468 HydrophobicContact CG2-CD1 4.11Å; I464-L468 HydrophobicContact CG2-CG 4.48Å; I464-L468 WeakPolarHBondContact O-CG 3.49Å; I464-L468 PolarHBondContact O-N 2.92Å; S465-L468 PolarHBondContact O-N 3.1Å; L468-T470 PolarHBondContact O-N 3.49Å; L468-S471 PolarHBondContact O-N 3.25Å; L468-V472 WeakPolarHBondContact O-CG2 3.35Å; L468-V472 PolarHBondContact O-N 3.06Å; L468-V593 HydrophobicContact CD1-CG1 3.89Å; L468-V593 HydrophobicContact CD1-CG2 4.39Å
469	S	84.9	Confident	86.6	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-50.1	175.2	-172.1	0	0	0	0	111	S465 G466 S471 V472 A473	S465-S469 WeakPolarHBondContact O-CB 3.37Å; S465-S469 PolarHBondContact O-N 3.41Å; G466-S469 PolarHBondContact O-N 3.36Å; S469-S471 VanDerWaalsContact C-N 3.32Å; S469-S471 PolarHBondContact O-N 3.27Å; S469-V472 PolarHBondContact O-N 2.84Å; S469-A473 PolarHBondContact O-N 2.94Å
470	T	88.4	Confident	86	Confident	5 Å²	5	23.5 Å²	23.5	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-40.2	177.2	-54.4	0	0	0	0	111.9	A455 I456 A459 G466 L468 V472 A473 V474	A455-T470 HydrophobicContact CB-CG2 4.39Å; I456-T470 HydrophobicContact CG1-CG2 4.32Å; A459-T470 HydrophobicContact CB-CG2 4.14Å; A459-T470 VanDerWaalsContact CB-OG1 3.28Å; A459-T470 WeakPolarHBondContact CB-OG1 3.01Å; G466-T470 WeakPolarHBondContact O-CB 2.98Å; G466-T470 PolarHBondContact O-N 3.14Å; G466-T470 PolarHBondContact O-OG1 2.97Å; L468-T470 PolarHBondContact O-N 3.49Å; T470-V472 PolarHBondContact O-N 2.8Å; T470-A473 PolarHBondContact O-N 3.17Å; T470-V474 WeakPolarHBondContact O-CG2 3.28Å; T470-V474 PolarHBondContact O-N 3.42Å
471	S	91.1	Very high	85.7	Confident	8 Å²	8	23.6 Å²	23.6	6%	0.056	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-38.1	177.6	-59.3	0	0	0	0	112.5	S130 F460 G467 L468 S469 F475	S130-S471 WeakPolarHBondContact CB-OG 3.23Å; F460-S471 VanDerWaalsContact CE2-OG 3.25Å; F460-S471 WeakPolarHBondContact CE2-OG 3.29Å; G467-S471 WeakPolarHBondContact O-CB 3.39Å; G467-S471 PolarHBondContact O-N 3.26Å; G467-S471 PolarHBondContact O-OG 3.42Å; L468-S471 PolarHBondContact O-N 3.25Å; S469-S471 VanDerWaalsContact C-N 3.32Å; S469-S471 PolarHBondContact O-N 3.27Å; S471-F475 WeakPolarHBondContact O-CB 3.27Å; S471-F475 PolarHBondContact O-N 3.27Å
472	V	86.6	Confident	85.7	Confident	76 Å²	76	22.7 Å²	22.7	46%	0.461	12%	0.124	S	C	.	.	H	α-helix	trans	-69.4	-38.8	175	174	0	0	0	0	110.9	L468 S469 T470 F475 C476 I582	L468-V472 WeakPolarHBondContact O-CG2 3.35Å; L468-V472 PolarHBondContact O-N 3.06Å; S469-V472 PolarHBondContact O-N 2.84Å; T470-V472 PolarHBondContact O-N 2.8Å; V472-F475 WeakPolarHBondContact O-CB 3.48Å; V472-F475 PolarHBondContact O-N 3.27Å; V472-C476 PolarHBondContact O-N 2.79Å; V472-C476 VanDerWaalsContact O-N 3.12Å; V472-C476 PolarHBondContact O-SG 3.23Å; V472-C476 VanDerWaalsContact O-SG 3.35Å; V472-I582 HydrophobicContact CG1-CD1 4.11Å
473	A	87.2	Confident	85.6	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-53	173.8	0	0	0	0	0	111	S469 T470 F475 C476 H477 M579	S469-A473 PolarHBondContact O-N 2.94Å; T470-A473 PolarHBondContact O-N 3.17Å; A473-F475 VanDerWaalsContact C-N 3.34Å; A473-F475 PolarHBondContact O-N 3.13Å; A473-C476 WeakPolarHBondContact O-CB 3.45Å; A473-C476 PolarHBondContact O-N 3.41Å; A473-C476 VanDerWaalsContact O-N 3.07Å; A473-H477 PolarHBondContact O-N 3.09Å; A473-H477 PolarHBondContact O-ND1 2.99Å; A473-M579 HydrophobicContact CB-CE 4.02Å; A473-M579 HydrophobicContact CB-SD 3.98Å; A473-M579 WeakPolarHBondContact O-CE 2.97Å
474	V	90.3	Very high	85.4	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-55.2	-49.6	175.8	170.9	0	0	0	0	111.2	I134 D452 I456 T470 C476 H477 E478	I134-V474 HydrophobicContact CD1-CB 4.41Å; I134-V474 HydrophobicContact CD1-CG1 4.16Å; I134-V474 HydrophobicContact CG2-CG1 4.4Å; D452-V474 HydrophobicContact CB-CG1 3.88Å; D452-V474 HydrophobicContact CB-CG2 4.39Å; D452-V474 WeakPolarHBondContact OD2-CG1 3.22Å; I456-V474 HydrophobicContact CD1-CB 4.15Å; I456-V474 HydrophobicContact CD1-CG1 4.06Å; I456-V474 HydrophobicContact CD1-CG2 4.12Å; I456-V474 HydrophobicContact CG1-CG2 4.09Å; T470-V474 WeakPolarHBondContact O-CG2 3.28Å; T470-V474 PolarHBondContact O-N 3.42Å; V474-C476 PolarHBondContact O-N 3.44Å; V474-C476 VanDerWaalsContact O-N 3.11Å; V474-H477 VanDerWaalsContact CA-CE1 3.49Å; V474-H477 WeakPolarHBondContact CA-CE1 3.35Å; V474-H477 PolarHBondContact O-CD2 3.46Å; V474-H477 PolarHBondContact O-N 3.47Å; V474-E478 HydrophobicContact CG1-CB 4.43Å; V474-E478 VanDerWaalsContact O-CB 3.27Å; V474-E478 WeakPolarHBondContact O-CB 3.44Å; V474-E478 PolarHBondContact O-N 3.07Å
475	F	88.7	Confident	85.1	Confident	68 Å²	68	16.7 Å²	16.7	30%	0.298	9%	0.092	S	C	.	.	H	α-helix	trans	-50	-41.1	176.7	172.2	-95.6	0	0	0	113.6	I134 V137 S471 V472 A473 H477 L479	I134-F475 HydrophobicContact CG1-CB 4.14Å; I134-F475 HydrophobicContact CG1-CD2 4.46Å; V137-F475 HydrophobicContact CB-CD2 4.48Å; V137-F475 HydrophobicContact CB-CE2 3.69Å; V137-F475 HydrophobicContact CG1-CE2 3.51Å; V137-F475 HydrophobicContact CG1-CZ 3.97Å; V137-F475 HydrophobicContact CG2-CE2 3.84Å; S471-F475 WeakPolarHBondContact O-CB 3.27Å; S471-F475 PolarHBondContact O-N 3.27Å; V472-F475 WeakPolarHBondContact O-CB 3.48Å; V472-F475 PolarHBondContact O-N 3.27Å; A473-F475 VanDerWaalsContact C-N 3.34Å; A473-F475 PolarHBondContact O-N 3.13Å; F475-H477 VanDerWaalsContact C-N 3.34Å; F475-H477 PolarHBondContact O-N 2.87Å; F475-L479 HydrophobicContact CZ-CD1 4.49Å; F475-L479 PolarHBondContact O-N 2.91Å
476	C	84.8	Confident	85.1	Confident	26 Å²	26	17 Å²	17	18%	0.176	9%	0.093	C	C	.	.	H	α-helix	trans	-70.5	-24.3	-177.4	-77.1	0	0	0	0	114.1	T167 V472 A473 V474 P480 I578 M579	T167-C476 HydrophobicContact CG2-CB 4.23Å; T167-C476 PolarHBondContact OG1-O 3.16Å; V472-C476 PolarHBondContact O-N 2.79Å; V472-C476 VanDerWaalsContact O-N 3.12Å; V472-C476 PolarHBondContact O-SG 3.23Å; V472-C476 VanDerWaalsContact O-SG 3.35Å; A473-C476 WeakPolarHBondContact O-CB 3.45Å; A473-C476 PolarHBondContact O-N 3.41Å; A473-C476 VanDerWaalsContact O-N 3.07Å; V474-C476 PolarHBondContact O-N 3.44Å; V474-C476 VanDerWaalsContact O-N 3.11Å; C476-P480 WeakPolarHBondContact O-CD 3.46Å; C476-P480 WeakPolarHBondContact O-CG 3.43Å; C476-I578 HydrophobicContact CB-CG2 4.29Å; C476-M579 HydrophobicContact CB-CE 3.98Å
477	H	87.8	Confident	84.8	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-100.4	-25.2	173.4	64.8	-118.7	0	0	0	113.6	T167 L168 D171 D452 A473 V474 F475 P480 H481 F538	T167-H477 VanDerWaalsContact OG1-CA 3.28Å; T167-H477 WeakPolarHBondContact OG1-CA 3.14Å; T167-H477 WeakPolarHBondContact OG1-CB 3.26Å; L168-H477 HydrophobicContact CB-CB 3.91Å; L168-H477 HydrophobicContact CD1-CB 4.34Å; L168-H477 HydrophobicContact CG-CB 4.25Å; D171-H477 IonicContact OD2-CE1 3.73Å; D171-H477 PolarHBondContact OD2-CE1 3.33Å; D171-H477 VanDerWaalsContact OD2-CE1 3.23Å; D171-H477 IonicContact OD2-ND1 3.23Å; D452-H477 IonicContact OD2-NE2 3.18Å; A473-H477 PolarHBondContact O-N 3.09Å; A473-H477 PolarHBondContact O-ND1 2.99Å; V474-H477 VanDerWaalsContact CA-CE1 3.49Å; V474-H477 WeakPolarHBondContact CA-CE1 3.35Å; V474-H477 PolarHBondContact O-CD2 3.46Å; V474-H477 PolarHBondContact O-N 3.47Å; F475-H477 VanDerWaalsContact C-N 3.34Å; F475-H477 PolarHBondContact O-N 2.87Å; H477-P480 WeakPolarHBondContact O-CD 3.39Å; H477-H481 WeakPolarHBondContact O-CB 3.47Å; H477-H481 PolarHBondContact O-N 3.47Å; H477-F538 AromaticContact CE1-CE2 3.52Å; H477-F538 AromaticContact CE1-CZ 3.92Å; H477-F538 AromaticContact NE2-CE2 3.99Å; H477-F538 AromaticContact NE2-CZ 3.94Å
478	E	87.4	Confident	84.2	Confident	5 Å²	5	18.2 Å²	18.2	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-47.3	-178.1	-171.6	63.2	-173.7	0	0	112.4	I134 H448 N449 V474 H481 E482	I134-E478 HydrophobicContact CG2-CB 4.13Å; I134-E478 HydrophobicContact CG2-CG 3.77Å; H448-E478 IonicContact CD2-OE2 3.91Å; H448-E478 IonicContact NE2-OE1 3.92Å; H448-E478 PolarHBondContact NE2-OE1 3.21Å; H448-E478 IonicContact NE2-OE2 3.1Å; H448-E478 PolarHBondContact NE2-OE2 2.94Å; N449-E478 PolarHBondContact ND2-OE1 2.93Å; N449-E478 PolarHBondContact OD1-OE1 3.31Å; V474-E478 HydrophobicContact CG1-CB 4.43Å; V474-E478 VanDerWaalsContact O-CB 3.27Å; V474-E478 WeakPolarHBondContact O-CB 3.44Å; V474-E478 PolarHBondContact O-N 3.07Å; E478-H481 PolarHBondContact O-N 3.28Å; E478-E482 HydrophobicContact CG-CG 4.12Å; E478-E482 VanDerWaalsContact O-CB 3.29Å; E478-E482 WeakPolarHBondContact O-CB 3.4Å; E478-E482 VanDerWaalsContact O-CG 3.32Å; E478-E482 WeakPolarHBondContact O-CG 3.45Å; E478-E482 PolarHBondContact O-N 2.99Å; E478-E482 WeakPolarHBondContact OE1-CG 3.3Å
479	L	82.7	Confident	83.9	Confident	55 Å²	55	15.6 Å²	15.6	29%	0.288	9%	0.087	S	C	.	.	H	α-helix	trans	-57.1	-51.3	179.7	178.5	179.6	0	0	0	111.8	V137 F475 L483	V137-L479 HydrophobicContact CG1-CB 4.5Å; V137-L479 HydrophobicContact CG1-CD1 3.72Å; V137-L479 HydrophobicContact CG1-CG 4.22Å; F475-L479 HydrophobicContact CZ-CD1 4.49Å; F475-L479 PolarHBondContact O-N 2.91Å; L479-L483 PolarHBondContact O-N 3.1Å
480	P	79	Confident	83.6	Confident	5 Å²	5	18.2 Å²	18.2	3%	0.032	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-32.5	177.8	-7.8	17	0	0	0	114.3	L160 L163 A164 C476 H477 G484	L160-P480 HydrophobicContact CB-CB 4.15Å; L160-P480 HydrophobicContact CD2-CB 4.45Å; L160-P480 WeakPolarHBondContact O-CB 3.26Å; L163-P480 HydrophobicContact CD2-CB 4.25Å; L163-P480 HydrophobicContact CD2-CG 3.41Å; L163-P480 VanDerWaalsContact CD2-CG 3.41Å; A164-P480 HydrophobicContact CB-CB 3.66Å; A164-P480 HydrophobicContact CB-CG 4.38Å; C476-P480 WeakPolarHBondContact O-CD 3.46Å; C476-P480 WeakPolarHBondContact O-CG 3.43Å; H477-P480 WeakPolarHBondContact O-CD 3.39Å; P480-G484 PolarHBondContact O-N 3Å
481	H	84	Confident	82.8	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-52	177.1	-172.5	-77.2	0	0	0	111.3	A164 H448 H477 E478 L483 G484 D485 I541 M546	A164-H481 HydrophobicContact CB-CB 4.49Å; H448-H481 AromaticContact CE1-CE1 3.2Å; H448-H481 PolarHBondContact CE1-CE1 3.21Å; H448-H481 AromaticContact CE1-ND1 3.25Å; H448-H481 PolarHBondContact CE1-ND1 3.39Å; H448-H481 VanDerWaalsContact CE1-ND1 3.25Å; H448-H481 AromaticContact ND1-CE1 3.34Å; H448-H481 PolarHBondContact ND1-CE1 2.96Å; H448-H481 VanDerWaalsContact ND1-CE1 3.34Å; H448-H481 AromaticContact ND1-ND1 3.84Å; H448-H481 AromaticContact NE2-ND1 3.76Å; H477-H481 WeakPolarHBondContact O-CB 3.47Å; H477-H481 PolarHBondContact O-N 3.47Å; E478-H481 PolarHBondContact O-N 3.28Å; H481-L483 PolarHBondContact O-N 3.04Å; H481-G484 WeakPolarHBondContact O-CA 3.44Å; H481-G484 PolarHBondContact O-N 3.24Å; H481-D485 IonicContact CE1-OD1 3.57Å; H481-D485 IonicContact CE1-OD2 3.53Å; H481-D485 PolarHBondContact CE1-OD2 2.99Å; H481-D485 IonicContact ND1-OD2 3.4Å; H481-D485 PolarHBondContact ND1-OD2 2.88Å; H481-D485 VanDerWaalsContact ND1-OD2 3.1Å; H481-D485 PolarHBondContact O-N 2.97Å; H481-I541 WeakPolarHBondContact NE2-CG2 3.4Å; H481-M546 VanDerWaalsContact CD2-SD 3.55Å
