A0A087XUA7_POEFO Loading...

RAS guanyl releasing protein 2

AlphaFold DB , UniProt , Accession A0A087XUA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	65.2	Low	77 Å²	77	77.6 Å²	77.6	38%	0.379	42%	0.417	S	S	.	.				0	-66.4	0	-156.7	165.1	-80.4	0	0	109.9	S3 I4 L5 A22 D31 L34	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 2.82Å; M1-L5 PolarHBondContact O-N 3Å; M1-A22 HydrophobicContact CE-CB 3.74Å; M1-D31 HydrophobicContact SD-CB 4.14Å; M1-L34 HydrophobicContact CE-CD2 4.28Å; M1-L34 HydrophobicContact CG-CD2 4.17Å
2	E	42.7	Very low	67.2	Low	177 Å²	177	72.7 Å²	72.7	83%	0.827	39%	0.391	S	S	*	.	H	α-helix	trans	-54.8	-38.3	170.6	-68.3	179.6	146.6	0	0	113.2	I4 L5 S6	E2-I4 VanDerWaalsContact C-N 3.31Å; E2-I4 PolarHBondContact O-N 2.8Å; E2-L5 PolarHBondContact O-N 2.82Å; E2-S6 WeakPolarHBondContact O-CB 3.36Å; E2-S6 PolarHBondContact O-N 2.87Å
3	S	49.1	Very low	69	Low	73 Å²	73	73.5 Å²	73.5	51%	0.51	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-33.8	175.1	62.8	0	0	0	0	114.1	M1 S6 E7	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-S6 PolarHBondContact O-N 3.5Å; S3-E7 PolarHBondContact O-N 3.11Å
4	I	57.2	Low	70.5	Confident	33 Å²	33	74.5 Å²	74.5	17%	0.169	40%	0.396	C	S	.	.	H	α-helix	trans	-77.9	-29.4	-178.5	-60.3	174.1	0	0	0	110.7	M1 E2 A10 L15 A18 L330	M1-I4 PolarHBondContact O-N 2.82Å; E2-I4 VanDerWaalsContact C-N 3.31Å; E2-I4 PolarHBondContact O-N 2.8Å; I4-A10 HydrophobicContact CG2-CB 3.93Å; I4-L15 HydrophobicContact CG2-CD2 4.13Å; I4-A18 HydrophobicContact CD1-CB 3.68Å; I4-L330 HydrophobicContact CG2-CD1 4.17Å; I4-L330 VanDerWaalsContact O-CD1 3.24Å; I4-L330 WeakPolarHBondContact O-CD1 3.31Å
5	L	54.7	Low	71.8	Confident	78 Å²	78	69.8 Å²	69.8	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-79.4	-23.5	169.8	-69.8	168.2	0	0	0	112.2	M1 E2 L34 M37	M1-L5 PolarHBondContact O-N 3Å; E2-L5 PolarHBondContact O-N 2.82Å; L5-L34 HydrophobicContact CD1-CD1 4.29Å; L5-L34 HydrophobicContact CD2-CD1 3.92Å; L5-L34 HydrophobicContact CG-CD1 4.07Å; L5-M37 HydrophobicContact CD2-CE 4.37Å
6	S	54.7	Low	72.9	Confident	100 Å²	100	65.7 Å²	65.7	70%	0.699	35%	0.35	S	S	*	.	H	α-helix	trans	-77.1	-32.1	172.6	-172.3	0	0	0	0	112.9	E2 S3	E2-S6 WeakPolarHBondContact O-CB 3.36Å; E2-S6 PolarHBondContact O-N 2.87Å; S3-S6 PolarHBondContact O-N 3.5Å
7	E	62.3	Low	73.9	Confident	101 Å²	101	64.6 Å²	64.6	47%	0.472	34%	0.342	S	S	.	.	S	Bend	trans	-81.6	108.4	167.7	-73.7	-173.5	-134.8	0	0	109.1	S3 S9 R327	S3-E7 PolarHBondContact O-N 3.11Å; E7-S9 PolarHBondContact O-N 2.93Å; E7-R327 IonicContact OE2-CZ 3.86Å; E7-R327 IonicContact OE2-NH2 2.66Å; E7-R327 PolarHBondContact OE2-NH2 3.21Å
8	Q	79.2	Confident	74.7	Confident	153 Å²	153	61.4 Å²	61.4	72%	0.715	33%	0.327	S	S	*	.	S	Bend	trans	-63.8	4.2	-173.2	-63.5	176.5	-10.1	0	0	115.3	L330	Q8-L330 PolarHBondContact O-N 3.44Å; Q8-L330 VanDerWaalsContact O-N 3.09Å
9	S	86.8	Confident	75.5	Confident	21 Å²	21	58.3 Å²	58.3	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.9	172	66.6	0	0	0	0	111.5	E7 A321 R327 V328	E7-S9 PolarHBondContact O-N 2.93Å; S9-A321 VanDerWaalsContact CB-CB 3.42Å; S9-R327 PolarHBondContact O-NH2 2.72Å; S9-R327 PolarHBondContact OG-NE 3.14Å; S9-R327 VanDerWaalsContact OG-NE 3.07Å; S9-V328 WeakPolarHBondContact CA-O 3.43Å; S9-V328 VanDerWaalsContact CB-O 3.26Å; S9-V328 WeakPolarHBondContact CB-O 3.14Å
10	A	89.4	Confident	76.2	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.4	176.5	0	0	0	0	0	111	I4 L15 R327 V328 L330	I4-A10 HydrophobicContact CG2-CB 3.93Å; A10-L15 HydrophobicContact CB-CD1 4.4Å; A10-L15 HydrophobicContact CB-CD2 4.04Å; A10-L15 HydrophobicContact CB-CG 3.95Å; A10-R327 CarbonylContact O-C 3.58Å; A10-R327 WeakPolarHBondContact O-CA 3.34Å; A10-V328 PolarHBondContact N-O 2.94Å; A10-V328 PolarHBondContact O-N 3.34Å; A10-L330 HydrophobicContact CB-CD1 3.91Å; A10-L330 HydrophobicContact CB-CG 4.45Å
11	T	91.6	Very high	76.7	Confident	38 Å²	38	58.3 Å²	58.3	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	157.1	171.4	65.4	0	0	0	0	111.2	D13 E14 L15 T326 R327	T11-D13 PolarHBondContact O-N 2.69Å; T11-E14 WeakPolarHBondContact CB-OE2 3.36Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.28Å; T11-E14 PolarHBondContact N-OE2 3.27Å; T11-E14 PolarHBondContact O-N 3.14Å; T11-E14 WeakPolarHBondContact OG1-CB 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.3Å; T11-E14 PolarHBondContact OG1-N 2.88Å; T11-E14 PolarHBondContact OG1-OE2 2.98Å; T11-L15 WeakPolarHBondContact O-CG 3.37Å; T11-L15 PolarHBondContact O-N 3.16Å; T11-L15 VanDerWaalsContact O-N 3.12Å; T11-T326 WeakPolarHBondContact CA-O 3.17Å; T11-R327 HydrophobicContact CG2-CG 3.93Å