482	E	85.8	Confident	82	Confident	9 Å²	9	24.8 Å²	24.8	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-35.3	177.4	-77.2	-84.1	-135.1	0	0	112.8	E478 F486 N503	E478-E482 HydrophobicContact CG-CG 4.12Å; E478-E482 VanDerWaalsContact O-CB 3.29Å; E478-E482 WeakPolarHBondContact O-CB 3.4Å; E478-E482 VanDerWaalsContact O-CG 3.32Å; E478-E482 WeakPolarHBondContact O-CG 3.45Å; E478-E482 PolarHBondContact O-N 2.99Å; E478-E482 WeakPolarHBondContact OE1-CG 3.3Å; E482-F486 WeakPolarHBondContact O-CB 3.5Å; E482-F486 PolarHBondContact O-N 3.09Å; E482-N503 PolarHBondContact OE1-ND2 2.88Å; E482-N503 PolarHBondContact OE2-ND2 3.47Å
483	L	79.6	Confident	81.4	Confident	15 Å²	15	23.3 Å²	23.3	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-68.9	-37	174.8	-159	78.4	0	0	0	112.6	G141 V145 I157 L160 L479 H481 A487	G141-L483 WeakPolarHBondContact O-CD1 3.43Å; V145-L483 HydrophobicContact CG2-CD1 3.16Å; V145-L483 HydrophobicContact CG2-CG 4.08Å; I157-L483 HydrophobicContact CD1-CD2 3.56Å; I157-L483 HydrophobicContact CD1-CG 3.77Å; L160-L483 HydrophobicContact CB-CD2 4.36Å; L160-L483 HydrophobicContact CD1-CD2 3.14Å; L160-L483 HydrophobicContact CG-CD2 4.33Å; L479-L483 PolarHBondContact O-N 3.1Å; H481-L483 PolarHBondContact O-N 3.04Å; L483-A487 WeakPolarHBondContact O-CB 3.45Å; L483-A487 PolarHBondContact O-N 2.9Å
484	G	77.2	Confident	81.1	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-54.6	174	0	0	0	0	0	111	P480 H481 F486 A487 V488	P480-G484 PolarHBondContact O-N 3Å; H481-G484 WeakPolarHBondContact O-CA 3.44Å; H481-G484 PolarHBondContact O-N 3.24Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 2.88Å; G484-A487 WeakPolarHBondContact O-CA 3.39Å; G484-A487 WeakPolarHBondContact O-CB 3.4Å; G484-A487 PolarHBondContact O-N 3.29Å; G484-V488 PolarHBondContact O-N 3.39Å
485	D	80.5	Confident	80.8	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.027	17%	0.169	C	C	.	.	H	α-helix	trans	-54.7	-46.3	176.8	-75.8	-12.7	0	0	0	111.3	V441 H448 H481 A487 V488 L489	V441-D485 HydrophobicContact CG1-CB 3.72Å; H448-D485 IonicContact CE1-OD2 2.73Å; H481-D485 IonicContact CE1-OD1 3.57Å; H481-D485 IonicContact CE1-OD2 3.53Å; H481-D485 PolarHBondContact CE1-OD2 2.99Å; H481-D485 IonicContact ND1-OD2 3.4Å; H481-D485 PolarHBondContact ND1-OD2 2.88Å; H481-D485 VanDerWaalsContact ND1-OD2 3.1Å; H481-D485 PolarHBondContact O-N 2.97Å; D485-A487 PolarHBondContact O-N 3.14Å; D485-V488 PolarHBondContact O-N 3.4Å; D485-L489 VanDerWaalsContact O-CG 3.31Å; D485-L489 WeakPolarHBondContact O-CG 3.36Å; D485-L489 PolarHBondContact O-N 3.13Å
486	F	81.7	Confident	80.6	Confident	6 Å²	6	34 Å²	34	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-39.9	176.3	-177.7	-102.3	0	0	0	112.8	V142 V145 E482 G484 V488 L489 L490 I496 A499	V142-F486 HydrophobicContact CB-CD2 4.27Å; V142-F486 HydrophobicContact CB-CG 4.3Å; V142-F486 HydrophobicContact CG1-CD1 4.05Å; V142-F486 HydrophobicContact CG1-CD2 3.32Å; V142-F486 HydrophobicContact CG1-CE1 3.93Å; V142-F486 HydrophobicContact CG1-CE2 3.22Å; V142-F486 HydrophobicContact CG1-CG 3.73Å; V142-F486 HydrophobicContact CG1-CZ 3.54Å; V142-F486 HydrophobicContact CG2-CB 3.89Å; V142-F486 HydrophobicContact CG2-CD2 4.05Å; V142-F486 HydrophobicContact CG2-CG 3.91Å; V145-F486 HydrophobicContact CB-CD1 4.06Å; V145-F486 HydrophobicContact CB-CE1 3.69Å; V145-F486 HydrophobicContact CG1-CD1 4.04Å; V145-F486 HydrophobicContact CG1-CE1 3.63Å; V145-F486 HydrophobicContact CG2-CD1 3.8Å; V145-F486 HydrophobicContact CG2-CE1 3.97Å; E482-F486 WeakPolarHBondContact O-CB 3.5Å; E482-F486 PolarHBondContact O-N 3.09Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 2.88Å; F486-V488 VanDerWaalsContact C-N 3.31Å; F486-V488 PolarHBondContact O-N 2.84Å; F486-L489 PolarHBondContact O-N 3.08Å; F486-L490 HydrophobicContact CD1-CD1 3.93Å; F486-L490 HydrophobicContact CD1-CG 4.15Å; F486-L490 HydrophobicContact CE1-CD1 3.22Å; F486-L490 HydrophobicContact CE1-CD2 4.3Å; F486-L490 HydrophobicContact CE1-CG 3.7Å; F486-L490 HydrophobicContact CE2-CD1 4.46Å; F486-L490 HydrophobicContact CE2-CD2 4.1Å; F486-L490 HydrophobicContact CE2-CG 4.14Å; F486-L490 HydrophobicContact CZ-CD1 3.55Å; F486-L490 HydrophobicContact CZ-CD2 3.78Å; F486-L490 HydrophobicContact CZ-CG 3.69Å; F486-L490 WeakPolarHBondContact O-CG 3.3Å; F486-L490 PolarHBondContact O-N 2.99Å; F486-I496 HydrophobicContact CE2-CG2 4.39Å; F486-I496 HydrophobicContact CZ-CB 4.48Å; F486-I496 HydrophobicContact CZ-CG1 4.23Å; F486-I496 HydrophobicContact CZ-CG2 4.06Å; F486-A499 HydrophobicContact CD2-CB 3.73Å; F486-A499 HydrophobicContact CE2-CB 3.64Å
487	A	76.4	Confident	80.7	Confident	6 Å²	6	41.3 Å²	41.3	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-38.2	176	0	0	0	0	0	111.7	F153 I157 L483 G484 D485 K491	F153-A487 HydrophobicContact CZ-CB 4.37Å; I157-A487 HydrophobicContact CD1-CB 4.27Å; I157-A487 HydrophobicContact CG2-CB 4.42Å; L483-A487 WeakPolarHBondContact O-CB 3.45Å; L483-A487 PolarHBondContact O-N 2.9Å; G484-A487 WeakPolarHBondContact O-CA 3.39Å; G484-A487 WeakPolarHBondContact O-CB 3.4Å; G484-A487 PolarHBondContact O-N 3.29Å; D485-A487 PolarHBondContact O-N 3.14Å; A487-K491 WeakPolarHBondContact O-CG 3.15Å; A487-K491 PolarHBondContact O-N 3.43Å; A487-K491 VanDerWaalsContact O-N 3.12Å
488	V	75.7	Confident	80.7	Confident	24 Å²	24	45.6 Å²	45.6	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-46	172.8	-179.8	0	0	0	0	110.6	V437 V441 G484 D485 F486 L490 K491 T492 E549	V437-V488 HydrophobicContact CG1-CG1 4.08Å; V441-V488 HydrophobicContact CG2-CB 4.42Å; V441-V488 HydrophobicContact CG2-CG1 3.82Å; G484-V488 PolarHBondContact O-N 3.39Å; D485-V488 PolarHBondContact O-N 3.4Å; F486-V488 VanDerWaalsContact C-N 3.31Å; F486-V488 PolarHBondContact O-N 2.84Å; V488-L490 PolarHBondContact O-N 3.13Å; V488-K491 WeakPolarHBondContact O-CB 3.25Å; V488-K491 PolarHBondContact O-N 2.94Å; V488-T492 HydrophobicContact CG1-CG2 4.37Å; V488-T492 WeakPolarHBondContact O-CG2 3.41Å; V488-T492 PolarHBondContact O-N 3.3Å; V488-E549 WeakPolarHBondContact CG2-OE1 3.41Å
489	L	81.8	Confident	80.6	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-40.2	178.8	-68.9	174.7	0	0	0	112.6	A438 V441 I442 D485 F486 T492 M494 A499	A438-L489 HydrophobicContact CB-CD2 3.8Å; V441-L489 HydrophobicContact CB-CD2 4.37Å; V441-L489 HydrophobicContact CG1-CD2 4.33Å; V441-L489 HydrophobicContact CG1-CG 4.23Å; I442-L489 HydrophobicContact CD1-CD2 4.05Å; I442-L489 HydrophobicContact CG1-CD1 4.19Å; I442-L489 HydrophobicContact CG1-CD2 3.93Å; D485-L489 VanDerWaalsContact O-CG 3.31Å; D485-L489 WeakPolarHBondContact O-CG 3.36Å; D485-L489 PolarHBondContact O-N 3.13Å; F486-L489 PolarHBondContact O-N 3.08Å; L489-T492 WeakPolarHBondContact CA-OG1 3.3Å; L489-T492 WeakPolarHBondContact O-CA 3.4Å; L489-T492 WeakPolarHBondContact O-CB 3.46Å; L489-T492 PolarHBondContact O-N 2.98Å; L489-T492 VanDerWaalsContact O-N 3.08Å; L489-T492 PolarHBondContact O-OG1 3.2Å; L489-M494 HydrophobicContact CB-SD 4.48Å; L489-M494 HydrophobicContact CD2-CE 4.02Å; L489-M494 HydrophobicContact CD2-SD 4.16Å; L489-M494 VanDerWaalsContact O-CB 3.31Å; L489-M494 WeakPolarHBondContact O-CB 3.48Å; L489-M494 PolarHBondContact O-N 3.24Å; L489-A499 HydrophobicContact CB-CB 4.16Å; L489-A499 HydrophobicContact CD1-CB 4.05Å
490	L	78.8	Confident	80.7	Confident	57 Å²	57	45.4 Å²	45.4	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-67.3	-39.3	174.8	-70.8	-171.1	0	0	0	112.9	V145 F486 V488 T492 G493 I496	V145-L490 HydrophobicContact CG1-CD1 4.2Å; F486-L490 HydrophobicContact CD1-CD1 3.93Å; F486-L490 HydrophobicContact CD1-CG 4.15Å; F486-L490 HydrophobicContact CE1-CD1 3.22Å; F486-L490 HydrophobicContact CE1-CD2 4.3Å; F486-L490 HydrophobicContact CE1-CG 3.7Å; F486-L490 HydrophobicContact CE2-CD1 4.46Å; F486-L490 HydrophobicContact CE2-CD2 4.1Å; F486-L490 HydrophobicContact CE2-CG 4.14Å; F486-L490 HydrophobicContact CZ-CD1 3.55Å; F486-L490 HydrophobicContact CZ-CD2 3.78Å; F486-L490 HydrophobicContact CZ-CG 3.69Å; F486-L490 WeakPolarHBondContact O-CG 3.3Å; F486-L490 PolarHBondContact O-N 2.99Å; V488-L490 PolarHBondContact O-N 3.13Å; L490-T492 PolarHBondContact O-N 3.11Å; L490-G493 PolarHBondContact O-N 3.45Å; L490-I496 HydrophobicContact CD2-CG1 3.7Å
491	K	72.6	Confident	81.2	Confident	136 Å²	136	51 Å²	51	59%	0.591	25%	0.245	S	C	*	.	H	α-helix	trans	-61.5	-28.2	171.5	-75.1	176.2	-177.6	174.6	0	111.3	A487 V488 G493	A487-K491 WeakPolarHBondContact O-CG 3.15Å; A487-K491 PolarHBondContact O-N 3.43Å; A487-K491 VanDerWaalsContact O-N 3.12Å; V488-K491 WeakPolarHBondContact O-CB 3.25Å; V488-K491 PolarHBondContact O-N 2.94Å; K491-G493 PolarHBondContact O-N 3.43Å
492	T	73.2	Confident	81.4	Confident	14 Å²	14	53 Å²	53	9%	0.086	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.5	175.5	72	0	0	0	0	114.6	V430 V434 V437 A438 V488 L489 L490 M494	V430-T492 VanDerWaalsContact CG1-O 3.22Å; V430-T492 WeakPolarHBondContact CG1-O 3.49Å; V434-T492 VanDerWaalsContact CG1-C 3.46Å; V434-T492 HydrophobicContact CG1-CG2 3.62Å; V434-T492 VanDerWaalsContact CG1-O 3.22Å; V434-T492 WeakPolarHBondContact CG1-O 3.29Å; V434-T492 WeakPolarHBondContact O-CG2 3.27Å; V437-T492 HydrophobicContact CB-CG2 4.44Å; V437-T492 HydrophobicContact CG1-CG2 4.29Å; A438-T492 HydrophobicContact CB-CG2 4.14Å; V488-T492 HydrophobicContact CG1-CG2 4.37Å; V488-T492 WeakPolarHBondContact O-CG2 3.41Å; V488-T492 PolarHBondContact O-N 3.3Å; L489-T492 WeakPolarHBondContact CA-OG1 3.3Å; L489-T492 WeakPolarHBondContact O-CA 3.4Å; L489-T492 WeakPolarHBondContact O-CB 3.46Å; L489-T492 PolarHBondContact O-N 2.98Å; L489-T492 VanDerWaalsContact O-N 3.08Å; L489-T492 PolarHBondContact O-OG1 3.2Å; L490-T492 PolarHBondContact O-N 3.11Å; T492-M494 PolarHBondContact O-N 2.66Å
493	G	75.2	Confident	81.3	Confident	45 Å²	45	53 Å²	53	46%	0.464	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.6	-179.1	0	0	0	0	0	114	L490 K491	L490-G493 PolarHBondContact O-N 3.45Å; K491-G493 PolarHBondContact O-N 3.43Å
494	M	78.9	Confident	81.8	Confident	32 Å²	32	55.9 Å²	55.9	16%	0.158	27%	0.269	C	S	.	.			trans	-65.5	136.5	173.9	-169.7	168.7	-63.2	0	0	109.9	A438 I442 L489 T492 E498 A499 F502	A438-M494 HydrophobicContact CB-CE 3.81Å; I442-M494 HydrophobicContact CD1-CE 3.84Å; I442-M494 HydrophobicContact CD1-SD 4.3Å; L489-M494 HydrophobicContact CB-SD 4.48Å; L489-M494 HydrophobicContact CD2-CE 4.02Å; L489-M494 HydrophobicContact CD2-SD 4.16Å; L489-M494 VanDerWaalsContact O-CB 3.31Å; L489-M494 WeakPolarHBondContact O-CB 3.48Å; L489-M494 PolarHBondContact O-N 3.24Å; T492-M494 PolarHBondContact O-N 2.66Å; M494-E498 HydrophobicContact CG-CB 3.54Å; M494-E498 HydrophobicContact SD-CB 4.03Å; M494-A499 HydrophobicContact CG-CB 4.35Å; M494-A499 HydrophobicContact SD-CB 4.08Å; M494-F502 HydrophobicContact CE-CE2 4.41Å; M494-F502 HydrophobicContact SD-CD2 3.96Å; M494-F502 HydrophobicContact SD-CE2 4.28Å
495	R	84.9	Confident	82.4	Confident	187 Å²	187	59.1 Å²	59.1	71%	0.706	29%	0.285	S	S	*	.			trans	-68.1	145.1	176.5	-65.8	177.7	169.4	-175.3	-2.2	109	K497 E498 A499	R495-K497 PolarHBondContact O-N 3Å; R495-E498 HydrophobicContact CB-CG 4.19Å; R495-E498 PolarHBondContact N-OE2 3.41Å; R495-E498 WeakPolarHBondContact O-CA 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.36Å; R495-E498 PolarHBondContact O-N 3.34Å; R495-A499 PolarHBondContact O-N 2.8Å; R495-A499 VanDerWaalsContact O-N 3.1Å