12	V	89.6	Confident	78.5	Confident	18 Å²	18	54.7 Å²	54.7	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-58.7	-33.1	175.1	-178.5	0	0	0	0	111.2	L15 V16 F38 Y45 I46 V328	V12-L15 PolarHBondContact O-N 3.38Å; V12-V16 HydrophobicContact CG1-CG2 4.38Å; V12-V16 VanDerWaalsContact O-CG2 3.31Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 2.95Å; V12-F38 HydrophobicContact CG1-CZ 4.44Å; V12-Y45 HydrophobicContact CG2-CD2 3.86Å; V12-Y45 HydrophobicContact CG2-CE2 4.38Å; V12-I46 HydrophobicContact CG1-CD1 4.11Å; V12-I46 HydrophobicContact CG1-CG2 4.14Å; V12-V328 HydrophobicContact CG2-CG2 4.02Å
13	D	89.8	Confident	80.6	Confident	84 Å²	84	46.7 Å²	46.7	45%	0.449	25%	0.251	S	S	.	.	H	α-helix	trans	-74	-40.1	-177.1	-72.7	14.7	0	0	0	112.2	T11 L15 V16 E17 K54	T11-D13 PolarHBondContact O-N 2.69Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 2.91Å; D13-V16 PolarHBondContact O-N 3.18Å; D13-E17 WeakPolarHBondContact O-CB 3.38Å; D13-E17 PolarHBondContact O-N 3.48Å; D13-K54 WeakPolarHBondContact OD1-CD 3.47Å; D13-K54 WeakPolarHBondContact OD1-CE 3.34Å; D13-K54 IonicContact OD1-NZ 3.5Å; D13-K54 PolarHBondContact OD1-NZ 3.46Å; D13-K54 IonicContact OD2-NZ 3.55Å; D13-K54 PolarHBondContact OD2-NZ 2.93Å
14	E	90.4	Very high	82.2	Confident	87 Å²	87	45.6 Å²	45.6	41%	0.407	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-38.2	171.2	-71.2	159	149.2	0	0	111.5	T11 A18	T11-E14 WeakPolarHBondContact CB-OE2 3.36Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.28Å; T11-E14 PolarHBondContact N-OE2 3.27Å; T11-E14 PolarHBondContact O-N 3.14Å; T11-E14 WeakPolarHBondContact OG1-CB 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.3Å; T11-E14 PolarHBondContact OG1-N 2.88Å; T11-E14 PolarHBondContact OG1-OE2 2.98Å; E14-A18 VanDerWaalsContact O-CB 3.22Å; E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.09Å
15	L	89.7	Confident	83.1	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-41.9	177	-68	168.9	0	0	0	112.6	I4 A10 T11 V12 D13 A18 C19 F38 V328 L330	I4-L15 HydrophobicContact CG2-CD2 4.13Å; A10-L15 HydrophobicContact CB-CD1 4.4Å; A10-L15 HydrophobicContact CB-CD2 4.04Å; A10-L15 HydrophobicContact CB-CG 3.95Å; T11-L15 WeakPolarHBondContact O-CG 3.37Å; T11-L15 PolarHBondContact O-N 3.16Å; T11-L15 VanDerWaalsContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 3.38Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 2.91Å; L15-A18 PolarHBondContact O-N 3.3Å; L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 PolarHBondContact O-SG 2.98Å; L15-F38 HydrophobicContact CB-CD2 3.63Å; L15-F38 HydrophobicContact CB-CE2 3.47Å; L15-F38 VanDerWaalsContact CB-CE2 3.47Å; L15-F38 HydrophobicContact CB-CZ 4.29Å; L15-F38 HydrophobicContact CD1-CD2 4.11Å; L15-F38 HydrophobicContact CD1-CE2 4.07Å; L15-F38 HydrophobicContact CG-CD2 4.36Å; L15-F38 HydrophobicContact CG-CE2 4.39Å; L15-V328 HydrophobicContact CD1-CB 4.44Å; L15-V328 HydrophobicContact CD1-CG2 4.46Å; L15-L330 HydrophobicContact CD1-CD2 4.05Å; L15-L330 HydrophobicContact CD2-CD1 4.47Å; L15-L330 HydrophobicContact CD2-CD2 4Å
16	V	90.3	Very high	84.3	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-48.3	174.1	168.4	0	0	0	0	110.5	V12 D13 A18 C19 I20 F38 L55 L58	V12-V16 HydrophobicContact CG1-CG2 4.38Å; V12-V16 VanDerWaalsContact O-CG2 3.31Å; V12-V16 WeakPolarHBondContact O-CG2 3.46Å; V12-V16 PolarHBondContact O-N 2.95Å; D13-V16 PolarHBondContact O-N 3.18Å; V16-A18 PolarHBondContact O-N 2.83Å; V16-C19 WeakPolarHBondContact O-CB 3.31Å; V16-C19 PolarHBondContact O-N 3.26Å; V16-C19 VanDerWaalsContact O-N 3.16Å; V16-I20 HydrophobicContact CG1-CD1 3.83Å; V16-I20 WeakPolarHBondContact O-CG1 3.36Å; V16-I20 PolarHBondContact O-N 3.36Å; V16-F38 HydrophobicContact CG2-CE1 3.85Å; V16-F38 HydrophobicContact CG2-CZ 3.54Å; V16-L55 HydrophobicContact CG1-CD2 3.82Å; V16-L58 HydrophobicContact CG1-CD1 3.82Å
17	E	89.6	Confident	85.3	Confident	47 Å²	47	50.5 Å²	50.5	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-39.6	179.1	-175.4	59.3	-151.3	0	0	111.6	D13 C19 I20 Q21 R70	D13-E17 WeakPolarHBondContact O-CB 3.38Å; D13-E17 PolarHBondContact O-N 3.48Å; E17-C19 VanDerWaalsContact C-N 3.29Å; E17-C19 PolarHBondContact O-N 2.9Å; E17-I20 PolarHBondContact O-N 3.35Å; E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 2.96Å; E17-Q21 PolarHBondContact OE1-NE2 3.16Å; E17-R70 IonicContact OE2-CZ 3.86Å; E17-R70 IonicContact OE2-NE 3.92Å; E17-R70 PolarHBondContact OE2-NE 3.32Å; E17-R70 IonicContact OE2-NH2 3.83Å; E17-R70 PolarHBondContact OE2-NH2 3.5Å
18	A	88.6	Confident	86.3	Confident	8 Å²	8	49.5 Å²	49.5	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-36.8	173.2	0	0	0	0	0	112.8	I4 E14 L15 V16 A22 L34	I4-A18 HydrophobicContact CD1-CB 3.68Å; E14-A18 VanDerWaalsContact O-CB 3.22Å; E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.09Å; L15-A18 PolarHBondContact O-N 3.3Å; V16-A18 PolarHBondContact O-N 2.83Å; A18-A22 PolarHBondContact O-N 3.03Å; A18-L34 HydrophobicContact CB-CD2 3.95Å