496	I	85	Confident	82.8	Confident	75 Å²	75	59 Å²	59	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-48.3	-42	177.5	-63.9	167.6	0	0	0	111.6	F486 L490 E498 A499 M500	F486-I496 HydrophobicContact CE2-CG2 4.39Å; F486-I496 HydrophobicContact CZ-CB 4.48Å; F486-I496 HydrophobicContact CZ-CG1 4.23Å; F486-I496 HydrophobicContact CZ-CG2 4.06Å; L490-I496 HydrophobicContact CD2-CG1 3.7Å; I496-E498 VanDerWaalsContact C-N 3.34Å; I496-E498 PolarHBondContact O-N 3.47Å; I496-A499 PolarHBondContact O-N 3.48Å; I496-M500 HydrophobicContact CG2-CG 4.34Å; I496-M500 HydrophobicContact CG2-SD 4.04Å; I496-M500 WeakPolarHBondContact O-CB 3.47Å; I496-M500 VanDerWaalsContact O-CG 3.29Å; I496-M500 WeakPolarHBondContact O-CG 3.5Å; I496-M500 PolarHBondContact O-N 3.14Å
497	K	87.2	Confident	83.2	Confident	179 Å²	179	59.8 Å²	59.8	78%	0.778	29%	0.291	S	S	*	.	H	α-helix	trans	-63.3	-36.4	179.1	-63.8	-176.2	179.9	-179.6	0	113.4	R495 F501	R495-K497 PolarHBondContact O-N 3Å; K497-F501 WeakPolarHBondContact O-CB 3.22Å; K497-F501 PolarHBondContact O-N 3.05Å; K497-F501 VanDerWaalsContact O-N 3.12Å
498	E	87.3	Confident	83.9	Confident	91 Å²	91	64.2 Å²	64.2	43%	0.425	31%	0.312	S	S	.	.	H	α-helix	trans	-72.3	-45.1	179	-66.5	166.6	160.9	0	0	110	M494 R495 I496 M500 F501 F502	M494-E498 HydrophobicContact CG-CB 3.54Å; M494-E498 HydrophobicContact SD-CB 4.03Å; R495-E498 HydrophobicContact CB-CG 4.19Å; R495-E498 PolarHBondContact N-OE2 3.41Å; R495-E498 WeakPolarHBondContact O-CA 3.09Å; R495-E498 WeakPolarHBondContact O-CB 3.36Å; R495-E498 PolarHBondContact O-N 3.34Å; I496-E498 VanDerWaalsContact C-N 3.34Å; I496-E498 PolarHBondContact O-N 3.47Å; E498-M500 PolarHBondContact O-N 2.9Å; E498-F501 WeakPolarHBondContact O-CB 3.43Å; E498-F501 PolarHBondContact O-N 2.85Å; E498-F501 VanDerWaalsContact O-N 3.11Å; E498-F502 WeakPolarHBondContact O-CD2 3.48Å; E498-F502 PolarHBondContact O-N 2.81Å
499	A	84.2	Confident	84.7	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-43.7	176.2	0	0	0	0	0	111.8	F486 L489 M494 R495 I496 F501 F502 N503	F486-A499 HydrophobicContact CD2-CB 3.73Å; F486-A499 HydrophobicContact CE2-CB 3.64Å; L489-A499 HydrophobicContact CB-CB 4.16Å; L489-A499 HydrophobicContact CD1-CB 4.05Å; M494-A499 HydrophobicContact CG-CB 4.35Å; M494-A499 HydrophobicContact SD-CB 4.08Å; R495-A499 PolarHBondContact O-N 2.8Å; R495-A499 VanDerWaalsContact O-N 3.1Å; I496-A499 PolarHBondContact O-N 3.48Å; A499-F501 VanDerWaalsContact C-N 3.3Å; A499-F501 PolarHBondContact O-N 3.42Å; A499-F502 PolarHBondContact O-N 2.81Å; A499-N503 PolarHBondContact O-N 3.46Å
500	M	86.1	Confident	85.3	Confident	56 Å²	56	64.4 Å²	64.4	28%	0.276	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-37.1	173.5	-72.7	-179	74.8	0	0	112.8	L139 V142 I496 E498 I504	L139-M500 HydrophobicContact CD1-CE 4.45Å; L139-M500 HydrophobicContact CD2-CE 3.97Å; L139-M500 HydrophobicContact CG-CE 4.12Å; V142-M500 HydrophobicContact CG1-CG 3.86Å; I496-M500 HydrophobicContact CG2-CG 4.34Å; I496-M500 HydrophobicContact CG2-SD 4.04Å; I496-M500 WeakPolarHBondContact O-CB 3.47Å; I496-M500 VanDerWaalsContact O-CG 3.29Å; I496-M500 WeakPolarHBondContact O-CG 3.5Å; I496-M500 PolarHBondContact O-N 3.14Å; E498-M500 PolarHBondContact O-N 2.9Å; M500-I504 WeakPolarHBondContact O-CG1 3.49Å; M500-I504 PolarHBondContact O-N 3.39Å
501	F	89.8	Confident	86	Confident	121 Å²	121	64.8 Å²	64.8	53%	0.531	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-40.4	178.2	176.2	-101.5	0	0	0	112	K497 E498 A499 I504 I505	K497-F501 WeakPolarHBondContact O-CB 3.22Å; K497-F501 PolarHBondContact O-N 3.05Å; K497-F501 VanDerWaalsContact O-N 3.12Å; E498-F501 WeakPolarHBondContact O-CB 3.43Å; E498-F501 PolarHBondContact O-N 2.85Å; E498-F501 VanDerWaalsContact O-N 3.11Å; A499-F501 VanDerWaalsContact C-N 3.3Å; A499-F501 PolarHBondContact O-N 3.42Å; F501-I504 PolarHBondContact O-N 3.43Å; F501-I505 HydrophobicContact CD1-CD1 3.85Å; F501-I505 HydrophobicContact CE1-CD1 3.33Å; F501-I505 HydrophobicContact CE1-CG1 4.34Å; F501-I505 HydrophobicContact CZ-CD1 3.73Å; F501-I505 HydrophobicContact CZ-CG1 4.41Å; F501-I505 WeakPolarHBondContact O-CG1 3.45Å; F501-I505 PolarHBondContact O-N 3.3Å; F501-I505 VanDerWaalsContact O-N 3.1Å
502	F	87.6	Confident	87	Confident	45 Å²	45	62.8 Å²	62.8	20%	0.197	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-37	176.5	-74.9	-66.5	0	0	0	112.9	W439 I442 M494 E498 A499 I504 I505 S506	W439-F502 HydrophobicContact CH2-CE1 4.15Å; W439-F502 HydrophobicContact CH2-CZ 4.23Å; W439-F502 HydrophobicContact CZ3-CE1 4.34Å; I442-F502 HydrophobicContact CD1-CB 3.99Å; I442-F502 HydrophobicContact CD1-CD1 4.04Å; I442-F502 HydrophobicContact CD1-CD2 3.5Å; I442-F502 HydrophobicContact CD1-CE1 4.4Å; I442-F502 HydrophobicContact CD1-CE2 3.92Å; I442-F502 HydrophobicContact CD1-CG 3.58Å; I442-F502 HydrophobicContact CD1-CZ 4.35Å; I442-F502 HydrophobicContact CG1-CB 3.95Å; I442-F502 HydrophobicContact CG1-CD2 4.4Å; I442-F502 HydrophobicContact CG1-CG 4.06Å; I442-F502 HydrophobicContact CG2-CB 3.99Å; I442-F502 HydrophobicContact CG2-CD1 3.7Å; I442-F502 HydrophobicContact CG2-CE1 4.43Å; I442-F502 HydrophobicContact CG2-CG 4Å; M494-F502 HydrophobicContact CE-CE2 4.41Å; M494-F502 HydrophobicContact SD-CD2 3.96Å; M494-F502 HydrophobicContact SD-CE2 4.28Å; E498-F502 WeakPolarHBondContact O-CD2 3.48Å; E498-F502 PolarHBondContact O-N 2.81Å; A499-F502 PolarHBondContact O-N 2.81Å; F502-I504 PolarHBondContact O-N 3.36Å; F502-I505 HydrophobicContact CD1-CD1 4.21Å; F502-I505 WeakPolarHBondContact O-CB 3.34Å; F502-I505 PolarHBondContact O-N 3.24Å; F502-I505 VanDerWaalsContact O-N 3.13Å; F502-S506 PolarHBondContact O-N 2.81Å
503	N	84.6	Confident	88	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.043	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-42.3	171.2	175.5	-50.6	0	0	0	111.3	E482 A499 I505 S506 S507	E482-N503 PolarHBondContact OE1-ND2 2.88Å; E482-N503 PolarHBondContact OE2-ND2 3.47Å; A499-N503 PolarHBondContact O-N 3.46Å; N503-I505 VanDerWaalsContact C-N 3.28Å; N503-I505 PolarHBondContact O-N 2.84Å; N503-S506 CarbonylContact O-C 3.51Å; N503-S506 WeakPolarHBondContact O-CA 3.22Å; N503-S506 WeakPolarHBondContact O-CB 3.45Å; N503-S506 PolarHBondContact O-N 2.88Å; N503-S507 PolarHBondContact O-N 2.73Å
504	I	88.8	Confident	88.8	Confident	76 Å²	76	60 Å²	60	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-40.6	173.2	-68.2	165.6	0	0	0	111.2	L139 M500 F501 F502 S506 S507 I508	L139-I504 HydrophobicContact CD1-CD1 4.08Å; L139-I504 HydrophobicContact CD1-CG1 3.73Å; M500-I504 WeakPolarHBondContact O-CG1 3.49Å; M500-I504 PolarHBondContact O-N 3.39Å; F501-I504 PolarHBondContact O-N 3.43Å; F502-I504 PolarHBondContact O-N 3.36Å; I504-S506 VanDerWaalsContact C-N 3.31Å; I504-S506 PolarHBondContact O-N 3.39Å; I504-S507 PolarHBondContact O-N 3.01Å; I504-S507 PolarHBondContact O-OG 3.04Å; I504-I508 PolarHBondContact O-N 3.03Å
505	I	90.6	Very high	89.4	Confident	68 Å²	68	61.8 Å²	61.8	35%	0.349	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-40.5	174.7	-68.4	169.3	0	0	0	110.8	F501 F502 N503 S507 I508 L509	F501-I505 HydrophobicContact CD1-CD1 3.85Å; F501-I505 HydrophobicContact CE1-CD1 3.33Å; F501-I505 HydrophobicContact CE1-CG1 4.34Å; F501-I505 HydrophobicContact CZ-CD1 3.73Å; F501-I505 HydrophobicContact CZ-CG1 4.41Å; F501-I505 WeakPolarHBondContact O-CG1 3.45Å; F501-I505 PolarHBondContact O-N 3.3Å; F501-I505 VanDerWaalsContact O-N 3.1Å; F502-I505 HydrophobicContact CD1-CD1 4.21Å; F502-I505 WeakPolarHBondContact O-CB 3.34Å; F502-I505 PolarHBondContact O-N 3.24Å; F502-I505 VanDerWaalsContact O-N 3.13Å; N503-I505 VanDerWaalsContact C-N 3.28Å; N503-I505 PolarHBondContact O-N 2.84Å; I505-S507 PolarHBondContact O-N 3.07Å; I505-I508 WeakPolarHBondContact O-CB 3.45Å; I505-I508 PolarHBondContact O-N 3.46Å; I505-L509 PolarHBondContact O-N 3.41Å
506	S	89.1	Confident	89.7	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-46.3	174.8	-161	0	0	0	0	111.6	D445 G446 N449 F502 N503 I504 I508 L509 C510	D445-S506 PolarHBondContact OD1-OG 3.35Å; D445-S506 VanDerWaalsContact OD2-CB 3.26Å; D445-S506 WeakPolarHBondContact OD2-CB 3.47Å; D445-S506 PolarHBondContact OD2-OG 3Å; G446-S506 VanDerWaalsContact CA-OG 3.28Å; G446-S506 WeakPolarHBondContact CA-OG 3.24Å; G446-S506 PolarHBondContact N-OG 3.33Å; N449-S506 WeakPolarHBondContact CB-OG 3.37Å; N449-S506 PolarHBondContact ND2-OG 3.35Å; F502-S506 PolarHBondContact O-N 2.81Å; N503-S506 CarbonylContact O-C 3.51Å; N503-S506 WeakPolarHBondContact O-CA 3.22Å; N503-S506 WeakPolarHBondContact O-CB 3.45Å; N503-S506 PolarHBondContact O-N 2.88Å; I504-S506 VanDerWaalsContact C-N 3.31Å; I504-S506 PolarHBondContact O-N 3.39Å; S506-I508 PolarHBondContact O-N 2.78Å; S506-I508 VanDerWaalsContact O-N 3.16Å; S506-L509 WeakPolarHBondContact O-CA 3.48Å; S506-L509 VanDerWaalsContact O-CB 3.29Å; S506-L509 WeakPolarHBondContact O-CB 3.5Å; S506-L509 PolarHBondContact O-N 2.79Å; S506-C510 PolarHBondContact O-N 2.89Å; S506-C510 VanDerWaalsContact O-N 3.16Å
507	S	89	Confident	89.9	Confident	22 Å²	22	50.3 Å²	50.3	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-30.7	177.3	76.1	0	0	0	0	114.1	N503 I504 I505 L509 C510 L511	N503-S507 PolarHBondContact O-N 2.73Å; I504-S507 PolarHBondContact O-N 3.01Å; I504-S507 PolarHBondContact O-OG 3.04Å; I505-S507 PolarHBondContact O-N 3.07Å; S507-L509 VanDerWaalsContact C-N 3.32Å; S507-C510 WeakPolarHBondContact O-CB 3.48Å; S507-C510 PolarHBondContact O-N 3.46Å; S507-L511 PolarHBondContact O-N 2.75Å; S507-L511 VanDerWaalsContact O-N 3.09Å
508	I	91.8	Very high	90	Very high	99 Å²	99	41.8 Å²	41.8	51%	0.508	21%	0.207	S	C	.	.	H	α-helix	trans	-68.8	-34.8	175	-63.8	169	0	0	0	110.6	I504 I505 S506 C510 L511 F512	I504-I508 PolarHBondContact O-N 3.03Å; I505-I508 WeakPolarHBondContact O-CB 3.45Å; I505-I508 PolarHBondContact O-N 3.46Å; S506-I508 PolarHBondContact O-N 2.78Å; S506-I508 VanDerWaalsContact O-N 3.16Å; I508-C510 VanDerWaalsContact C-N 3.33Å; I508-L511 WeakPolarHBondContact O-CB 3.4Å; I508-L511 PolarHBondContact O-N 3.2Å; I508-F512 PolarHBondContact O-N 3.44Å
509	L	92.3	Very high	89.8	Confident	37 Å²	37	38.8 Å²	38.8	19%	0.194	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-35.7	174.2	-63.6	175	0	0	0	111.3	W3 G446 F450 I505 S506 S507 F512 G513	W3-L509 HydrophobicContact CH2-CD2 3.52Å; W3-L509 HydrophobicContact CZ2-CD2 3.77Å; G446-L509 WeakPolarHBondContact O-CD1 3.1Å; F450-L509 HydrophobicContact CB-CB 4.32Å; I505-L509 PolarHBondContact O-N 3.41Å; S506-L509 WeakPolarHBondContact O-CA 3.48Å; S506-L509 VanDerWaalsContact O-CB 3.29Å; S506-L509 WeakPolarHBondContact O-CB 3.5Å; S506-L509 PolarHBondContact O-N 2.79Å; S507-L509 VanDerWaalsContact C-N 3.32Å; L509-F512 PolarHBondContact O-N 2.71Å; L509-G513 PolarHBondContact O-N 3.04Å
510	C	93.7	Very high	89.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-45.6	170.2	-177.2	0	0	0	0	112.1	I131 N449 G453 S506 S507 I508 F512 G513 M514	I131-C510 HydrophobicContact CG2-CB 4.48Å; N449-C510 HydrophobicContact CB-CB 4.17Å; N449-C510 WeakPolarHBondContact O-CA 3.39Å; N449-C510 VanDerWaalsContact O-CB 3.23Å; N449-C510 WeakPolarHBondContact O-CB 3.47Å; N449-C510 PolarHBondContact O-SG 2.95Å; G453-C510 WeakPolarHBondContact CA-O 3.23Å; S506-C510 PolarHBondContact O-N 2.89Å; S506-C510 VanDerWaalsContact O-N 3.16Å; S507-C510 WeakPolarHBondContact O-CB 3.48Å; S507-C510 PolarHBondContact O-N 3.46Å; I508-C510 VanDerWaalsContact C-N 3.33Å; C510-F512 VanDerWaalsContact C-N 3.31Å; C510-F512 PolarHBondContact O-N 3.26Å; C510-G513 WeakPolarHBondContact O-CA 3.36Å; C510-G513 PolarHBondContact O-N 3.28Å; C510-G513 VanDerWaalsContact O-N 3.16Å; C510-M514 PolarHBondContact O-N 3.08Å