19	C	89.9	Confident	86.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-37.4	174.6	-67.5	0	0	0	0	112.5	L15 V16 E17 A22 F23 V35 F38 L77	L15-C19 PolarHBondContact O-N 2.8Å; L15-C19 PolarHBondContact O-SG 2.98Å; V16-C19 WeakPolarHBondContact O-CB 3.31Å; V16-C19 PolarHBondContact O-N 3.26Å; V16-C19 VanDerWaalsContact O-N 3.16Å; E17-C19 VanDerWaalsContact C-N 3.29Å; E17-C19 PolarHBondContact O-N 2.9Å; C19-A22 WeakPolarHBondContact O-CB 3.34Å; C19-A22 PolarHBondContact O-N 3.02Å; C19-F23 WeakPolarHBondContact O-CD2 3.36Å; C19-V35 HydrophobicContact CB-CG2 4.28Å; C19-F38 HydrophobicContact CB-CD1 4.49Å; C19-F38 VanDerWaalsContact SG-CD1 3.57Å; C19-L77 HydrophobicContact CB-CD1 4.12Å; C19-L77 HydrophobicContact CB-CD2 4.15Å
20	I	88.4	Confident	85.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-42.6	174.2	-66	164	0	0	0	110.4	V16 E17 A22 F23 L55 L58 R70 R73 I74 L77	V16-I20 HydrophobicContact CG1-CD1 3.83Å; V16-I20 WeakPolarHBondContact O-CG1 3.36Å; V16-I20 PolarHBondContact O-N 3.36Å; E17-I20 PolarHBondContact O-N 3.35Å; I20-A22 PolarHBondContact O-N 2.89Å; I20-F23 PolarHBondContact O-N 3.49Å; I20-L55 HydrophobicContact CD1-CD2 4.37Å; I20-L58 HydrophobicContact CD1-CD1 4.12Å; I20-R70 HydrophobicContact CG2-CG 4.44Å; I20-R73 HydrophobicContact CG2-CB 3.81Å; I20-I74 HydrophobicContact CD1-CD1 4.3Å; I20-I74 HydrophobicContact CD1-CG1 3.75Å; I20-I74 HydrophobicContact CG1-CG1 3.99Å; I20-I74 HydrophobicContact CG2-CG1 4.11Å; I20-L77 HydrophobicContact CG1-CD2 3.79Å
21	Q	87.8	Confident	85.1	Confident	117 Å²	117	54 Å²	54	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-73.6	-9.7	179.3	-67.5	-175	16.3	0	0	114.4	E17 F23	E17-Q21 WeakPolarHBondContact O-CG 3.44Å; E17-Q21 PolarHBondContact O-N 2.96Å; E17-Q21 PolarHBondContact OE1-NE2 3.16Å; Q21-F23 VanDerWaalsContact C-N 3.29Å; Q21-F23 PolarHBondContact O-N 2.92Å
22	A	87.7	Confident	84.7	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.4	175.4	0	0	0	0	0	113.5	M1 A18 C19 I20 L29 K30 V35	M1-A22 HydrophobicContact CE-CB 3.74Å; A18-A22 PolarHBondContact O-N 3.03Å; C19-A22 WeakPolarHBondContact O-CB 3.34Å; C19-A22 PolarHBondContact O-N 3.02Å; I20-A22 PolarHBondContact O-N 2.89Å; A22-L29 HydrophobicContact CB-CD1 3.78Å; A22-K30 PolarHBondContact O-N 3.43Å; A22-K30 VanDerWaalsContact O-N 3.14Å; A22-V35 HydrophobicContact CB-CG2 3.49Å; A22-V35 VanDerWaalsContact CB-CG2 3.49Å
23	F	87	Confident	84.4	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.039	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-92.6	140	178.3	-65.6	-94.5	0	0	0	111.6	C19 I20 Q21 L29 V35 R73 H76 L77 Y80	C19-F23 WeakPolarHBondContact O-CD2 3.36Å; I20-F23 PolarHBondContact O-N 3.49Å; Q21-F23 VanDerWaalsContact C-N 3.29Å; Q21-F23 PolarHBondContact O-N 2.92Å; F23-L29 HydrophobicContact CD1-CD1 4.01Å; F23-L29 HydrophobicContact CD2-CD1 3.96Å; F23-L29 HydrophobicContact CE1-CB 4.46Å; F23-L29 HydrophobicContact CE1-CD1 3.81Å; F23-L29 HydrophobicContact CE2-CD1 3.72Å; F23-L29 HydrophobicContact CG-CD1 4.09Å; F23-L29 HydrophobicContact CZ-CD1 3.65Å; F23-V35 HydrophobicContact CE2-CG1 4.18Å; F23-V35 HydrophobicContact CZ-CG1 4.41Å; F23-R73 HydrophobicContact CB-CB 4.48Å; F23-R73 HydrophobicContact CB-CG 4.36Å; F23-R73 VanDerWaalsContact O-CD 3.28Å; F23-R73 WeakPolarHBondContact O-CD 3.39Å; F23-H76 HydrophobicContact CB-CB 4.38Å; F23-H76 HydrophobicContact CD1-CB 3.7Å; F23-H76 HydrophobicContact CE1-CB 4.18Å; F23-H76 HydrophobicContact CG-CB 4.08Å; F23-L77 HydrophobicContact CD2-CB 4.24Å; F23-L77 HydrophobicContact CE2-CB 3.82Å; F23-L77 HydrophobicContact CE2-CD1 3.78Å; F23-L77 HydrophobicContact CE2-CG 4.4Å; F23-L77 HydrophobicContact CZ-CB 4.41Å; F23-L77 HydrophobicContact CZ-CD1 4.37Å; F23-Y80 HydrophobicContact CE1-CG 4.26Å; F23-Y80 HydrophobicContact CZ-CD1 4.03Å; F23-Y80 AromaticContact CZ-CG 3.83Å; F23-Y80 HydrophobicContact CZ-CG 3.83Å
24	D	82.7	Confident	84.2	Confident	50 Å²	50	52.5 Å²	52.5	27%	0.267	27%	0.272	S	S	.	.			trans	-82.2	175.7	162.1	78.4	10.8	0	0	0	112.1	K26 G27 T28	D24-K26 PolarHBondContact O-N 3.34Å; D24-K26 VanDerWaalsContact OD1-CA 3.29Å; D24-K26 WeakPolarHBondContact OD1-CA 3.29Å; D24-K26 WeakPolarHBondContact OD1-CB 3.4Å; D24-K26 PolarHBondContact OD1-N 3.24Å; D24-G27 PolarHBondContact O-N 3.33Å; D24-G27 VanDerWaalsContact O-N 3.11Å; D24-G27 PolarHBondContact OD1-N 3.44Å; D24-T28 VanDerWaalsContact CG-CB 3.46Å; D24-T28 VanDerWaalsContact CG-OG1 3.29Å; D24-T28 PolarHBondContact N-O 2.97Å; D24-T28 WeakPolarHBondContact OD1-CB 3.22Å; D24-T28 PolarHBondContact OD1-N 3.32Å; D24-T28 PolarHBondContact OD1-OG1 3.5Å; D24-T28 VanDerWaalsContact OD1-OG1 3.13Å; D24-T28 WeakPolarHBondContact OD2-CB 3.44Å; D24-T28 PolarHBondContact OD2-OG1 3.25Å
25	E	76	Confident	84.2	Confident	110 Å²	110	48.3 Å²	48.3	51%	0.514	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.8	177.8	-73.5	157.6	-135.8	0	0	114.4	E69 R73 H76	E25-E69 HydrophobicContact CG-CB 4.35Å; E25-E69 HydrophobicContact CG-CG 4.07Å; E25-R73 IonicContact OE1-NH2 3.79Å; E25-H76 PolarHBondContact O-CE1 3.06Å
26	K	78.3	Confident	84.3	Confident	180 Å²	180	50.8 Å²	50.8	78%	0.783	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.7	179	-60.4	178	-179	175.2	0	112.2	D24	D24-K26 PolarHBondContact O-N 3.34Å; D24-K26 VanDerWaalsContact OD1-CA 3.29Å; D24-K26 WeakPolarHBondContact OD1-CA 3.29Å; D24-K26 WeakPolarHBondContact OD1-CB 3.4Å; D24-K26 PolarHBondContact OD1-N 3.24Å
27	G	77	Confident	84.4	Confident	24 Å²	24	51.2 Å²	51.2	25%	0.247	26%	0.264	C	S	.	.			trans	82.1	11.7	-175.4	0	0	0	0	0	114.4	D24 L29 H76	D24-G27 PolarHBondContact O-N 3.33Å; D24-G27 VanDerWaalsContact O-N 3.11Å; D24-G27 PolarHBondContact OD1-N 3.44Å; G27-L29 PolarHBondContact O-N 3.46Å; G27-H76 WeakPolarHBondContact CA-CD2 3.36Å; G27-H76 PolarHBondContact N-CE1 2.93Å
28	T	82.8	Confident	84.5	Confident	79 Å²	79	49.2 Å²	49.2	49%	0.485	25%	0.254	S	S	.	.			trans	-73.1	126.2	174.7	-34.1	0	0	0	0	109.7	D24	D24-T28 VanDerWaalsContact CG-CB 3.46Å; D24-T28 VanDerWaalsContact CG-OG1 3.29Å; D24-T28 PolarHBondContact N-O 2.97Å; D24-T28 WeakPolarHBondContact OD1-CB 3.22Å; D24-T28 PolarHBondContact OD1-N 3.32Å; D24-T28 PolarHBondContact OD1-OG1 3.5Å; D24-T28 VanDerWaalsContact OD1-OG1 3.13Å; D24-T28 WeakPolarHBondContact OD2-CB 3.44Å; D24-T28 PolarHBondContact OD2-OG1 3.25Å
29	L	84	Confident	84.7	Confident	41 Å²	41	48.9 Å²	48.9	22%	0.215	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-92.8	123.6	179.6	-167.2	61.6	0	0	0	109.9	A22 F23 G27 A32 V35 Y80	A22-L29 HydrophobicContact CB-CD1 3.78Å; F23-L29 HydrophobicContact CD1-CD1 4.01Å; F23-L29 HydrophobicContact CD2-CD1 3.96Å; F23-L29 HydrophobicContact CE1-CB 4.46Å; F23-L29 HydrophobicContact CE1-CD1 3.81Å; F23-L29 HydrophobicContact CE2-CD1 3.72Å; F23-L29 HydrophobicContact CG-CD1 4.09Å; F23-L29 HydrophobicContact CZ-CD1 3.65Å; G27-L29 PolarHBondContact O-N 3.46Å; L29-A32 HydrophobicContact CD2-CB 3.76Å; L29-V35 HydrophobicContact CD1-CG2 4.01Å; L29-Y80 HydrophobicContact CD2-CD2 4.41Å; L29-Y80 HydrophobicContact CD2-CE1 4.1Å; L29-Y80 HydrophobicContact CD2-CE2 3.91Å
30	K	73.3	Confident	84.9	Confident	180 Å²	180	49.2 Å²	49.2	78%	0.783	25%	0.253	S	S	*	.	S	Bend	trans	-79	-41.8	-179	-69.4	-179.7	-178.9	172.2	0	113.3	A22	A22-K30 PolarHBondContact O-N 3.43Å; A22-K30 VanDerWaalsContact O-N 3.14Å
31	D	72.7	Confident	85.1	Confident	52 Å²	52	49.2 Å²	49.2	28%	0.278	25%	0.253	S	S	.	.			trans	-135.9	118.3	173.6	175.3	19	0	0	0	108.8	M1 S33	M1-D31 HydrophobicContact SD-CB 4.14Å; D31-S33 VanDerWaalsContact CG-OG 3.23Å; D31-S33 VanDerWaalsContact OD1-CB 3.29Å; D31-S33 WeakPolarHBondContact OD1-CB 3.41Å; D31-S33 PolarHBondContact OD1-N 2.82Å; D31-S33 PolarHBondContact OD1-OG 3.04Å; D31-S33 PolarHBondContact OD2-OG 2.75Å
32	A	83.1	Confident	85.3	Confident	43 Å²	43	43.7 Å²	43.7	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-81.6	-19.9	177.9	0	0	0	0	0	113	L29 R36	L29-A32 HydrophobicContact CD2-CB 3.76Å; A32-R36 WeakPolarHBondContact O-CB 3.5Å; A32-R36 PolarHBondContact O-N 2.9Å
33	S	84.4	Confident	85.6	Confident	61 Å²	61	45 Å²	45	43%	0.427	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-50.9	-169.5	71.1	0	0	0	0	112.2	D31 M37	D31-S33 VanDerWaalsContact CG-OG 3.23Å; D31-S33 VanDerWaalsContact OD1-CB 3.29Å; D31-S33 WeakPolarHBondContact OD1-CB 3.41Å; D31-S33 PolarHBondContact OD1-N 2.82Å; D31-S33 PolarHBondContact OD1-OG 3.04Å; D31-S33 PolarHBondContact OD2-OG 2.75Å; S33-M37 WeakPolarHBondContact O-CB 3.46Å; S33-M37 PolarHBondContact O-N 2.95Å
34	L	85.2	Confident	85.7	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-47.7	176.6	-170.9	90	0	0	0	111.7	M1 L5 A18 M37 F38	M1-L34 HydrophobicContact CE-CD2 4.28Å; M1-L34 HydrophobicContact CG-CD2 4.17Å; L5-L34 HydrophobicContact CD1-CD1 4.29Å; L5-L34 HydrophobicContact CD2-CD1 3.92Å; L5-L34 HydrophobicContact CG-CD1 4.07Å; A18-L34 HydrophobicContact CB-CD2 3.95Å; L34-M37 HydrophobicContact CD1-CE 4.17Å; L34-M37 PolarHBondContact O-N 3.21Å; L34-F38 WeakPolarHBondContact O-CB 3.35Å; L34-F38 PolarHBondContact O-N 3.32Å
35	V	90.6	Very high	86	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-44	-176.2	-178.2	0	0	0	0	110.8	C19 A22 F23 L29 F38 L39 L77 Y80	C19-V35 HydrophobicContact CB-CG2 4.28Å; A22-V35 HydrophobicContact CB-CG2 3.49Å; A22-V35 VanDerWaalsContact CB-CG2 3.49Å; F23-V35 HydrophobicContact CE2-CG1 4.18Å; F23-V35 HydrophobicContact CZ-CG1 4.41Å; L29-V35 HydrophobicContact CD1-CG2 4.01Å; V35-F38 PolarHBondContact O-N 3.38Å; V35-L39 HydrophobicContact CG1-CD1 3.82Å; V35-L39 HydrophobicContact CG1-CG 4.27Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.21Å; V35-L77 HydrophobicContact CG1-CD1 3.8Å; V35-Y80 HydrophobicContact CB-CE1 4.41Å; V35-Y80 HydrophobicContact CG1-CD1 3.79Å; V35-Y80 HydrophobicContact CG1-CE1 3.79Å
36	R	91.1	Very high	86.7	Confident	56 Å²	56	40.7 Å²	40.7	21%	0.211	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-32.8	177.4	-165.6	170.8	-174.7	-94.3	0.8	112.5	A32 M40 E84 F85 Y337	A32-R36 WeakPolarHBondContact O-CB 3.5Å; A32-R36 PolarHBondContact O-N 2.9Å; R36-M40 WeakPolarHBondContact O-CB 3.29Å; R36-M40 PolarHBondContact O-N 2.98Å; R36-E84 IonicContact CZ-OE2 2.68Å; R36-E84 IonicContact NE-OE2 2.67Å; R36-E84 PolarHBondContact NE-OE2 3.43Å; R36-E84 IonicContact NH2-OE2 3.43Å; R36-F85 HydrophobicContact CG-CZ 4.14Å; R36-Y337 PolarHBondContact NH1-OH 3.08Å