511	L	94	Very high	89.1	Confident	64 Å²	64	38 Å²	38	34%	0.335	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-42.6	173	-69.2	172.1	0	0	0	112.1	L128 I131 S507 I508 M514 L515	L128-L511 HydrophobicContact CD2-CD2 3.98Å; I131-L511 HydrophobicContact CB-CD2 4.14Å; I131-L511 HydrophobicContact CD1-CD2 4.22Å; I131-L511 HydrophobicContact CG2-CD2 3.58Å; I131-L511 HydrophobicContact CG2-CG 4.03Å; S507-L511 PolarHBondContact O-N 2.75Å; S507-L511 VanDerWaalsContact O-N 3.09Å; I508-L511 WeakPolarHBondContact O-CB 3.4Å; I508-L511 PolarHBondContact O-N 3.2Å; L511-M514 WeakPolarHBondContact O-CB 3.25Å; L511-M514 PolarHBondContact O-N 3.37Å; L511-L515 WeakPolarHBondContact O-CG 3.25Å; L511-L515 PolarHBondContact O-N 3.12Å; L511-L515 VanDerWaalsContact O-N 3.09Å
512	F	93.5	Very high	88.1	Confident	94 Å²	94	36.3 Å²	36.3	41%	0.412	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-41.4	176.5	-175.6	-108.8	0	0	0	112	W3 F450 I508 L509 C510 M514 L515 V516	W3-F512 HydrophobicContact CZ3-CE1 4.35Å; F450-F512 AromaticContact CD2-CD1 3.89Å; F450-F512 HydrophobicContact CD2-CD1 3.89Å; F450-F512 AromaticContact CE2-CD1 3.46Å; F450-F512 HydrophobicContact CE2-CD1 3.46Å; F450-F512 VanDerWaalsContact CE2-CD1 3.46Å; F450-F512 AromaticContact CE2-CE1 3.87Å; F450-F512 HydrophobicContact CE2-CE1 3.87Å; F450-F512 HydrophobicContact CE2-CG 4.5Å; I508-F512 PolarHBondContact O-N 3.44Å; L509-F512 PolarHBondContact O-N 2.71Å; C510-F512 VanDerWaalsContact C-N 3.31Å; C510-F512 PolarHBondContact O-N 3.26Å; F512-M514 VanDerWaalsContact C-N 3.3Å; F512-M514 PolarHBondContact O-N 3.47Å; F512-L515 PolarHBondContact O-N 3.46Å; F512-V516 HydrophobicContact CE1-CG2 4.14Å; F512-V516 HydrophobicContact CZ-CG2 4.19Å; F512-V516 WeakPolarHBondContact O-CG2 3.46Å; F512-V516 PolarHBondContact O-N 3.33Å; F512-V516 VanDerWaalsContact O-N 3.13Å
513	G	93.6	Very high	87.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-54.2	-47	171.7	0	0	0	0	0	111.8	F450 M454 L509 C510 L515 V516 G517	F450-G513 VanDerWaalsContact CD2-CA 3.44Å; F450-G513 VanDerWaalsContact CE2-CA 3.48Å; F450-G513 WeakPolarHBondContact O-CA 3.42Å; M454-G513 VanDerWaalsContact CA-O 3.24Å; M454-G513 WeakPolarHBondContact CA-O 3.21Å; M454-G513 VanDerWaalsContact N-C 3.32Å; M454-G513 PolarHBondContact N-O 3.34Å; L509-G513 PolarHBondContact O-N 3.04Å; C510-G513 WeakPolarHBondContact O-CA 3.36Å; C510-G513 PolarHBondContact O-N 3.28Å; C510-G513 VanDerWaalsContact O-N 3.16Å; G513-L515 PolarHBondContact O-N 2.93Å; G513-V516 WeakPolarHBondContact O-CB 3.21Å; G513-V516 PolarHBondContact O-N 3.09Å; G513-V516 VanDerWaalsContact O-N 3.17Å; G513-G517 PolarHBondContact O-N 3.16Å
514	M	93.8	Very high	86.7	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-42.1	176.9	-176.2	-151.2	61.5	0	0	113.5	W124 S127 L128 I131 G453 C510 L511 F512 V516 G517 I518	W124-M514 HydrophobicContact CZ3-CE 4.22Å; S127-M514 WeakPolarHBondContact CB-SD 3.35Å; S127-M514 PolarHBondContact OG-SD 3.16Å; L128-M514 HydrophobicContact CD2-CE 3.67Å; L128-M514 HydrophobicContact CD2-SD 4.22Å; L128-M514 HydrophobicContact CG-CE 4.16Å; L128-M514 HydrophobicContact CG-SD 4.38Å; I131-M514 HydrophobicContact CD1-CB 3.28Å; I131-M514 HydrophobicContact CD1-CG 3.5Å; I131-M514 VanDerWaalsContact CD1-CG 3.5Å; I131-M514 HydrophobicContact CD1-SD 3.39Å; I131-M514 WeakPolarHBondContact CD1-SD 3.41Å; I131-M514 HydrophobicContact CG1-SD 4.43Å; G453-M514 VanDerWaalsContact C-N 3.27Å; G453-M514 WeakPolarHBondContact O-CA 3.34Å; G453-M514 PolarHBondContact O-N 3.11Å; C510-M514 PolarHBondContact O-N 3.08Å; L511-M514 WeakPolarHBondContact O-CB 3.25Å; L511-M514 PolarHBondContact O-N 3.37Å; F512-M514 VanDerWaalsContact C-N 3.3Å; F512-M514 PolarHBondContact O-N 3.47Å; M514-V516 VanDerWaalsContact C-N 3.28Å; M514-V516 PolarHBondContact O-N 3.05Å; M514-G517 PolarHBondContact O-N 2.89Å; M514-I518 HydrophobicContact CE-CD1 4.31Å; M514-I518 HydrophobicContact CG-CD1 3.77Å; M514-I518 HydrophobicContact CG-CG1 4.3Å; M514-I518 WeakPolarHBondContact O-CB 3.3Å; M514-I518 VanDerWaalsContact O-CG1 3.3Å; M514-I518 WeakPolarHBondContact O-CG1 3.31Å; M514-I518 PolarHBondContact O-N 3.27Å; M514-I518 HydrophobicContact SD-CD1 4.08Å
515	L	91.6	Very high	85.9	Confident	69 Å²	69	39.7 Å²	39.7	36%	0.361	22%	0.215	S	C	.	.	H	α-helix	trans	-59.9	-42.8	175.6	-61.2	178.5	0	0	0	111.3	F116 W124 L511 F512 G513 G519	F116-L515 HydrophobicContact CZ-CD2 4.17Å; W124-L515 HydrophobicContact CH2-CD2 3.67Å; W124-L515 HydrophobicContact CZ3-CD2 3.45Å; W124-L515 VanDerWaalsContact CZ3-CD2 3.45Å; L511-L515 WeakPolarHBondContact O-CG 3.25Å; L511-L515 PolarHBondContact O-N 3.12Å; L511-L515 VanDerWaalsContact O-N 3.09Å; F512-L515 PolarHBondContact O-N 3.46Å; G513-L515 PolarHBondContact O-N 2.93Å; L515-G519 PolarHBondContact O-N 3.07Å
516	V	89.8	Confident	85.4	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.127	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-45.9	176.5	175.2	0	0	0	0	110.6	I10 F450 M454 F512 G513 M514 G519 I520	I10-V516 HydrophobicContact CD1-CG1 4.05Å; F450-V516 HydrophobicContact CE2-CG2 4.46Å; M454-V516 HydrophobicContact CE-CG1 4.49Å; F512-V516 HydrophobicContact CE1-CG2 4.14Å; F512-V516 HydrophobicContact CZ-CG2 4.19Å; F512-V516 WeakPolarHBondContact O-CG2 3.46Å; F512-V516 PolarHBondContact O-N 3.33Å; F512-V516 VanDerWaalsContact O-N 3.13Å; G513-V516 WeakPolarHBondContact O-CB 3.21Å; G513-V516 PolarHBondContact O-N 3.09Å; G513-V516 VanDerWaalsContact O-N 3.17Å; M514-V516 VanDerWaalsContact C-N 3.28Å; M514-V516 PolarHBondContact O-N 3.05Å; V516-G519 PolarHBondContact O-N 3.39Å; V516-I520 HydrophobicContact CG1-CD1 3.59Å; V516-I520 HydrophobicContact CG1-CG1 4.38Å; V516-I520 WeakPolarHBondContact O-CB 3.15Å; V516-I520 WeakPolarHBondContact O-CG1 3.37Å; V516-I520 PolarHBondContact O-N 3.44Å
517	G	90.3	Very high	85.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-45	178.8	0	0	0	0	0	113	M454 G513 M514 G521	M454-G517 WeakPolarHBondContact O-CA 3.36Å; G513-G517 PolarHBondContact O-N 3.16Å; M514-G517 PolarHBondContact O-N 2.89Å; G517-G521 VanDerWaalsContact O-CA 3.3Å; G517-G521 WeakPolarHBondContact O-CA 3.29Å; G517-G521 PolarHBondContact O-N 3.48Å
518	I	88.8	Confident	85.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176.1	-69.9	173.4	0	0	0	111	I119 W124 S127 G457 M514 N522	I119-I518 HydrophobicContact CD1-CG2 3.3Å; I119-I518 HydrophobicContact CG2-CG2 4.14Å; W124-I518 HydrophobicContact CD2-CD1 4.46Å; W124-I518 HydrophobicContact CE3-CD1 4.15Å; W124-I518 HydrophobicContact CH2-CB 4.4Å; W124-I518 HydrophobicContact CH2-CD1 4.14Å; W124-I518 HydrophobicContact CH2-CG2 3.96Å; W124-I518 HydrophobicContact CZ2-CG2 3.6Å; W124-I518 HydrophobicContact CZ3-CD1 3.99Å; S127-I518 WeakPolarHBondContact OG-CD1 3.47Å; G457-I518 WeakPolarHBondContact O-CG1 3.45Å; M514-I518 HydrophobicContact CE-CD1 4.31Å; M514-I518 HydrophobicContact CG-CD1 3.77Å; M514-I518 HydrophobicContact CG-CG1 4.3Å; M514-I518 WeakPolarHBondContact O-CB 3.3Å; M514-I518 VanDerWaalsContact O-CG1 3.3Å; M514-I518 WeakPolarHBondContact O-CG1 3.31Å; M514-I518 PolarHBondContact O-N 3.27Å; M514-I518 HydrophobicContact SD-CD1 4.08Å; I518-N522 PolarHBondContact O-N 2.93Å
519	G	83.2	Confident	85.1	Confident	29 Å²	29	33.5 Å²	33.5	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-41.7	-178.6	0	0	0	0	0	113.2	L515 V516	L515-G519 PolarHBondContact O-N 3.07Å; V516-G519 PolarHBondContact O-N 3.39Å
520	I	81.8	Confident	84.9	Confident	37 Å²	37	32.3 Å²	32.3	19%	0.19	17%	0.173	C	C	.	.	H	α-helix	trans	-82.2	-38.3	178.9	-61.9	173	0	0	0	111	I10 V516 N522 V523 A526 I530	I10-I520 HydrophobicContact CG1-CD1 4.38Å; I10-I520 HydrophobicContact CG2-CD1 3.83Å; V516-I520 HydrophobicContact CG1-CD1 3.59Å; V516-I520 HydrophobicContact CG1-CG1 4.38Å; V516-I520 WeakPolarHBondContact O-CB 3.15Å; V516-I520 WeakPolarHBondContact O-CG1 3.37Å; V516-I520 PolarHBondContact O-N 3.44Å; I520-N522 PolarHBondContact O-N 3.48Å; I520-N522 VanDerWaalsContact O-N 3.13Å; I520-V523 PolarHBondContact O-N 3.29Å; I520-A526 HydrophobicContact CG2-CB 3.7Å; I520-I530 HydrophobicContact CB-CD1 3.93Å; I520-I530 HydrophobicContact CG2-CD1 3.72Å; I520-I530 HydrophobicContact CG2-CG1 4.47Å
521	G	73.9	Confident	84.8	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-70.4	-5.3	-175.3	0	0	0	0	0	115.4	G517 V523 S527	G517-G521 VanDerWaalsContact O-CA 3.3Å; G517-G521 WeakPolarHBondContact O-CA 3.29Å; G517-G521 PolarHBondContact O-N 3.48Å; G521-V523 PolarHBondContact O-N 3.34Å; G521-S527 WeakPolarHBondContact CA-OG 3.4Å; G521-S527 PolarHBondContact O-OG 3.16Å
522	N	68.8	Low	84.8	Confident	86 Å²	86	29.4 Å²	29.4	46%	0.46	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.9	169.3	-169.1	48	0	0	0	112.4	A113 I518 I520	A113-N522 PolarHBondContact O-ND2 2.99Å; I518-N522 PolarHBondContact O-N 2.93Å; I520-N522 PolarHBondContact O-N 3.48Å; I520-N522 VanDerWaalsContact O-N 3.13Å
523	V	72.2	Confident	84.7	Confident	42 Å²	42	26.4 Å²	26.4	26%	0.255	15%	0.145	S	C	.	.	S	Bend	trans	-96	112.4	165.5	-177	0	0	0	0	108	I520 G521 S525 A526 S527	I520-V523 PolarHBondContact O-N 3.29Å; G521-V523 PolarHBondContact O-N 3.34Å; V523-S525 PolarHBondContact O-N 3.41Å; V523-S525 VanDerWaalsContact O-N 3.14Å; V523-A526 HydrophobicContact CB-CB 3.94Å; V523-A526 HydrophobicContact CG1-CB 4.34Å; V523-A526 WeakPolarHBondContact O-CA 3.44Å; V523-A526 WeakPolarHBondContact O-CB 3.17Å; V523-A526 PolarHBondContact O-N 3.05Å; V523-S527 PolarHBondContact O-N 3.42Å
524	E	70	Confident	84.6	Confident	125 Å²	125	26.4 Å²	26.4	58%	0.584	15%	0.145	S	C	*	.	H	α-helix	trans	-53.3	-40.2	-175	-166.1	-176.8	166.7	0	0	112.7	Q462 A526 S527 Y528	Q462-E524 HydrophobicContact CG-CG 4.5Å; Q462-E524 PolarHBondContact NE2-O 3.39Å; E524-A526 VanDerWaalsContact C-N 3.31Å; E524-A526 PolarHBondContact O-N 3.15Å; E524-S527 PolarHBondContact O-N 3.38Å; E524-Y528 HydrophobicContact CG-CE2 4Å; E524-Y528 VanDerWaalsContact O-CD2 3.27Å; E524-Y528 WeakPolarHBondContact O-CD2 3.38Å; E524-Y528 WeakPolarHBondContact O-CE2 3.27Å; E524-Y528 PolarHBondContact OE1-OH 3.37Å
525	S	73.3	Confident	84.6	Confident	34 Å²	34	26.4 Å²	26.4	24%	0.238	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-39.2	174.6	-48.5	0	0	0	0	113	Q21 V523 Y528	Q21-S525 PolarHBondContact OE1-OG 2.93Å; V523-S525 PolarHBondContact O-N 3.41Å; V523-S525 VanDerWaalsContact O-N 3.14Å; S525-Y528 PolarHBondContact O-N 3.47Å