37	M	92.1	Very high	87.4	Confident	13 Å²	13	35.3 Å²	35.3	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-51.1	171	179.5	178.5	73.8	0	0	111.6	L5 S33 L34 M40 M41 T333 Q334 Y337	L5-M37 HydrophobicContact CD2-CE 4.37Å; S33-M37 WeakPolarHBondContact O-CB 3.46Å; S33-M37 PolarHBondContact O-N 2.95Å; L34-M37 HydrophobicContact CD1-CE 4.17Å; L34-M37 PolarHBondContact O-N 3.21Å; M37-M40 PolarHBondContact O-N 3.47Å; M37-M41 HydrophobicContact CG-CG 4.36Å; M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.45Å; M37-M41 VanDerWaalsContact O-CG 3.24Å; M37-M41 WeakPolarHBondContact O-CG 3.49Å; M37-M41 PolarHBondContact O-N 3.46Å; M37-T333 HydrophobicContact CG-CG2 4.09Å; M37-T333 HydrophobicContact SD-CG2 4.25Å; M37-Q334 HydrophobicContact SD-CB 4.27Å; M37-Y337 VanDerWaalsContact CA-CE2 3.41Å; M37-Y337 HydrophobicContact CB-CD1 4Å; M37-Y337 HydrophobicContact CB-CD2 3.86Å; M37-Y337 HydrophobicContact CB-CE1 4.06Å; M37-Y337 HydrophobicContact CB-CE2 3.96Å; M37-Y337 HydrophobicContact CB-CG 3.91Å; M37-Y337 HydrophobicContact CG-CD1 3.98Å; M37-Y337 HydrophobicContact CG-CD2 3.89Å; M37-Y337 HydrophobicContact CG-CE2 4.49Å; M37-Y337 HydrophobicContact CG-CG 3.62Å; M37-Y337 HydrophobicContact SD-CD1 4.33Å; M37-Y337 HydrophobicContact SD-CG 4.36Å
38	F	92.5	Very high	88.1	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.022	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-48.9	178.2	-178.1	-104.1	0	0	0	111.3	V12 L15 V16 C19 L34 V35 M40 M41 H42 Y45 M51	V12-F38 HydrophobicContact CG1-CZ 4.44Å; L15-F38 HydrophobicContact CB-CD2 3.63Å; L15-F38 HydrophobicContact CB-CE2 3.47Å; L15-F38 VanDerWaalsContact CB-CE2 3.47Å; L15-F38 HydrophobicContact CB-CZ 4.29Å; L15-F38 HydrophobicContact CD1-CD2 4.11Å; L15-F38 HydrophobicContact CD1-CE2 4.07Å; L15-F38 HydrophobicContact CG-CD2 4.36Å; L15-F38 HydrophobicContact CG-CE2 4.39Å; V16-F38 HydrophobicContact CG2-CE1 3.85Å; V16-F38 HydrophobicContact CG2-CZ 3.54Å; C19-F38 HydrophobicContact CB-CD1 4.49Å; C19-F38 VanDerWaalsContact SG-CD1 3.57Å; L34-F38 WeakPolarHBondContact O-CB 3.35Å; L34-F38 PolarHBondContact O-N 3.32Å; V35-F38 PolarHBondContact O-N 3.38Å; F38-M40 PolarHBondContact O-N 3.44Å; F38-M41 PolarHBondContact O-N 2.98Å; F38-H42 WeakPolarHBondContact O-CB 3.39Å; F38-H42 PolarHBondContact O-N 2.95Å; F38-Y45 HydrophobicContact CD2-CE2 4.27Å; F38-Y45 WeakPolarHBondContact CD2-OH 3.08Å; F38-Y45 AromaticContact CE2-CE2 3.68Å; F38-Y45 HydrophobicContact CE2-CE2 3.68Å; F38-Y45 AromaticContact CE2-CZ 3.92Å; F38-Y45 VanDerWaalsContact CE2-OH 3.31Å; F38-Y45 WeakPolarHBondContact CE2-OH 3.21Å; F38-Y45 HydrophobicContact CZ-CE2 4.42Å; F38-M51 HydrophobicContact CD1-CE 4.22Å; F38-M51 HydrophobicContact CE1-CE 3.57Å; F38-M51 HydrophobicContact CE1-SD 3.75Å; F38-M51 HydrophobicContact CZ-SD 4.19Å
39	L	93	Very high	88.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-37.1	-179.6	-70.2	177.8	0	0	0	113.2	V35 H42 M51 L77 Y80 W81 F85	V35-L39 HydrophobicContact CG1-CD1 3.82Å; V35-L39 HydrophobicContact CG1-CG 4.27Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.21Å; L39-H42 PolarHBondContact O-CE1 3.16Å; L39-H42 PolarHBondContact O-ND1 3.38Å; L39-M51 HydrophobicContact CD2-CE 3.61Å; L39-L77 HydrophobicContact CD1-CD1 4.24Å; L39-L77 HydrophobicContact CD2-CD1 4.37Å; L39-Y80 HydrophobicContact CD1-CD1 3.66Å; L39-Y80 HydrophobicContact CD1-CE1 4.06Å; L39-W81 HydrophobicContact CD1-CB 3.87Å; L39-W81 HydrophobicContact CD1-CG 4.28Å; L39-W81 HydrophobicContact CD2-CB 3.91Å; L39-W81 HydrophobicContact CD2-CD2 3.87Å; L39-W81 HydrophobicContact CD2-CE3 4.38Å; L39-W81 HydrophobicContact CD2-CG 3.65Å; L39-W81 HydrophobicContact CG-CG 4.47Å; L39-F85 HydrophobicContact CB-CD2 4.06Å; L39-F85 HydrophobicContact CB-CE2 3.61Å; L39-F85 HydrophobicContact CB-CZ 4.4Å; L39-F85 HydrophobicContact CD1-CE2 4.45Å
40	M	92.3	Very high	88.9	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-39.6	174	-169.4	163.7	70	0	0	112.5	R36 M37 F38 P43 F85 F174 Y337 L340	R36-M40 WeakPolarHBondContact O-CB 3.29Å; R36-M40 PolarHBondContact O-N 2.98Å; M37-M40 PolarHBondContact O-N 3.47Å; F38-M40 PolarHBondContact O-N 3.44Å; M40-P43 WeakPolarHBondContact O-CD 3.35Å; M40-F85 HydrophobicContact CB-CE1 3.75Å; M40-F85 HydrophobicContact CB-CZ 3.75Å; M40-F85 HydrophobicContact CG-CE1 3.97Å; M40-F85 HydrophobicContact CG-CZ 4.46Å; M40-F85 HydrophobicContact SD-CE1 4.29Å; M40-F174 HydrophobicContact CG-CD2 3.49Å; M40-F174 VanDerWaalsContact CG-CD2 3.49Å; M40-F174 HydrophobicContact CG-CE2 3.9Å; M40-F174 HydrophobicContact CG-CG 4.09Å; M40-F174 WeakPolarHBondContact O-CE1 3.4Å; M40-F174 VanDerWaalsContact O-CE2 3.24Å; M40-F174 WeakPolarHBondContact O-CE2 3.12Å; M40-F174 WeakPolarHBondContact O-CZ 3.31Å; M40-F174 HydrophobicContact SD-CD2 4.12Å; M40-Y337 HydrophobicContact CB-CE2 4.44Å; M40-Y337 HydrophobicContact CE-CD2 3.42Å; M40-Y337 VanDerWaalsContact CE-CD2 3.42Å; M40-Y337 HydrophobicContact CE-CE2 3.63Å; M40-Y337 HydrophobicContact CE-CG 4.46Å; M40-L340 HydrophobicContact CE-CB 3.45Å; M40-L340 VanDerWaalsContact CE-CB 3.45Å; M40-L340 HydrophobicContact CE-CD1 4.42Å; M40-L340 HydrophobicContact SD-CB 4.4Å
41	M	93.8	Very high	89.8	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-91.1	-10.3	-170	-60.8	-58.2	-57.6	0	0	114.5	M37 F38 P43 W44 Y45 F174 T333 L336 Y337 L340	M37-M41 HydrophobicContact CG-CG 4.36Å; M37-M41 VanDerWaalsContact O-CB 3.23Å; M37-M41 WeakPolarHBondContact O-CB 3.45Å; M37-M41 VanDerWaalsContact O-CG 3.24Å; M37-M41 WeakPolarHBondContact O-CG 3.49Å; M37-M41 PolarHBondContact O-N 3.46Å; F38-M41 PolarHBondContact O-N 2.98Å; M41-P43 VanDerWaalsContact C-N 3.33Å; M41-W44 HydrophobicContact CE-CD2 4.13Å; M41-W44 HydrophobicContact CE-CE3 3.49Å; M41-W44 VanDerWaalsContact CE-CE3 3.49Å; M41-W44 HydrophobicContact CE-CZ3 4.01Å; M41-W44 WeakPolarHBondContact O-CB 3.43Å; M41-W44 PolarHBondContact O-N 2.71Å; M41-W44 VanDerWaalsContact O-N 3.07Å; M41-Y45 HydrophobicContact CB-CE1 4.34Å; M41-Y45 VanDerWaalsContact O-CE1 3.32Å; M41-Y45 WeakPolarHBondContact O-CE1 3.49Å; M41-F174 HydrophobicContact CE-CE2 4.46Å; M41-F174 HydrophobicContact SD-CE2 3.82Å; M41-F174 HydrophobicContact SD-CZ 4.42Å; M41-T333 HydrophobicContact CB-CG2 3.66Å; M41-T333 HydrophobicContact CG-CG2 3.77Å; M41-L336 HydrophobicContact CE-CB 3.59Å; M41-L336 HydrophobicContact CE-CD1 4.01Å; M41-L336 HydrophobicContact CE-CG 4.47Å; M41-Y337 HydrophobicContact CG-CD2 4.2Å; M41-L340 HydrophobicContact CE-CD1 4.32Å; M41-L340 HydrophobicContact SD-CD1 3.77Å
42	H	92.5	Very high	90.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-52.6	-37.2	-178.2	80	-85.8	0	0	0	115.6	F38 L39 W44 Y45 I46 S48 M51 W81 E88	F38-H42 WeakPolarHBondContact O-CB 3.39Å; F38-H42 PolarHBondContact O-N 2.95Å; L39-H42 PolarHBondContact O-CE1 3.16Å; L39-H42 PolarHBondContact O-ND1 3.38Å; H42-W44 PolarHBondContact O-N 3.33Å; H42-Y45 VanDerWaalsContact CA-CZ 3.46Å; H42-Y45 HydrophobicContact CB-CE2 3.98Å; H42-Y45 PolarHBondContact O-N 3.02Å; H42-I46 CarbonylContact C-O 3.3Å; H42-I46 HydrophobicContact CB-CG2 4.02Å; H42-I46 PolarHBondContact O-N 2.91Å; H42-S48 VanDerWaalsContact NE2-CA 3.29Å; H42-S48 WeakPolarHBondContact NE2-CA 3.49Å; H42-S48 VanDerWaalsContact NE2-CB 3.28Å; H42-S48 WeakPolarHBondContact NE2-CB 3.35Å; H42-S48 PolarHBondContact NE2-OG 3.08Å; H42-M51 HydrophobicContact CB-SD 3.87Å; H42-M51 VanDerWaalsContact CG-SD 3.53Å; H42-W81 AromaticContact CE1-CE2 3.86Å; H42-W81 AromaticContact CE1-CZ2 3.42Å; H42-W81 VanDerWaalsContact CE1-CZ2 3.42Å; H42-W81 WeakPolarHBondContact CE1-CZ2 3.41Å; H42-W81 AromaticContact CE1-NE1 3.99Å; H42-W81 AromaticContact NE2-CZ2 3.57Å; H42-E88 IonicContact CE1-OE2 2.86Å
43	P	92.4	Very high	90.9	Very high	30 Å²	30	25 Å²	25	20%	0.195	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-65.5	-9.4	-178.6	-17.5	32.6	0	0	0	113.9	M40 M41 I46 F174 H178	M40-P43 WeakPolarHBondContact O-CD 3.35Å; M41-P43 VanDerWaalsContact C-N 3.33Å; P43-I46 WeakPolarHBondContact CA-O 3.21Å; P43-F174 HydrophobicContact CB-CE1 3.98Å; P43-F174 HydrophobicContact CG-CD1 4.31Å; P43-F174 HydrophobicContact CG-CE1 3.73Å; P43-H178 PolarHBondContact O-CE1 3.1Å
44	W	89.9	Confident	91.1	Very high	24 Å²	24	24.9 Å²	24.9	9%	0.091	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-75.6	-22.5	174.4	-140.8	-66.9	0	0	0	113.3	M41 H42 F174 H178 V181 M182 H314 D319 L336	M41-W44 HydrophobicContact CE-CD2 4.13Å; M41-W44 HydrophobicContact CE-CE3 3.49Å; M41-W44 VanDerWaalsContact CE-CE3 3.49Å; M41-W44 HydrophobicContact CE-CZ3 4.01Å; M41-W44 WeakPolarHBondContact O-CB 3.43Å; M41-W44 PolarHBondContact O-N 2.71Å; M41-W44 VanDerWaalsContact O-N 3.07Å; H42-W44 PolarHBondContact O-N 3.33Å; W44-F174 HydrophobicContact CE3-CE2 4.38Å; W44-F174 AromaticContact CE3-CZ 3.92Å; W44-F174 HydrophobicContact CE3-CZ 3.92Å; W44-F174 HydrophobicContact CZ3-CE2 4.42Å; W44-F174 HydrophobicContact CZ3-CZ 4.28Å; W44-H178 AromaticContact CD2-CD2 3.58Å; W44-H178 AromaticContact CD2-NE2 3.98Å; W44-H178 AromaticContact CE2-CD2 3.89Å; W44-H178 AromaticContact CE3-CD2 3.48Å; W44-H178 VanDerWaalsContact CE3-CD2 3.48Å; W44-H178 AromaticContact CH2-CD2 3.98Å; W44-H178 HydrophobicContact CZ3-CB 4.31Å; W44-H178 AromaticContact CZ3-CD2 3.7Å; W44-V181 HydrophobicContact CH2-CB 3.87Å; W44-V181 HydrophobicContact CH2-CG1 3.72Å; W44-V181 HydrophobicContact CH2-CG2 4.34Å; W44-V181 HydrophobicContact CZ2-CB 4.19Å; W44-V181 HydrophobicContact CZ2-CG1 3.67Å; W44-M182 HydrophobicContact CZ2-SD 4.32Å; W44-H314 AromaticContact CZ2-ND1 3.67Å; W44-H314 AromaticContact NE1-CE1 3.99Å; W44-H314 AromaticContact NE1-ND1 3.72Å; W44-D319 PolarHBondContact NE1-OD1 3.26Å; W44-L336 HydrophobicContact CD2-CD1 4.15Å; W44-L336 HydrophobicContact CE3-CD1 4.31Å; W44-L336 HydrophobicContact CH2-CD1 3.98Å; W44-L336 HydrophobicContact CZ2-CD1 3.78Å; W44-L336 HydrophobicContact CZ3-CD1 4.23Å