526	A	79.7	Confident	84.7	Confident	8 Å²	8	23.1 Å²	23.1	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-33.9	-174.6	0	0	0	0	0	112	I520 V523 E524 Y528 W529 I530	I520-A526 HydrophobicContact CG2-CB 3.7Å; V523-A526 HydrophobicContact CB-CB 3.94Å; V523-A526 HydrophobicContact CG1-CB 4.34Å; V523-A526 WeakPolarHBondContact O-CA 3.44Å; V523-A526 WeakPolarHBondContact O-CB 3.17Å; V523-A526 PolarHBondContact O-N 3.05Å; E524-A526 VanDerWaalsContact C-N 3.31Å; E524-A526 PolarHBondContact O-N 3.15Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; A526-Y528 PolarHBondContact O-N 3.14Å; A526-W529 PolarHBondContact O-N 3.39Å; A526-W529 VanDerWaalsContact O-N 3.16Å; A526-I530 WeakPolarHBondContact O-CG1 3.46Å; A526-I530 PolarHBondContact O-N 2.03Å
527	S	84.6	Confident	84.8	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-40	174.3	-65.3	0	0	0	0	112.5	A458 G521 V523 E524 W529 I530 F531	A458-S527 PolarHBondContact O-OG 3.07Å; G521-S527 WeakPolarHBondContact CA-OG 3.4Å; G521-S527 PolarHBondContact O-OG 3.16Å; V523-S527 PolarHBondContact O-N 3.42Å; E524-S527 PolarHBondContact O-N 3.38Å; S527-W529 VanDerWaalsContact C-N 3.3Å; S527-W529 PolarHBondContact O-N 3.18Å; S527-I530 WeakPolarHBondContact O-CB 3.37Å; S527-I530 PolarHBondContact O-N 3.41Å; S527-F531 VanDerWaalsContact O-CG 3.31Å; S527-F531 WeakPolarHBondContact O-CG 3.25Å; S527-F531 PolarHBondContact O-N 3.06Å
528	Y	87.9	Confident	84.9	Confident	32 Å²	32	22.2 Å²	22.2	13%	0.125	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-30.5	176.9	-57.8	-57.1	0	0	0	113	H179 A180 G183 E524 S525 A526 F531 A532	H179-Y528 VanDerWaalsContact O-CD1 3.29Å; H179-Y528 WeakPolarHBondContact O-CD1 3.45Å; A180-Y528 WeakPolarHBondContact CB-O 3.39Å; G183-Y528 VanDerWaalsContact CA-CE1 3.4Å; G183-Y528 WeakPolarHBondContact O-CE2 3.48Å; E524-Y528 HydrophobicContact CG-CE2 4Å; E524-Y528 VanDerWaalsContact O-CD2 3.27Å; E524-Y528 WeakPolarHBondContact O-CD2 3.38Å; E524-Y528 WeakPolarHBondContact O-CE2 3.27Å; E524-Y528 PolarHBondContact OE1-OH 3.37Å; S525-Y528 PolarHBondContact O-N 3.47Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; A526-Y528 PolarHBondContact O-N 3.14Å; Y528-F531 HydrophobicContact CD1-CD2 4.26Å; Y528-A532 PolarHBondContact O-N 2.96Å
529	W	89.6	Confident	85.1	Confident	22 Å²	22	24 Å²	24	8%	0.083	13%	0.132	C	C	.	.	H	α-helix	trans	-72.2	-38.4	171.9	-66.3	105.1	0	0	0	111.8	I20 M207 K208 V211 A526 S527 A532 I533	I20-W529 HydrophobicContact CD1-CH2 3.74Å; I20-W529 HydrophobicContact CD1-CZ2 3.46Å; I20-W529 VanDerWaalsContact CD1-CZ2 3.46Å; I20-W529 HydrophobicContact CG2-CZ2 4.46Å; M207-W529 HydrophobicContact CB-CH2 3.82Å; M207-W529 HydrophobicContact CB-CZ3 4.2Å; K208-W529 HydrophobicContact CG-CE3 4.18Å; K208-W529 HydrophobicContact CG-CH2 4.32Å; K208-W529 HydrophobicContact CG-CZ3 4.03Å; V211-W529 HydrophobicContact CB-CE3 4.07Å; V211-W529 HydrophobicContact CB-CZ3 4.2Å; V211-W529 HydrophobicContact CG1-CE3 4.19Å; V211-W529 HydrophobicContact CG2-CE3 3.64Å; V211-W529 HydrophobicContact CG2-CZ3 3.51Å; A526-W529 PolarHBondContact O-N 3.39Å; A526-W529 VanDerWaalsContact O-N 3.16Å; S527-W529 VanDerWaalsContact C-N 3.3Å; S527-W529 PolarHBondContact O-N 3.18Å; W529-A532 WeakPolarHBondContact O-CB 3.46Å; W529-A532 PolarHBondContact O-N 2.83Å; W529-I533 WeakPolarHBondContact O-CG1 3.38Å; W529-I533 PolarHBondContact O-N 2.72Å; W529-I533 VanDerWaalsContact O-N 3.07Å
530	I	89.4	Confident	85.6	Confident	11 Å²	11	23.3 Å²	23.3	6%	0.056	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-49.3	172.9	-70.3	170	0	0	0	109.9	M454 A458 I520 A526 S527 A532 I533 T534	M454-I530 HydrophobicContact CG-CD1 4.46Å; M454-I530 HydrophobicContact CG-CG2 3.75Å; M454-I530 HydrophobicContact SD-CG1 4.35Å; M454-I530 HydrophobicContact SD-CG2 3.91Å; A458-I530 HydrophobicContact CB-CB 4.21Å; A458-I530 HydrophobicContact CB-CD1 3.86Å; A458-I530 HydrophobicContact CB-CG2 3.9Å; I520-I530 HydrophobicContact CB-CD1 3.93Å; I520-I530 HydrophobicContact CG2-CD1 3.72Å; I520-I530 HydrophobicContact CG2-CG1 4.47Å; A526-I530 WeakPolarHBondContact O-CG1 3.46Å; A526-I530 PolarHBondContact O-N 2.03Å; S527-I530 WeakPolarHBondContact O-CB 3.37Å; S527-I530 PolarHBondContact O-N 3.41Å; I530-A532 VanDerWaalsContact C-N 3.27Å; I530-A532 PolarHBondContact O-N 2.79Å; I530-I533 PolarHBondContact O-N 3.19Å; I530-I533 VanDerWaalsContact O-N 3.1Å; I530-T534 PolarHBondContact O-N 2.99Å; I530-T534 PolarHBondContact O-OG1 3.19Å
531	F	91.9	Very high	85.8	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-37.5	177.6	-62.8	-24.9	0	0	0	112.9	L176 H179 A180 A458 A459 S527 Y528 A535	L176-F531 HydrophobicContact CD2-CB 4.37Å; L176-F531 HydrophobicContact CD2-CD1 3.95Å; L176-F531 HydrophobicContact CD2-CG 4.25Å; H179-F531 HydrophobicContact CB-CD2 4.09Å; A180-F531 HydrophobicContact CB-CB 4.1Å; A458-F531 HydrophobicContact CB-CE1 4.07Å; A459-F531 HydrophobicContact CB-CE1 4.02Å; A459-F531 HydrophobicContact CB-CZ 3.76Å; S527-F531 VanDerWaalsContact O-CG 3.31Å; S527-F531 WeakPolarHBondContact O-CG 3.25Å; S527-F531 PolarHBondContact O-N 3.06Å; Y528-F531 HydrophobicContact CD1-CD2 4.26Å; F531-A535 VanDerWaalsContact O-CB 3.27Å; F531-A535 WeakPolarHBondContact O-CB 3.36Å; F531-A535 PolarHBondContact O-N 3.18Å
532	A	92.4	Very high	86.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-47.1	174.4	0	0	0	0	0	111.9	A180 K208 V211 A212 Y528 W529 I530 A535 G536	A180-A532 HydrophobicContact CB-CB 3.96Å; K208-A532 HydrophobicContact CB-CB 4.31Å; K208-A532 WeakPolarHBondContact O-CB 3.39Å; V211-A532 HydrophobicContact CB-CB 4.37Å; V211-A532 HydrophobicContact CG1-CB 4Å; A212-A532 WeakPolarHBondContact CA-O 3.13Å; A212-A532 WeakPolarHBondContact CB-O 3.45Å; Y528-A532 PolarHBondContact O-N 2.96Å; W529-A532 WeakPolarHBondContact O-CB 3.46Å; W529-A532 PolarHBondContact O-N 2.83Å; I530-A532 VanDerWaalsContact C-N 3.27Å; I530-A532 PolarHBondContact O-N 2.79Å; A532-A535 PolarHBondContact O-N 3.47Å; A532-G536 PolarHBondContact O-N 3.1Å; A532-G536 VanDerWaalsContact O-N 3.14Å
533	I	92	Very high	87.7	Confident	32 Å²	32	21.4 Å²	21.4	16%	0.164	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-48.8	177.6	-63.9	175.5	0	0	0	110.3	L13 V211 W529 I530 A535 G536 T537	L13-I533 HydrophobicContact CD1-CD1 3.38Å; L13-I533 HydrophobicContact CD2-CD1 3.8Å; L13-I533 HydrophobicContact CG-CD1 4.25Å; V211-I533 HydrophobicContact CG1-CB 4.4Å; V211-I533 HydrophobicContact CG1-CD1 3.9Å; V211-I533 HydrophobicContact CG1-CG1 3.17Å; W529-I533 WeakPolarHBondContact O-CG1 3.38Å; W529-I533 PolarHBondContact O-N 2.72Å; W529-I533 VanDerWaalsContact O-N 3.07Å; I530-I533 PolarHBondContact O-N 3.19Å; I530-I533 VanDerWaalsContact O-N 3.1Å; I533-A535 VanDerWaalsContact C-N 3.34Å; I533-A535 PolarHBondContact O-N 3.2Å; I533-G536 WeakPolarHBondContact O-CA 3.49Å; I533-G536 PolarHBondContact O-N 2.75Å; I533-T537 HydrophobicContact CG2-CG2 4.45Å; I533-T537 PolarHBondContact O-N 3.24Å
534	T	92.4	Very high	88.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-40.7	-179.8	-56	0	0	0	0	111.7	L176 A455 I530 G536 T537 F538	L176-T534 HydrophobicContact CD1-CG2 3.7Å; A455-T534 HydrophobicContact CB-CG2 3.87Å; I530-T534 PolarHBondContact O-N 2.99Å; I530-T534 PolarHBondContact O-OG1 3.19Å; T534-G536 PolarHBondContact O-N 3.15Å; T534-T537 WeakPolarHBondContact CA-OG1 3.48Å; T534-T537 PolarHBondContact O-N 3.45Å; T534-T537 PolarHBondContact O-OG1 3.01Å; T534-F538 HydrophobicContact CG2-CD1 3.82Å; T534-F538 HydrophobicContact CG2-CD2 4.16Å; T534-F538 HydrophobicContact CG2-CE1 3.37Å; T534-F538 HydrophobicContact CG2-CE2 3.75Å; T534-F538 HydrophobicContact CG2-CG 4.19Å; T534-F538 HydrophobicContact CG2-CZ 3.34Å; T534-F538 WeakPolarHBondContact O-CB 3.5Å; T534-F538 WeakPolarHBondContact O-CD1 3.27Å; T534-F538 VanDerWaalsContact O-CG 3.31Å; T534-F538 WeakPolarHBondContact O-CG 2.9Å; T534-F538 PolarHBondContact O-N 2.7Å
535	A	93.9	Very high	88.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-41.4	173.3	0	0	0	0	0	111.2	A172 L176 L177 F531 A532 I533 F538 I539	A172-A535 HydrophobicContact CB-CB 4.38Å; A172-A535 WeakPolarHBondContact CB-O 3.46Å; L176-A535 HydrophobicContact CB-CB 3.89Å; L177-A535 HydrophobicContact CB-CB 4.14Å; L177-A535 HydrophobicContact CD1-CB 4.48Å; F531-A535 VanDerWaalsContact O-CB 3.27Å; F531-A535 WeakPolarHBondContact O-CB 3.36Å; F531-A535 PolarHBondContact O-N 3.18Å; A532-A535 PolarHBondContact O-N 3.47Å; I533-A535 VanDerWaalsContact C-N 3.34Å; I533-A535 PolarHBondContact O-N 3.2Å; A535-F538 PolarHBondContact O-N 2.83Å; A535-I539 WeakPolarHBondContact O-CD1 3.27Å; A535-I539 VanDerWaalsContact O-CG1 3.23Å; A535-I539 WeakPolarHBondContact O-CG1 2.99Å; A535-I539 PolarHBondContact O-N 3.4Å
536	G	93.5	Very high	89.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-47.5	173.8	0	0	0	0	0	113.9	A212 V216 A532 I533 T534 F538 I539 Y540	A212-G536 WeakPolarHBondContact O-CA 3.33Å; V216-G536 WeakPolarHBondContact CG2-O 3.48Å; A532-G536 PolarHBondContact O-N 3.1Å; A532-G536 VanDerWaalsContact O-N 3.14Å; I533-G536 WeakPolarHBondContact O-CA 3.49Å; I533-G536 PolarHBondContact O-N 2.75Å; T534-G536 PolarHBondContact O-N 3.15Å; G536-F538 VanDerWaalsContact C-N 3.31Å; G536-F538 PolarHBondContact O-N 3.01Å; G536-I539 PolarHBondContact O-N 2.83Å; G536-Y540 PolarHBondContact O-N 3.29Å
537	T	91.7	Very high	89.6	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-64.4	-39.1	178.6	58.3	0	0	0	0	111.2	F219 T451 I533 T534 Y540 I541	F219-T537 HydrophobicContact CD2-CG2 3.45Å; F219-T537 VanDerWaalsContact CD2-CG2 3.45Å; F219-T537 HydrophobicContact CE2-CG2 3.89Å; F219-T537 HydrophobicContact CG-CG2 4.3Å; T451-T537 HydrophobicContact CG2-CG2 4.2Å; I533-T537 HydrophobicContact CG2-CG2 4.45Å; I533-T537 PolarHBondContact O-N 3.24Å; T534-T537 WeakPolarHBondContact CA-OG1 3.48Å; T534-T537 PolarHBondContact O-N 3.45Å; T534-T537 PolarHBondContact O-OG1 3.01Å; T537-Y540 WeakPolarHBondContact O-CB 3.48Å; T537-Y540 PolarHBondContact O-N 2.95Å; T537-I541 WeakPolarHBondContact O-CD1 3.24Å; T537-I541 WeakPolarHBondContact O-CG1 3.34Å; T537-I541 PolarHBondContact O-N 3.32Å
538	F	92.3	Very high	89.5	Confident	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-45.3	178.4	-75.2	9.3	0	0	0	112.1	L168 D171 A172 L176 D452 H477 T534 A535 G536 Y540 I541 A542	L168-F538 VanDerWaalsContact CD2-CA 3.42Å; L168-F538 HydrophobicContact CD2-CB 3.52Å; L168-F538 HydrophobicContact CD2-CD1 4.47Å; L168-F538 HydrophobicContact CD2-CG 3.99Å; L168-F538 WeakPolarHBondContact CD2-O 3.18Å; L168-F538 HydrophobicContact CG-CB 4.48Å; D171-F538 HydrophobicContact CB-CD2 4.41Å; D171-F538 WeakPolarHBondContact OD2-CE2 3.42Å; A172-F538 HydrophobicContact CB-CB 3.77Å; L176-F538 HydrophobicContact CD1-CD2 3.58Å; L176-F538 HydrophobicContact CD1-CE2 3.54Å; L176-F538 HydrophobicContact CD1-CG 4.49Å; L176-F538 HydrophobicContact CD1-CZ 4.44Å; D452-F538 WeakPolarHBondContact OD1-CE1 3.46Å; D452-F538 WeakPolarHBondContact OD1-CZ 3.01Å; H477-F538 AromaticContact CE1-CE2 3.52Å; H477-F538 AromaticContact CE1-CZ 3.92Å; H477-F538 AromaticContact NE2-CE2 3.99Å; H477-F538 AromaticContact NE2-CZ 3.94Å; T534-F538 HydrophobicContact CG2-CD1 3.82Å; T534-F538 HydrophobicContact CG2-CD2 4.16Å; T534-F538 HydrophobicContact CG2-CE1 3.37Å; T534-F538 HydrophobicContact CG2-CE2 3.75Å; T534-F538 HydrophobicContact CG2-CG 4.19Å; T534-F538 HydrophobicContact CG2-CZ 3.34Å; T534-F538 WeakPolarHBondContact O-CB 3.5Å; T534-F538 WeakPolarHBondContact O-CD1 3.27Å; T534-F538 VanDerWaalsContact O-CG 3.31Å; T534-F538 WeakPolarHBondContact O-CG 2.9Å; T534-F538 PolarHBondContact O-N 2.7Å; A535-F538 PolarHBondContact O-N 2.83Å; G536-F538 VanDerWaalsContact C-N 3.31Å; G536-F538 PolarHBondContact O-N 3.01Å; F538-Y540 PolarHBondContact O-N 3.04Å; F538-I541 HydrophobicContact CD1-CD1 4.44Å; F538-I541 PolarHBondContact O-N 3.33Å; F538-A542 WeakPolarHBondContact O-CB 3.3Å; F538-A542 PolarHBondContact O-N 3.19Å