45	Y	89.4	Confident	91.2	Very high	31 Å²	31	24.9 Å²	24.9	12%	0.122	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-20.2	-176.3	44.9	-99.3	0	0	0	114.6	V12 F38 M41 H42 V328	V12-Y45 HydrophobicContact CG2-CD2 3.86Å; V12-Y45 HydrophobicContact CG2-CE2 4.38Å; F38-Y45 HydrophobicContact CD2-CE2 4.27Å; F38-Y45 WeakPolarHBondContact CD2-OH 3.08Å; F38-Y45 AromaticContact CE2-CE2 3.68Å; F38-Y45 HydrophobicContact CE2-CE2 3.68Å; F38-Y45 AromaticContact CE2-CZ 3.92Å; F38-Y45 VanDerWaalsContact CE2-OH 3.31Å; F38-Y45 WeakPolarHBondContact CE2-OH 3.21Å; F38-Y45 HydrophobicContact CZ-CE2 4.42Å; M41-Y45 HydrophobicContact CB-CE1 4.34Å; M41-Y45 VanDerWaalsContact O-CE1 3.32Å; M41-Y45 WeakPolarHBondContact O-CE1 3.49Å; H42-Y45 VanDerWaalsContact CA-CZ 3.46Å; H42-Y45 HydrophobicContact CB-CE2 3.98Å; H42-Y45 PolarHBondContact O-N 3.02Å; Y45-V328 HydrophobicContact CD1-CG1 3.72Å; Y45-V328 HydrophobicContact CD1-CG2 4.08Å; Y45-V328 HydrophobicContact CD2-CG2 3.98Å; Y45-V328 HydrophobicContact CE1-CG1 3.95Å; Y45-V328 HydrophobicContact CE2-CG2 4.47Å; Y45-V328 HydrophobicContact CG-CG1 4.28Å; Y45-V328 HydrophobicContact CG-CG2 3.77Å
46	I	91.3	Very high	90.9	Very high	22 Å²	22	26.5 Å²	26.5	11%	0.113	13%	0.129	C	C	.	.	S	Bend	trans	-144.8	130.9	174.3	-172.8	170.6	0	0	0	110.6	V12 H42 P43 D50 M51	V12-I46 HydrophobicContact CG1-CD1 4.11Å; V12-I46 HydrophobicContact CG1-CG2 4.14Å; H42-I46 CarbonylContact C-O 3.3Å; H42-I46 HydrophobicContact CB-CG2 4.02Å; H42-I46 PolarHBondContact O-N 2.91Å; P43-I46 WeakPolarHBondContact CA-O 3.21Å; I46-D50 HydrophobicContact CD1-CB 4.1Å; I46-D50 HydrophobicContact CG1-CB 3.81Å; I46-M51 HydrophobicContact CD1-CB 4.36Å; I46-M51 HydrophobicContact CG2-CB 4.33Å
47	P	91.9	Very high	90.6	Very high	68 Å²	68	28.1 Å²	28.1	44%	0.442	14%	0.142	S	C	.	.			trans	-56.8	141.9	172.6	-25.5	35.2	0	0	0	112	T49 D50 M51	P47-T49 PolarHBondContact O-N 3.36Å; P47-T49 VanDerWaalsContact O-N 3.15Å; P47-D50 HydrophobicContact CB-CB 4.32Å; P47-D50 WeakPolarHBondContact CG-OD2 3.3Å; P47-D50 PolarHBondContact O-N 3.31Å; P47-M51 PolarHBondContact O-N 2.89Å
48	S	92.7	Very high	90.1	Very high	14 Å²	14	29.4 Å²	29.4	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-56.4	-33.2	178.9	-47.2	0	0	0	0	113.2	H42 A52	H42-S48 VanDerWaalsContact NE2-CA 3.29Å; H42-S48 WeakPolarHBondContact NE2-CA 3.49Å; H42-S48 VanDerWaalsContact NE2-CB 3.28Å; H42-S48 WeakPolarHBondContact NE2-CB 3.35Å; H42-S48 PolarHBondContact NE2-OG 3.08Å; S48-A52 WeakPolarHBondContact O-CB 3.24Å; S48-A52 PolarHBondContact O-N 2.85Å
49	T	92.1	Very high	89.2	Confident	14 Å²	14	29.6 Å²	29.6	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-44.3	172.8	43.3	0	0	0	0	112.1	P47 M51 A52 R53 E94 L95 Q98	P47-T49 PolarHBondContact O-N 3.36Å; P47-T49 VanDerWaalsContact O-N 3.15Å; T49-M51 VanDerWaalsContact C-N 3.34Å; T49-M51 PolarHBondContact O-N 3.38Å; T49-A52 PolarHBondContact O-N 3.03Å; T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.43Å; T49-E94 HydrophobicContact CG2-CB 3.71Å; T49-L95 HydrophobicContact CG2-CB 4.29Å; T49-Q98 PolarHBondContact O-OE1 3.45Å
50	D	91.4	Very high	88	Confident	61 Å²	61	38.1 Å²	38.1	33%	0.326	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-33.9	177.4	-66.4	-18.8	0	0	0	112	I46 P47 R53 K54	I46-D50 HydrophobicContact CD1-CB 4.1Å; I46-D50 HydrophobicContact CG1-CB 3.81Å; P47-D50 HydrophobicContact CB-CB 4.32Å; P47-D50 WeakPolarHBondContact CG-OD2 3.3Å; P47-D50 PolarHBondContact O-N 3.31Å; D50-R53 IonicContact OD1-CZ 2.77Å; D50-R53 IonicContact OD1-NH1 3.21Å; D50-R53 PolarHBondContact OD1-NH1 3.2Å; D50-R53 IonicContact OD1-NH2 2.7Å; D50-R53 PolarHBondContact OD1-NH2 3.04Å; D50-R53 VanDerWaalsContact OD1-NH2 3.11Å; D50-K54 WeakPolarHBondContact O-CB 3.22Å; D50-K54 PolarHBondContact O-N 3.42Å
51	M	91.8	Very high	86.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-47.4	170.7	175.1	167.5	164.5	0	0	112	F38 L39 H42 I46 P47 T49 R53 K54 L55 W81	F38-M51 HydrophobicContact CD1-CE 4.22Å; F38-M51 HydrophobicContact CE1-CE 3.57Å; F38-M51 HydrophobicContact CE1-SD 3.75Å; F38-M51 HydrophobicContact CZ-SD 4.19Å; L39-M51 HydrophobicContact CD2-CE 3.61Å; H42-M51 HydrophobicContact CB-SD 3.87Å; H42-M51 VanDerWaalsContact CG-SD 3.53Å; I46-M51 HydrophobicContact CD1-CB 4.36Å; I46-M51 HydrophobicContact CG2-CB 4.33Å; P47-M51 PolarHBondContact O-N 2.89Å; T49-M51 VanDerWaalsContact C-N 3.34Å; T49-M51 PolarHBondContact O-N 3.38Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.78Å; M51-K54 PolarHBondContact O-N 2.74Å; M51-K54 VanDerWaalsContact O-N 3.16Å; M51-L55 HydrophobicContact CE-CD1 4.16Å; M51-L55 WeakPolarHBondContact O-CG 3.14Å; M51-L55 PolarHBondContact O-N 3.1Å; M51-W81 HydrophobicContact CB-CH2 4.43Å; M51-W81 HydrophobicContact CE-CE3 4.08Å; M51-W81 HydrophobicContact CE-CH2 4.32Å; M51-W81 HydrophobicContact CE-CZ3 3.96Å; M51-W81 HydrophobicContact CG-CH2 4.13Å; M51-W81 HydrophobicContact CG-CZ3 4.2Å; M51-W81 HydrophobicContact SD-CH2 4.23Å; M51-W81 HydrophobicContact SD-CZ3 4.41Å