539	I	93.5	Very high	88.8	Confident	39 Å²	39	20.7 Å²	20.7	20%	0.2	11%	0.11	C	C	.	.	H	α-helix	trans	-55.7	-42.9	173.7	-66.7	161.8	0	0	0	111.1	A172 M173 A535 G536 L543	A172-I539 HydrophobicContact CB-CG1 3.75Å; M173-I539 HydrophobicContact CE-CD1 3.23Å; M173-I539 HydrophobicContact CE-CG1 3.93Å; M173-I539 HydrophobicContact SD-CD1 4.16Å; A535-I539 WeakPolarHBondContact O-CD1 3.27Å; A535-I539 VanDerWaalsContact O-CG1 3.23Å; A535-I539 WeakPolarHBondContact O-CG1 2.99Å; A535-I539 PolarHBondContact O-N 3.4Å; G536-I539 PolarHBondContact O-N 2.83Å; I539-L543 HydrophobicContact CG2-CD1 3.72Å; I539-L543 HydrophobicContact CG2-CG 4.36Å; I539-L543 WeakPolarHBondContact O-CB 3.45Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3.44Å
540	Y	92.1	Very high	88.3	Confident	14 Å²	14	20 Å²	20	6%	0.055	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-51.1	179.2	-173.7	-87.3	0	0	0	111.5	V216 F219 F220 E223 G536 T537 F538 A542 L543 V544	V216-Y540 HydrophobicContact CG1-CD2 3.87Å; F219-Y540 HydrophobicContact CB-CD1 3.74Å; F219-Y540 HydrophobicContact CB-CE1 4.28Å; F219-Y540 HydrophobicContact CB-CG 3.94Å; F219-Y540 AromaticContact CD1-CD1 3.84Å; F219-Y540 HydrophobicContact CD1-CD1 3.84Å; F219-Y540 HydrophobicContact CD1-CE1 4.33Å; F219-Y540 HydrophobicContact CG-CD1 4.24Å; F220-Y540 WeakPolarHBondContact CA-OH 3.47Å; F220-Y540 HydrophobicContact CB-CD2 4.31Å; F220-Y540 HydrophobicContact CB-CE2 3.55Å; F220-Y540 HydrophobicContact CD2-CE2 4.15Å; F220-Y540 HydrophobicContact CG-CE2 4.36Å; E223-Y540 WeakPolarHBondContact OE2-CE1 3.29Å; E223-Y540 VanDerWaalsContact OE2-CZ 3.23Å; E223-Y540 PolarHBondContact OE2-OH 2.83Å; G536-Y540 PolarHBondContact O-N 3.29Å; T537-Y540 WeakPolarHBondContact O-CB 3.48Å; T537-Y540 PolarHBondContact O-N 2.95Å; F538-Y540 PolarHBondContact O-N 3.04Å; Y540-A542 PolarHBondContact O-N 2.92Å; Y540-L543 PolarHBondContact O-N 3.36Å; Y540-V544 HydrophobicContact CD1-CB 4.32Å; Y540-V544 HydrophobicContact CD2-CB 4.33Å; Y540-V544 HydrophobicContact CD2-CG2 3.83Å; Y540-V544 HydrophobicContact CE1-CB 4.07Å; Y540-V544 HydrophobicContact CE1-CG1 4.12Å; Y540-V544 HydrophobicContact CE2-CB 4.07Å; Y540-V544 HydrophobicContact CE2-CG1 4.09Å; Y540-V544 HydrophobicContact CE2-CG2 3.76Å; Y540-V544 HydrophobicContact CG-CB 4.45Å; Y540-V544 HydrophobicContact CG-CG2 4.3Å; Y540-V544 WeakPolarHBondContact O-CA 3.28Å; Y540-V544 VanDerWaalsContact O-CB 3.23Å; Y540-V544 WeakPolarHBondContact O-CB 3Å; Y540-V544 PolarHBondContact O-N 2.99Å
541	I	87.7	Confident	87.6	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.015	14%	0.139	C	C	.	.	I	π-helix	trans	-59.9	-47.8	-179.9	-64.8	154.9	0	0	0	110.6	L168 F219 H448 H481 T537 F538 L543 D545 M546	L168-I541 HydrophobicContact CD1-CG2 3.98Å; L168-I541 HydrophobicContact CD2-CB 4.21Å; L168-I541 HydrophobicContact CD2-CG2 4.44Å; F219-I541 HydrophobicContact CD1-CD1 4.41Å; F219-I541 HydrophobicContact CD1-CG1 3.96Å; F219-I541 HydrophobicContact CE1-CD1 3.74Å; F219-I541 HydrophobicContact CE1-CG1 3.58Å; F219-I541 HydrophobicContact CZ-CD1 3.84Å; F219-I541 HydrophobicContact CZ-CG1 4.22Å; H448-I541 HydrophobicContact CB-CD1 3.39Å; H448-I541 HydrophobicContact CB-CG1 4.41Å; H481-I541 WeakPolarHBondContact NE2-CG2 3.4Å; T537-I541 WeakPolarHBondContact O-CD1 3.24Å; T537-I541 WeakPolarHBondContact O-CG1 3.34Å; T537-I541 PolarHBondContact O-N 3.32Å; F538-I541 HydrophobicContact CD1-CD1 4.44Å; F538-I541 PolarHBondContact O-N 3.33Å; I541-L543 PolarHBondContact O-N 3.35Å; I541-D545 VanDerWaalsContact O-CB 3.28Å; I541-D545 WeakPolarHBondContact O-CB 3.4Å; I541-D545 PolarHBondContact O-N 2.58Å; I541-D545 VanDerWaalsContact O-N 3.13Å; I541-M546 HydrophobicContact CG2-CG 4.47Å; I541-M546 PolarHBondContact O-N 3.41Å
542	A	90.1	Very high	86.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-60.7	-46.9	-179	0	0	0	0	0	112.4	V165 L168 T169 F538 Y540 L547	V165-A542 HydrophobicContact CG1-CB 4.47Å; L168-A542 HydrophobicContact CB-CB 4.19Å; L168-A542 HydrophobicContact CD2-CB 3.71Å; T169-A542 VanDerWaalsContact OG1-CB 3.26Å; T169-A542 WeakPolarHBondContact OG1-CB 3.36Å; F538-A542 WeakPolarHBondContact O-CB 3.3Å; F538-A542 PolarHBondContact O-N 3.19Å; Y540-A542 PolarHBondContact O-N 2.92Å; A542-L547 VanDerWaalsContact O-CB 3.32Å; A542-L547 WeakPolarHBondContact O-CB 3.41Å; A542-L547 PolarHBondContact O-N 2.84Å
543	L	90.6	Very high	85.2	Confident	81 Å²	81	30.4 Å²	30.4	42%	0.424	17%	0.17	S	C	.	.	I	π-helix	trans	-90.6	-31.2	-170.2	-61.4	-177	0	0	0	114	I539 Y540 I541 L547	I539-L543 HydrophobicContact CG2-CD1 3.72Å; I539-L543 HydrophobicContact CG2-CG 4.36Å; I539-L543 WeakPolarHBondContact O-CB 3.45Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 3.44Å; Y540-L543 PolarHBondContact O-N 3.36Å; I541-L543 PolarHBondContact O-N 3.35Å; L543-L547 HydrophobicContact CD2-CD2 4.17Å
544	V	87.7	Confident	83.7	Confident	62 Å²	62	37.2 Å²	37.2	38%	0.376	20%	0.201	S	C	.	.	I	π-helix	trans	-100	-36.2	-174.3	-176.2	0	0	0	0	112	Y540 P548	Y540-V544 HydrophobicContact CD1-CB 4.32Å; Y540-V544 HydrophobicContact CD2-CB 4.33Å; Y540-V544 HydrophobicContact CD2-CG2 3.83Å; Y540-V544 HydrophobicContact CE1-CB 4.07Å; Y540-V544 HydrophobicContact CE1-CG1 4.12Å; Y540-V544 HydrophobicContact CE2-CB 4.07Å; Y540-V544 HydrophobicContact CE2-CG1 4.09Å; Y540-V544 HydrophobicContact CE2-CG2 3.76Å; Y540-V544 HydrophobicContact CG-CB 4.45Å; Y540-V544 HydrophobicContact CG-CG2 4.3Å; Y540-V544 WeakPolarHBondContact O-CA 3.28Å; Y540-V544 VanDerWaalsContact O-CB 3.23Å; Y540-V544 WeakPolarHBondContact O-CB 3Å; Y540-V544 PolarHBondContact O-N 2.99Å; V544-P548 WeakPolarHBondContact O-CD 3.38Å; V544-P548 VanDerWaalsContact O-CG 3.31Å; V544-P548 WeakPolarHBondContact O-CG 3.29Å
545	D	81.4	Confident	82.4	Confident	44 Å²	44	40.4 Å²	40.4	24%	0.235	22%	0.218	C	C	.	.	I	π-helix	trans	-92.1	-59	-177.7	-152.9	4.2	0	0	0	110.9	I541	I541-D545 VanDerWaalsContact O-CB 3.28Å; I541-D545 WeakPolarHBondContact O-CB 3.4Å; I541-D545 PolarHBondContact O-N 2.58Å; I541-D545 VanDerWaalsContact O-N 3.13Å
546	M	80.7	Confident	80.8	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.239	C	C	.	.	I	π-helix	trans	-80.9	-41.8	-170.4	-67.3	-68.4	111.2	0	0	113.9	V165 H481 I541 E549	V165-M546 HydrophobicContact CG2-CB 3.52Å; H481-M546 VanDerWaalsContact CD2-SD 3.55Å; I541-M546 HydrophobicContact CG2-CG 4.47Å; I541-M546 PolarHBondContact O-N 3.41Å; M546-E549 VanDerWaalsContact O-CB 3.29Å; M546-E549 WeakPolarHBondContact O-CB 3.38Å; M546-E549 PolarHBondContact O-N 2.98Å
547	L	85.9	Confident	78.8	Confident	61 Å²	61	52.3 Å²	52.3	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-41.5	-176.3	-175.2	69.9	0	0	0	113.1	V165 A542 L543 E549 L550	V165-L547 HydrophobicContact CG1-CB 4.37Å; V165-L547 HydrophobicContact CG1-CD1 4.07Å; V165-L547 HydrophobicContact CG2-CB 4.46Å; A542-L547 VanDerWaalsContact O-CB 3.32Å; A542-L547 WeakPolarHBondContact O-CB 3.41Å; A542-L547 PolarHBondContact O-N 2.84Å; L543-L547 HydrophobicContact CD2-CD2 4.17Å; L547-E549 PolarHBondContact O-N 3.43Å; L547-L550 HydrophobicContact CD1-CD1 3.92Å; L547-L550 WeakPolarHBondContact O-CB 3.5Å; L547-L550 PolarHBondContact O-N 3.44Å
548	P	82.9	Confident	77.4	Confident	38 Å²	38	56.3 Å²	56.3	25%	0.247	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-28.2	173.4	-26.7	38.8	0	0	0	113.9	V544 L550 N551 S552	V544-P548 WeakPolarHBondContact O-CD 3.38Å; V544-P548 VanDerWaalsContact O-CG 3.31Å; V544-P548 WeakPolarHBondContact O-CG 3.29Å; P548-L550 VanDerWaalsContact C-N 3.27Å; P548-L550 PolarHBondContact O-N 2.94Å; P548-N551 PolarHBondContact O-N 3.27Å; P548-N551 VanDerWaalsContact O-N 3.11Å; P548-S552 PolarHBondContact O-N 3.17Å
549	E	74.2	Confident	76.2	Confident	19 Å²	19	57.9 Å²	57.9	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-35.2	176.7	-163.4	-179.1	172.6	0	0	111.6	V488 M546 L547 N551 S552 L553	V488-E549 WeakPolarHBondContact CG2-OE1 3.41Å; M546-E549 VanDerWaalsContact O-CB 3.29Å; M546-E549 WeakPolarHBondContact O-CB 3.38Å; M546-E549 PolarHBondContact O-N 2.98Å; L547-E549 PolarHBondContact O-N 3.43Å; E549-N551 PolarHBondContact O-N 3.44Å; E549-N551 VanDerWaalsContact O-N 3.16Å; E549-S552 PolarHBondContact O-N 2.9Å; E549-S552 VanDerWaalsContact O-N 3.13Å; E549-S552 PolarHBondContact O-OG 2.75Å; E549-S552 VanDerWaalsContact O-OG 3.13Å; E549-L553 WeakPolarHBondContact O-CG 3.49Å; E549-L553 PolarHBondContact O-N 2.88Å
550	L	77.8	Confident	75.6	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-30	174.9	-62.4	178.6	0	0	0	113.1	V161 A162 V165 L547 P548 Q568 L572	V161-L550 HydrophobicContact CB-CD2 3.69Å; V161-L550 HydrophobicContact CG1-CD2 3.48Å; V161-L550 VanDerWaalsContact CG1-CD2 3.48Å; V161-L550 HydrophobicContact CG1-CG 4Å; A162-L550 HydrophobicContact CB-CD1 4.03Å; A162-L550 HydrophobicContact CB-CD2 3.93Å; V165-L550 HydrophobicContact CG2-CD1 4.16Å; L547-L550 HydrophobicContact CD1-CD1 3.92Å; L547-L550 WeakPolarHBondContact O-CB 3.5Å; L547-L550 PolarHBondContact O-N 3.44Å; P548-L550 VanDerWaalsContact C-N 3.27Å; P548-L550 PolarHBondContact O-N 2.94Å; L550-Q568 PolarHBondContact O-NE2 2.97Å; L550-L572 HydrophobicContact CD1-CD1 4.5Å
551	N	75.7	Confident	75	Confident	134 Å²	134	69.3 Å²	69.3	72%	0.717	38%	0.379	S	S	*	.	H	α-helix	trans	-87.6	-23.3	179.9	-66.3	-36.5	0	0	0	112.9	P548 E549	P548-N551 PolarHBondContact O-N 3.27Å; P548-N551 VanDerWaalsContact O-N 3.11Å; E549-N551 PolarHBondContact O-N 3.44Å; E549-N551 VanDerWaalsContact O-N 3.16Å
552	S	67.7	Low	74.8	Confident	81 Å²	81	75 Å²	75	57%	0.566	41%	0.408	S	S	*	.	H	α-helix	trans	-88.6	-13.5	-176	73.7	0	0	0	0	113.9	P548 E549 E554	P548-S552 PolarHBondContact O-N 3.17Å; E549-S552 PolarHBondContact O-N 2.9Å; E549-S552 VanDerWaalsContact O-N 3.13Å; E549-S552 PolarHBondContact O-OG 2.75Å; E549-S552 VanDerWaalsContact O-OG 3.13Å; S552-E554 PolarHBondContact O-N 3.38Å
553	L	65.5	Low	74.6	Confident	19 Å²	19	76 Å²	76	10%	0.099	42%	0.418	C	S	.	.	S	Bend	trans	-70.2	101.7	179.8	-69.7	172.6	0	0	0	111.6	I157 Q158 E549 L555	I157-L553 HydrophobicContact CG2-CD1 4.48Å; Q158-L553 HydrophobicContact CG-CB 4.32Å; Q158-L553 HydrophobicContact CG-CD1 3.58Å; E549-L553 WeakPolarHBondContact O-CG 3.49Å; E549-L553 PolarHBondContact O-N 2.88Å; L553-L555 PolarHBondContact O-N 3.2Å
554	E	61.2	Low	74.2	Confident	174 Å²	174	73 Å²	73	81%	0.813	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-51	129.7	179.7	-64.5	-174.6	158.9	0	0	113	S552 R556	S552-E554 PolarHBondContact O-N 3.38Å; E554-R556 PolarHBondContact O-N 3.47Å
555	L	64.2	Low	74.2	Confident	68 Å²	68	76.5 Å²	76.5	36%	0.356	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-59.2	120.4	171	-75.5	138.6	0	0	0	110	L553 Q559 R561 Q564	L553-L555 PolarHBondContact O-N 3.2Å; L555-Q559 HydrophobicContact CD2-CB 4.31Å; L555-R561 HydrophobicContact CD1-CG 3.86Å; L555-R561 HydrophobicContact CD2-CG 4.25Å; L555-Q564 HydrophobicContact CD2-CG 3.89Å
556	R	61	Low	74.7	Confident	116 Å²	116	78.8 Å²	78.8	44%	0.438	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.4	140.8	168.8	-156.9	174.6	-171.9	173.3	7	109.2	K150 E554 G558 Q559	K150-R556 PolarHBondContact O-NH1 3.31Å; E554-R556 PolarHBondContact O-N 3.47Å; R556-G558 PolarHBondContact O-N 2.81Å; R556-Q559 PolarHBondContact O-N 2.84Å
557	P	50.7	Low	75.1	Confident	134 Å²	134	80.6 Å²	80.6	87%	0.87	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	112.5	174.4	19.4	-31.7	0	0	0	110.3
558	G	61.9	Low	75.4	Confident	84 Å²	84	79 Å²	79	87%	0.866	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.1	-14.4	-177.4	0	0	0	0	0	115.2	R556	R556-G558 PolarHBondContact O-N 2.81Å
559	Q	68.5	Low	75.8	Confident	35 Å²	35	79.8 Å²	79.8	16%	0.164	43%	0.428	C	S	.	.			trans	-89.1	133.7	176.5	-160.6	172.6	5.2	0	0	111.1	L555 R556 Q564	L555-Q559 HydrophobicContact CD2-CB 4.31Å; R556-Q559 PolarHBondContact O-N 2.84Å; Q559-Q564 HydrophobicContact CG-CG 3.9Å
560	T	79.4	Confident	76.8	Confident	90 Å²	90	82.1 Å²	82.1	55%	0.552	44%	0.444	S	S	*	.			trans	-77.6	140.5	174.2	60.3	0	0	0	0	109.6	I562 G563 Q564	T560-I562 PolarHBondContact O-N 3.34Å; T560-G563 PolarHBondContact O-N 3.18Å; T560-G563 PolarHBondContact OG1-N 2.79Å; T560-Q564 PolarHBondContact O-N 3.36Å
561	R	80	Confident	77.5	Confident	202 Å²	202	81.8 Å²	81.8	76%	0.762	44%	0.442	S	S	*	.	H	α-helix	trans	-55	-37.1	173.6	-65.3	-171.5	179.6	-179.4	-1	111.8	L555 Q564 F565	L555-R561 HydrophobicContact CD1-CG 3.86Å; L555-R561 HydrophobicContact CD2-CG 4.25Å; R561-Q564 PolarHBondContact O-N 2.89Å; R561-F565 PolarHBondContact O-N 3.33Å; R561-F565 VanDerWaalsContact O-N 3.1Å
562	I	84.4	Confident	78.3	Confident	123 Å²	123	77.9 Å²	77.9	63%	0.631	42%	0.421	S	S	*	.	H	α-helix	trans	-65.2	-41.2	176.7	-61.2	159.2	0	0	0	111	T560 Q564 F565 I566	T560-I562 PolarHBondContact O-N 3.34Å; I562-Q564 VanDerWaalsContact C-N 3.35Å; I562-Q564 PolarHBondContact O-N 2.9Å; I562-F565 PolarHBondContact O-N 2.84Å; I562-I566 HydrophobicContact CG2-CD1 3.88Å; I562-I566 HydrophobicContact CG2-CG1 4.43Å; I562-I566 VanDerWaalsContact O-CG1 3.3Å; I562-I566 WeakPolarHBondContact O-CG1 3.3Å; I562-I566 PolarHBondContact O-N 3.41Å
563	G	84.4	Confident	79.6	Confident	20 Å²	20	78.1 Å²	78.1	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-62.8	-40.1	178	0	0	0	0	0	112.6	T560 I566 I567	T560-G563 PolarHBondContact O-N 3.18Å; T560-G563 PolarHBondContact OG1-N 2.79Å; G563-I566 PolarHBondContact O-N 3.29Å; G563-I567 VanDerWaalsContact O-CG1 3.26Å; G563-I567 WeakPolarHBondContact O-CG1 3.36Å; G563-I567 PolarHBondContact O-N 2.96Å
564	Q	83.3	Confident	80.9	Confident	18 Å²	18	79.5 Å²	79.5	8%	0.084	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-47.7	173.5	-73.8	-169.2	-20.8	0	0	112.1	L555 Q559 T560 R561 I562 I566 I567 Q568	L555-Q564 HydrophobicContact CD2-CG 3.89Å; Q559-Q564 HydrophobicContact CG-CG 3.9Å; T560-Q564 PolarHBondContact O-N 3.36Å; R561-Q564 PolarHBondContact O-N 2.89Å; I562-Q564 VanDerWaalsContact C-N 3.35Å; I562-Q564 PolarHBondContact O-N 2.9Å; Q564-I566 VanDerWaalsContact C-N 3.28Å; Q564-I566 PolarHBondContact O-N 3.38Å; Q564-I567 PolarHBondContact O-N 2.93Å; Q564-I567 VanDerWaalsContact O-N 3.15Å; Q564-Q568 WeakPolarHBondContact O-CB 3.33Å; Q564-Q568 WeakPolarHBondContact O-CG 3.27Å; Q564-Q568 PolarHBondContact O-N 3.39Å
565	F	87.7	Confident	82.4	Confident	137 Å²	137	71.2 Å²	71.2	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-56.8	-42.4	177.4	176.8	-99.8	0	0	0	112.1	R561 I562 T569	R561-F565 PolarHBondContact O-N 3.33Å; R561-F565 VanDerWaalsContact O-N 3.1Å; I562-F565 PolarHBondContact O-N 2.84Å; F565-T569 VanDerWaalsContact O-CB 3.31Å; F565-T569 WeakPolarHBondContact O-CB 3.09Å; F565-T569 PolarHBondContact O-N 2.65Å; F565-T569 PolarHBondContact O-OG1 3.21Å
566	I	91.2	Very high	83.8	Confident	92 Å²	92	70.8 Å²	70.8	47%	0.472	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-49.1	176	-68.2	167.2	0	0	0	110.5	I562 G563 Q564 Q568 T569 V570	I562-I566 HydrophobicContact CG2-CD1 3.88Å; I562-I566 HydrophobicContact CG2-CG1 4.43Å; I562-I566 VanDerWaalsContact O-CG1 3.3Å; I562-I566 WeakPolarHBondContact O-CG1 3.3Å; I562-I566 PolarHBondContact O-N 3.41Å; G563-I566 PolarHBondContact O-N 3.29Å; Q564-I566 VanDerWaalsContact C-N 3.28Å; Q564-I566 PolarHBondContact O-N 3.38Å; I566-Q568 VanDerWaalsContact C-N 3.34Å; I566-Q568 PolarHBondContact O-N 3.24Å; I566-T569 PolarHBondContact O-N 3.19Å; I566-V570 HydrophobicContact CG2-CG2 4.21Å; I566-V570 WeakPolarHBondContact O-CB 3.43Å; I566-V570 WeakPolarHBondContact O-CG2 3.24Å; I566-V570 PolarHBondContact O-N 3.23Å
567	I	90.3	Very high	85.2	Confident	40 Å²	40	66.7 Å²	66.7	21%	0.205	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-45.7	-179.5	-70.4	166.6	0	0	0	111.1	Q155 Y159 G563 Q564 V570 G571	Q155-I567 HydrophobicContact CB-CD1 4.26Å; Q155-I567 HydrophobicContact CG-CD1 4.05Å; Y159-I567 HydrophobicContact CD2-CG2 4.47Å; G563-I567 VanDerWaalsContact O-CG1 3.26Å; G563-I567 WeakPolarHBondContact O-CG1 3.36Å; G563-I567 PolarHBondContact O-N 2.96Å; Q564-I567 PolarHBondContact O-N 2.93Å; Q564-I567 VanDerWaalsContact O-N 3.15Å; I567-V570 PolarHBondContact O-N 3.24Å; I567-G571 PolarHBondContact O-N 3.48Å
568	Q	90.6	Very high	87.1	Confident	26 Å²	26	63 Å²	63	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-44	178.2	-70.3	173.3	-15.6	0	0	111.7	A162 L550 Q564 I566 V570 G571 L572	A162-Q568 HydrophobicContact CB-CB 4.29Å; A162-Q568 WeakPolarHBondContact CB-O 3.37Å; L550-Q568 PolarHBondContact O-NE2 2.97Å; Q564-Q568 WeakPolarHBondContact O-CB 3.33Å; Q564-Q568 WeakPolarHBondContact O-CG 3.27Å; Q564-Q568 PolarHBondContact O-N 3.39Å; I566-Q568 VanDerWaalsContact C-N 3.34Å; I566-Q568 PolarHBondContact O-N 3.24Å; Q568-V570 VanDerWaalsContact C-N 3.33Å; Q568-V570 PolarHBondContact O-N 3.37Å; Q568-G571 PolarHBondContact O-N 3.46Å; Q568-L572 WeakPolarHBondContact O-CB 3.47Å; Q568-L572 PolarHBondContact O-N 3.42Å
569	T	92.2	Very high	88.4	Confident	55 Å²	55	59 Å²	59	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.8	-58.8	0	0	0	0	111	F565 I566 L572 T573	F565-T569 VanDerWaalsContact O-CB 3.31Å; F565-T569 WeakPolarHBondContact O-CB 3.09Å; F565-T569 PolarHBondContact O-N 2.65Å; F565-T569 PolarHBondContact O-OG1 3.21Å; I566-T569 PolarHBondContact O-N 3.19Å; T569-L572 PolarHBondContact O-N 3.34Å; T569-T573 HydrophobicContact CG2-CG2 4.28Å; T569-T573 WeakPolarHBondContact O-CB 3.36Å; T569-T573 VanDerWaalsContact O-CG2 3.31Å; T569-T573 WeakPolarHBondContact O-CG2 3.38Å; T569-T573 PolarHBondContact O-N 3.29Å; T569-T573 PolarHBondContact O-OG1 3.25Å
570	V	94.3	Very high	89.4	Confident	69 Å²	69	61.2 Å²	61.2	42%	0.418	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-40.7	176.7	176.2	0	0	0	0	110.6	Y159 I566 I567 Q568 T573 T574	Y159-V570 HydrophobicContact CE2-CG1 4.11Å; I566-V570 HydrophobicContact CG2-CG2 4.21Å; I566-V570 WeakPolarHBondContact O-CB 3.43Å; I566-V570 WeakPolarHBondContact O-CG2 3.24Å; I566-V570 PolarHBondContact O-N 3.23Å; I567-V570 PolarHBondContact O-N 3.24Å; Q568-V570 VanDerWaalsContact C-N 3.33Å; Q568-V570 PolarHBondContact O-N 3.37Å; V570-T573 WeakPolarHBondContact CA-OG1 3.47Å; V570-T573 PolarHBondContact O-OG1 3.31Å; V570-T574 WeakPolarHBondContact O-CB 3.41Å; V570-T574 PolarHBondContact O-N 2.68Å; V570-T574 PolarHBondContact O-OG1 3.16Å
571	G	92.7	Very high	89.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-55.1	173.5	0	0	0	0	0	112.2	L163 I567 Q568 T573 T574 G575	L163-G571 WeakPolarHBondContact CA-O 3.17Å; I567-G571 PolarHBondContact O-N 3.48Å; Q568-G571 PolarHBondContact O-N 3.46Å; G571-T573 PolarHBondContact O-N 3.3Å; G571-T574 PolarHBondContact O-N 3.21Å; G571-G575 PolarHBondContact O-N 3.06Å
572	L	93.4	Very high	90	Very high	52 Å²	52	52 Å²	52	27%	0.272	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-50.6	178	-87.8	155.9	0	0	0	112.4	A162 V165 L550 Q568 T569 T574 G575 V576	A162-L572 HydrophobicContact CB-CG 4.26Å; A162-L572 WeakPolarHBondContact O-CA 3.22Å; A162-L572 PolarHBondContact O-N 3.36Å; V165-L572 HydrophobicContact CB-CD2 3.97Å; V165-L572 HydrophobicContact CG1-CD2 3.69Å; L550-L572 HydrophobicContact CD1-CD1 4.5Å; Q568-L572 WeakPolarHBondContact O-CB 3.47Å; Q568-L572 PolarHBondContact O-N 3.42Å; T569-L572 PolarHBondContact O-N 3.34Å; L572-T574 VanDerWaalsContact C-N 3.33Å; L572-T574 PolarHBondContact O-N 2.81Å; L572-G575 PolarHBondContact O-N 3.24Å; L572-V576 WeakPolarHBondContact O-CG2 3.48Å; L572-V576 PolarHBondContact O-N 3.12Å
573	T	94.8	Very high	90	Very high	87 Å²	87	47.5 Å²	47.5	53%	0.534	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-35.2	-179.5	52.3	0	0	0	0	112.2	T569 V570 G571 G577	T569-T573 HydrophobicContact CG2-CG2 4.28Å; T569-T573 WeakPolarHBondContact O-CB 3.36Å; T569-T573 VanDerWaalsContact O-CG2 3.31Å; T569-T573 WeakPolarHBondContact O-CG2 3.38Å; T569-T573 PolarHBondContact O-N 3.29Å; T569-T573 PolarHBondContact O-OG1 3.25Å; V570-T573 WeakPolarHBondContact CA-OG1 3.47Å; V570-T573 PolarHBondContact O-OG1 3.31Å; G571-T573 PolarHBondContact O-N 3.3Å; T573-G577 PolarHBondContact O-N 3.43Å
574	T	93.4	Very high	90	Very high	47 Å²	47	52.2 Å²	52.2	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-42.9	174.4	-58.5	0	0	0	0	110.9	L163 V570 G571 L572 G577 I578	L163-T574 HydrophobicContact CD1-CG2 3.84Å; V570-T574 WeakPolarHBondContact O-CB 3.41Å; V570-T574 PolarHBondContact O-N 2.68Å; V570-T574 PolarHBondContact O-OG1 3.16Å; G571-T574 PolarHBondContact O-N 3.21Å; L572-T574 VanDerWaalsContact C-N 3.33Å; L572-T574 PolarHBondContact O-N 2.81Å; T574-G577 PolarHBondContact O-N 2.98Å; T574-I578 HydrophobicContact CG2-CD1 3.97Å; T574-I578 HydrophobicContact CG2-CG1 4.42Å; T574-I578 VanDerWaalsContact O-CG1 3.27Å; T574-I578 WeakPolarHBondContact O-CG1 3.36Å; T574-I578 PolarHBondContact O-N 3.1Å
575	G	92	Very high	89.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-47.3	177.8	0	0	0	0	0	113.2	T167 G571 L572 G577 I578 M579	T167-G575 VanDerWaalsContact CG2-CA 3.41Å; T167-G575 WeakPolarHBondContact CG2-O 3.08Å; G571-G575 PolarHBondContact O-N 3.06Å; L572-G575 PolarHBondContact O-N 3.24Å; G575-G577 VanDerWaalsContact C-N 3.28Å; G575-G577 PolarHBondContact O-N 3.35Å; G575-I578 PolarHBondContact O-N 3.06Å; G575-M579 PolarHBondContact O-N 3Å; G575-M579 VanDerWaalsContact O-N 3.14Å
576	V	92.7	Very high	89.2	Confident	60 Å²	60	50.7 Å²	50.7	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-40	173.2	174.8	0	0	0	0	110.8	G166 L174 L572 M579 L580	G166-V576 WeakPolarHBondContact O-CG2 2.9Å; G166-V576 PolarHBondContact O-N 3.15Å; L174-V576 HydrophobicContact CD1-CG1 4.36Å; L572-V576 WeakPolarHBondContact O-CG2 3.48Å; L572-V576 PolarHBondContact O-N 3.12Å; V576-M579 PolarHBondContact O-N 2.93Å; V576-L580 VanDerWaalsContact O-CB 3.31Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 PolarHBondContact O-N 3.44Å
577	G	92.3	Very high	88.2	Confident	29 Å²	29	51.7 Å²	51.7	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-43.7	177.5	0	0	0	0	0	113.2	T573 T574 G575 M579 L580 V581	T573-G577 PolarHBondContact O-N 3.43Å; T574-G577 PolarHBondContact O-N 2.98Å; G575-G577 VanDerWaalsContact C-N 3.28Å; G575-G577 PolarHBondContact O-N 3.35Å; G577-M579 VanDerWaalsContact C-N 3.34Å; G577-M579 PolarHBondContact O-N 3.48Å; G577-L580 PolarHBondContact O-N 3.49Å; G577-V581 VanDerWaalsContact O-CG2 3.28Å; G577-V581 WeakPolarHBondContact O-CG2 3.48Å; G577-V581 PolarHBondContact O-N 3.34Å
578	I	88.7	Confident	87.2	Confident	58 Å²	58	52.8 Å²	52.8	30%	0.297	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-48	175.3	-70.3	163.8	0	0	0	109.9	L163 C476 T574 G575 V581 I582	L163-I578 HydrophobicContact CD1-CD1 4.27Å; C476-I578 HydrophobicContact CB-CG2 4.29Å; T574-I578 HydrophobicContact CG2-CD1 3.97Å; T574-I578 HydrophobicContact CG2-CG1 4.42Å; T574-I578 VanDerWaalsContact O-CG1 3.27Å; T574-I578 WeakPolarHBondContact O-CG1 3.36Å; T574-I578 PolarHBondContact O-N 3.1Å; G575-I578 PolarHBondContact O-N 3.06Å; I578-V581 PolarHBondContact O-N 2.87Å; I578-I582 HydrophobicContact CG2-CD1 3.92Å; I578-I582 WeakPolarHBondContact O-CG1 3.38Å; I578-I582 PolarHBondContact O-N 2.94Å
579	M	89.6	Confident	85.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.4	-37.4	-179.6	-70.7	-59.3	-172.2	0	0	113.4	T167 D171 A473 C476 G575 V576 G577 V581 I582 A583	T167-M579 HydrophobicContact CG2-CE 4.28Å; T167-M579 HydrophobicContact CG2-CG 4.34Å; T167-M579 WeakPolarHBondContact O-CE 3.43Å; T167-M579 VanDerWaalsContact O-CG 3.28Å; T167-M579 WeakPolarHBondContact O-CG 3.27Å; D171-M579 HydrophobicContact CB-CE 3.8Å; D171-M579 HydrophobicContact CB-SD 4.12Å; A473-M579 HydrophobicContact CB-CE 4.02Å; A473-M579 HydrophobicContact CB-SD 3.98Å; A473-M579 WeakPolarHBondContact O-CE 2.97Å; C476-M579 HydrophobicContact CB-CE 3.98Å; G575-M579 PolarHBondContact O-N 3Å; G575-M579 VanDerWaalsContact O-N 3.14Å; V576-M579 PolarHBondContact O-N 2.93Å; G577-M579 VanDerWaalsContact C-N 3.34Å; G577-M579 PolarHBondContact O-N 3.48Å; M579-V581 VanDerWaalsContact C-N 3.31Å; M579-V581 PolarHBondContact O-N 3.4Å; M579-I582 PolarHBondContact O-N 3.42Å; M579-I582 HydrophobicContact SD-CD1 4.03Å; M579-A583 WeakPolarHBondContact O-CB 3.47Å; M579-A583 PolarHBondContact O-N 2.82Å
580	L	90.3	Very high	84.5	Confident	80 Å²	80	55.5 Å²	55.5	42%	0.419	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-42	173.3	179.4	64.4	0	0	0	111.3	L174 V576 G577 A583 L584	L174-L580 HydrophobicContact CD1-CB 4.02Å; L174-L580 HydrophobicContact CD1-CD1 4.18Å; V576-L580 VanDerWaalsContact O-CB 3.31Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 PolarHBondContact O-N 3.44Å; G577-L580 PolarHBondContact O-N 3.49Å; L580-A583 PolarHBondContact O-N 3.3Å; L580-L584 HydrophobicContact CD1-CD1 4.02Å; L580-L584 HydrophobicContact CD1-CG 4.17Å; L580-L584 HydrophobicContact CG-CD1 4.01Å; L580-L584 WeakPolarHBondContact O-CB 3.36Å; L580-L584 VanDerWaalsContact O-CG 3.27Å; L580-L584 WeakPolarHBondContact O-CG 3.41Å; L580-L584 PolarHBondContact O-N 3.2Å
581	V	87.6	Confident	82.9	Confident	80 Å²	80	57.8 Å²	57.8	49%	0.485	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-48	175.5	169.8	0	0	0	0	110.1	G577 I578 M579 A583 L584 F585	G577-V581 VanDerWaalsContact O-CG2 3.28Å; G577-V581 WeakPolarHBondContact O-CG2 3.48Å; G577-V581 PolarHBondContact O-N 3.34Å; I578-V581 PolarHBondContact O-N 2.87Å; M579-V581 VanDerWaalsContact C-N 3.31Å; M579-V581 PolarHBondContact O-N 3.4Å; V581-A583 PolarHBondContact O-N 2.92Å; V581-L584 PolarHBondContact O-N 3.39Å; V581-F585 HydrophobicContact CG1-CD2 3.71Å; V581-F585 HydrophobicContact CG1-CE2 4.07Å; V581-F585 WeakPolarHBondContact O-CB 3.35Å; V581-F585 VanDerWaalsContact O-CD2 3.24Å; V581-F585 WeakPolarHBondContact O-CD2 3.26Å; V581-F585 PolarHBondContact O-N 3.48Å
582	I	84.6	Confident	81.4	Confident	19 Å²	19	64.4 Å²	64.4	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-58	-49	177.8	-66.8	166.2	0	0	0	110.7	V472 I578 M579 L584 F585 E586	V472-I582 HydrophobicContact CG1-CD1 4.11Å; I578-I582 HydrophobicContact CG2-CD1 3.92Å; I578-I582 WeakPolarHBondContact O-CG1 3.38Å; I578-I582 PolarHBondContact O-N 2.94Å; M579-I582 PolarHBondContact O-N 3.42Å; M579-I582 HydrophobicContact SD-CD1 4.03Å; I582-L584 VanDerWaalsContact C-N 3.35Å; I582-L584 PolarHBondContact O-N 2.95Å; I582-F585 PolarHBondContact O-N 2.98Å; I582-E586 PolarHBondContact O-N 3.39Å
583	A	84.2	Confident	79.8	Confident	28 Å²	28	64.9 Å²	64.9	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-36.9	-179.1	0	0	0	0	0	113.3	L174 M579 L580 V581	L174-A583 HydrophobicContact CB-CB 4.31Å; L174-A583 WeakPolarHBondContact O-CB 3.4Å; M579-A583 WeakPolarHBondContact O-CB 3.47Å; M579-A583 PolarHBondContact O-N 2.82Å; L580-A583 PolarHBondContact O-N 3.3Å; V581-A583 PolarHBondContact O-N 2.92Å
584	L	84.8	Confident	77.9	Confident	120 Å²	120	68.6 Å²	68.6	63%	0.628	38%	0.38	S	S	*	.	H	α-helix	trans	-77.3	-32.7	178.7	-72	175.1	0	0	0	113.4	L580 V581 I582	L580-L584 HydrophobicContact CD1-CD1 4.02Å; L580-L584 HydrophobicContact CD1-CG 4.17Å; L580-L584 HydrophobicContact CG-CD1 4.01Å; L580-L584 WeakPolarHBondContact O-CB 3.36Å; L580-L584 VanDerWaalsContact O-CG 3.27Å; L580-L584 WeakPolarHBondContact O-CG 3.41Å; L580-L584 PolarHBondContact O-N 3.2Å; V581-L584 PolarHBondContact O-N 3.39Å; I582-L584 VanDerWaalsContact C-N 3.35Å; I582-L584 PolarHBondContact O-N 2.95Å
585	F	81.4	Confident	77.1	Confident	115 Å²	115	69.7 Å²	69.7	50%	0.504	38%	0.384	S	S	.	.	H	α-helix	trans	-94.7	0.9	-177.1	-74.5	-75.8	0	0	0	113.8	V581 I582 D587 S588 I589	V581-F585 HydrophobicContact CG1-CD2 3.71Å; V581-F585 HydrophobicContact CG1-CE2 4.07Å; V581-F585 WeakPolarHBondContact O-CB 3.35Å; V581-F585 VanDerWaalsContact O-CD2 3.24Å; V581-F585 WeakPolarHBondContact O-CD2 3.26Å; V581-F585 PolarHBondContact O-N 3.48Å; I582-F585 PolarHBondContact O-N 2.98Å; F585-D587 VanDerWaalsContact C-N 3.3Å; F585-D587 PolarHBondContact O-N 3.19Å; F585-S588 WeakPolarHBondContact O-CA 3.47Å; F585-S588 WeakPolarHBondContact O-CB 3.41Å; F585-S588 PolarHBondContact O-N 3.34Å; F585-I589 WeakPolarHBondContact O-CG1 3.23Å; F585-I589 PolarHBondContact O-N 3.39Å
586	E	73.2	Confident	76.3	Confident	7 Å²	7	73.3 Å²	73.3	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-55.1	-43.9	-178.9	-172.3	179.8	158	0	0	112.7	H175 H179 I582 S588 I589 R590	H175-E586 IonicContact CD2-OE2 3.57Å; H175-E586 PolarHBondContact CD2-OE2 3.06Å; H175-E586 IonicContact NE2-OE2 3.28Å; H179-E586 IonicContact CE1-OE1 3.48Å; H179-E586 IonicContact CE1-OE2 3.3Å; H179-E586 PolarHBondContact CE1-OE2 3.4Å; H179-E586 IonicContact ND1-OE2 2.66Å; H179-E586 IonicContact NE2-OE1 3.59Å; H179-E586 PolarHBondContact NE2-OE1 3.36Å; H179-E586 IonicContact NE2-OE2 3.11Å; I582-E586 PolarHBondContact O-N 3.39Å; E586-S588 PolarHBondContact O-N 3.12Å; E586-I589 WeakPolarHBondContact O-CB 3.47Å; E586-I589 PolarHBondContact O-N 3.49Å; E586-I589 VanDerWaalsContact O-N 3.07Å; E586-R590 WeakPolarHBondContact O-CG 3.48Å; E586-R590 PolarHBondContact O-N 2.93Å; E586-R590 IonicContact OE1-CZ 3.66Å; E586-R590 IonicContact OE1-NE 3.97Å; E586-R590 PolarHBondContact OE1-NE 2.97Å; E586-R590 IonicContact OE1-NH2 3.15Å; E586-R590 PolarHBondContact OE1-NH2 3.34Å
587	D	69.2	Low	75.4	Confident	113 Å²	113	74.1 Å²	74.1	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-62.4	-33.7	177.3	-69.9	-33.8	0	0	0	112.3	F585 R590 V591	F585-D587 VanDerWaalsContact C-N 3.3Å; F585-D587 PolarHBondContact O-N 3.19Å; D587-R590 PolarHBondContact O-N 3.32Å; D587-V591 WeakPolarHBondContact O-CG2 3.44Å; D587-V591 PolarHBondContact O-N 3.03Å
588	S	69.1	Low	74.4	Confident	63 Å²	63	76.7 Å²	76.7	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-72.9	-34.9	175.1	-60.3	0	0	0	0	111.7	F585 E586 V591 I592	F585-S588 WeakPolarHBondContact O-CA 3.47Å; F585-S588 WeakPolarHBondContact O-CB 3.41Å; F585-S588 PolarHBondContact O-N 3.34Å; E586-S588 PolarHBondContact O-N 3.12Å; S588-V591 PolarHBondContact O-N 3.38Å; S588-I592 WeakPolarHBondContact O-CD1 3.37Å; S588-I592 VanDerWaalsContact O-CG1 3.27Å; S588-I592 WeakPolarHBondContact O-CG1 3.4Å; S588-I592 PolarHBondContact O-N 3.46Å
589	I	63.6	Low	73.5	Confident	59 Å²	59	77.9 Å²	77.9	30%	0.303	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-41.8	173.6	-64.3	168.1	0	0	0	109.7	F585 E586 V591 I592 V593	F585-I589 WeakPolarHBondContact O-CG1 3.23Å; F585-I589 PolarHBondContact O-N 3.39Å; E586-I589 WeakPolarHBondContact O-CB 3.47Å; E586-I589 PolarHBondContact O-N 3.49Å; E586-I589 VanDerWaalsContact O-N 3.07Å; I589-V591 VanDerWaalsContact C-N 3.34Å; I589-V591 PolarHBondContact O-N 3.15Å; I589-I592 PolarHBondContact O-N 3.44Å; I589-I592 VanDerWaalsContact O-N 3.12Å; I589-V593 HydrophobicContact CG2-CG2 4.02Å; I589-V593 WeakPolarHBondContact O-CB 3.3Å; I589-V593 WeakPolarHBondContact O-CG2 3.48Å; I589-V593 PolarHBondContact O-N 3.12Å
590	R	61.7	Low	72.4	Confident	80 Å²	80	83.1 Å²	83.1	30%	0.302	45%	0.448	S	S	.	.	H	α-helix	trans	-54.4	-48.5	174.7	-71.5	174.6	-178.7	-145.5	6.1	111.8	H179 S465 E586 D587 I592 V593 D594	H179-R590 PolarHBondContact NE2-NH2 3.3Å; S465-R590 WeakPolarHBondContact OG-CA 3.43Å; S465-R590 VanDerWaalsContact OG-CG 3.26Å; S465-R590 WeakPolarHBondContact OG-CG 3.33Å; S465-R590 PolarHBondContact OG-N 3.21Å; E586-R590 WeakPolarHBondContact O-CG 3.48Å; E586-R590 PolarHBondContact O-N 2.93Å; E586-R590 IonicContact OE1-CZ 3.66Å; E586-R590 IonicContact OE1-NE 3.97Å; E586-R590 PolarHBondContact OE1-NE 2.97Å; E586-R590 IonicContact OE1-NH2 3.15Å; E586-R590 PolarHBondContact OE1-NH2 3.34Å; D587-R590 PolarHBondContact O-N 3.32Å; R590-I592 VanDerWaalsContact C-N 3.3Å; R590-I592 PolarHBondContact O-N 3.32Å; R590-V593 PolarHBondContact O-N 3.19Å; R590-D594 WeakPolarHBondContact O-CB 3.4Å; R590-D594 PolarHBondContact O-N 3.09Å
591	V	62.7	Low	71.2	Confident	116 Å²	116	83.3 Å²	83.3	70%	0.703	45%	0.45	S	S	*	.	H	α-helix	trans	-67.8	-25.2	179.4	175.7	0	0	0	0	113.6	D587 S588 I589	D587-V591 WeakPolarHBondContact O-CG2 3.44Å; D587-V591 PolarHBondContact O-N 3.03Å; S588-V591 PolarHBondContact O-N 3.38Å; I589-V591 VanDerWaalsContact C-N 3.34Å; I589-V591 PolarHBondContact O-N 3.15Å
592	I	60.7	Low	69.9	Low	139 Å²	139	83.5 Å²	83.5	71%	0.713	45%	0.447	S	S	*	.	H	α-helix	trans	-85.1	-31.8	179.4	-68.1	165.9	0	0	0	111.7	S588 I589 R590	S588-I592 WeakPolarHBondContact O-CD1 3.37Å; S588-I592 VanDerWaalsContact O-CG1 3.27Å; S588-I592 WeakPolarHBondContact O-CG1 3.4Å; S588-I592 PolarHBondContact O-N 3.46Å; I589-I592 PolarHBondContact O-N 3.44Å; I589-I592 VanDerWaalsContact O-N 3.12Å; R590-I592 VanDerWaalsContact C-N 3.3Å; R590-I592 PolarHBondContact O-N 3.32Å
593	V	59.6	Low	68.7	Low	62 Å²	62	88.9 Å²	88.9	38%	0.376	48%	0.477	S	S	.	.	H	α-helix	trans	-89	-35.1	-174.8	172.5	0	0	0	0	112.6	I464 L468 I589 R590	I464-V593 HydrophobicContact CG2-CG1 4.49Å; L468-V593 HydrophobicContact CD1-CG1 3.89Å; L468-V593 HydrophobicContact CD1-CG2 4.39Å; I589-V593 HydrophobicContact CG2-CG2 4.02Å; I589-V593 WeakPolarHBondContact O-CB 3.3Å; I589-V593 WeakPolarHBondContact O-CG2 3.48Å; I589-V593 PolarHBondContact O-N 3.12Å; R590-V593 PolarHBondContact O-N 3.19Å
594	D	54	Low	67.3	Low	165 Å²	165	94.5 Å²	94.5	88%	0.882	50%	0.499	S	S	*	.			trans	-78.4	0	174.2	-68.1	-25.5	0	0	0	111.8	R590	R590-D594 WeakPolarHBondContact O-CB 3.4Å; R590-D594 PolarHBondContact O-N 3.09Å

Retrieved 594 of 594 residues in 1452.7 ms (Link to these results)

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