52	A	90	Very high	84.5	Confident	6 Å²	6	51.1 Å²	51.1	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-44.2	175.8	0	0	0	0	0	111.5	S48 T49 K54 L55 L56 L95 Q98 I99	S48-A52 WeakPolarHBondContact O-CB 3.24Å; S48-A52 PolarHBondContact O-N 2.85Å; T49-A52 PolarHBondContact O-N 3.03Å; A52-K54 VanDerWaalsContact C-N 3.33Å; A52-K54 PolarHBondContact O-N 3.37Å; A52-L55 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 PolarHBondContact O-N 3.15Å; A52-L95 HydrophobicContact CB-CD1 3.72Å; A52-Q98 HydrophobicContact CB-CB 4.44Å; A52-I99 HydrophobicContact CB-CD1 4.13Å
53	R	89.3	Confident	82.3	Confident	104 Å²	104	57.7 Å²	57.7	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-36	174.8	-157.2	-176.9	-50.5	107.7	9.9	113	T49 D50 M51 N57	T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.43Å; D50-R53 IonicContact OD1-CZ 2.77Å; D50-R53 IonicContact OD1-NH1 3.21Å; D50-R53 PolarHBondContact OD1-NH1 3.2Å; D50-R53 IonicContact OD1-NH2 2.7Å; D50-R53 PolarHBondContact OD1-NH2 3.04Å; D50-R53 VanDerWaalsContact OD1-NH2 3.11Å; M51-R53 VanDerWaalsContact C-N 3.33Å; M51-R53 PolarHBondContact O-N 2.78Å; R53-N57 WeakPolarHBondContact O-CB 3.39Å; R53-N57 VanDerWaalsContact O-CG 3.26Å; R53-N57 PolarHBondContact O-N 3.15Å; R53-N57 PolarHBondContact O-ND2 2.9Å
54	K	88.6	Confident	80.1	Confident	60 Å²	60	66.5 Å²	66.5	26%	0.261	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-43.4	174	178.6	167.5	-81.7	-83.7	0	111.5	D13 D50 M51 A52 N57 L58	D13-K54 WeakPolarHBondContact OD1-CD 3.47Å; D13-K54 WeakPolarHBondContact OD1-CE 3.34Å; D13-K54 IonicContact OD1-NZ 3.5Å; D13-K54 PolarHBondContact OD1-NZ 3.46Å; D13-K54 IonicContact OD2-NZ 3.55Å; D13-K54 PolarHBondContact OD2-NZ 2.93Å; D50-K54 WeakPolarHBondContact O-CB 3.22Å; D50-K54 PolarHBondContact O-N 3.42Å; M51-K54 PolarHBondContact O-N 2.74Å; M51-K54 VanDerWaalsContact O-N 3.16Å; A52-K54 VanDerWaalsContact C-N 3.33Å; A52-K54 PolarHBondContact O-N 3.37Å; K54-N57 PolarHBondContact O-N 3.48Å; K54-L58 HydrophobicContact CG-CD1 4.35Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 3.42Å
55	L	87.1	Confident	78.1	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.4	-67.4	174.1	0	0	0	111.9	V16 I20 M51 A52 N57 L58 T59 I74 L77 V78 W81	V16-L55 HydrophobicContact CG1-CD2 3.82Å; I20-L55 HydrophobicContact CD1-CD2 4.37Å; M51-L55 HydrophobicContact CE-CD1 4.16Å; M51-L55 WeakPolarHBondContact O-CG 3.14Å; M51-L55 PolarHBondContact O-N 3.1Å; A52-L55 PolarHBondContact O-N 3.26Å; L55-N57 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 2.82Å; L55-T59 PolarHBondContact O-N 2.89Å; L55-T59 VanDerWaalsContact O-N 3.11Å; L55-T59 PolarHBondContact O-OG1 3.47Å; L55-I74 HydrophobicContact CB-CG2 4.49Å; L55-L77 HydrophobicContact CD2-CD2 4.04Å; L55-V78 HydrophobicContact CD1-CG2 3.96Å; L55-W81 HydrophobicContact CD1-CE3 4.37Å; L55-W81 HydrophobicContact CD1-CZ3 4.17Å
56	L	83.4	Confident	76.5	Confident	33 Å²	33	68.2 Å²	68.2	17%	0.173	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-44.9	174.6	-179.7	65.1	0	0	0	112	A52 L58 T59 R60 F102 L105	A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 PolarHBondContact O-N 3.15Å; L56-L58 PolarHBondContact O-N 3.25Å; L56-T59 WeakPolarHBondContact CA-OG1 3.43Å; L56-T59 PolarHBondContact O-N 3.01Å; L56-T59 VanDerWaalsContact O-N 3.15Å; L56-T59 PolarHBondContact O-OG1 2.93Å; L56-T59 VanDerWaalsContact O-OG1 3.05Å; L56-R60 PolarHBondContact O-N 3.17Å; L56-F102 HydrophobicContact CD1-CB 4.02Å; L56-F102 HydrophobicContact CD1-CD2 3.53Å; L56-F102 HydrophobicContact CD1-CE2 4.41Å; L56-F102 HydrophobicContact CD1-CG 4.13Å; L56-L105 HydrophobicContact CD1-CD2 3.68Å
57	N	84.3	Confident	75.4	Confident	90 Å²	90	70.5 Å²	70.5	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-37.7	177.8	-75.7	-23.7	0	0	0	112.5	R53 K54 L55 T59 R60 S61	R53-N57 WeakPolarHBondContact O-CB 3.39Å; R53-N57 VanDerWaalsContact O-CG 3.26Å; R53-N57 PolarHBondContact O-N 3.15Å; R53-N57 PolarHBondContact O-ND2 2.9Å; K54-N57 PolarHBondContact O-N 3.48Å; L55-N57 PolarHBondContact O-N 2.89Å; N57-T59 PolarHBondContact O-N 3.45Å; N57-R60 PolarHBondContact O-N 3.09Å; N57-S61 PolarHBondContact O-N 2.95Å
58	L	81.8	Confident	74.5	Confident	41 Å²	41	72.1 Å²	72.1	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-25.2	173.3	-71.4	170.1	0	0	0	112.7	V16 I20 K54 L55 L56 S61 I74	V16-L58 HydrophobicContact CG1-CD1 3.82Å; I20-L58 HydrophobicContact CD1-CD1 4.12Å; K54-L58 HydrophobicContact CG-CD1 4.35Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 3.42Å; L55-L58 PolarHBondContact O-N 2.82Å; L56-L58 PolarHBondContact O-N 3.25Å; L58-S61 PolarHBondContact O-OG 3.28Å; L58-I74 HydrophobicContact CB-CD1 4.13Å
59	T	73.9	Confident	73.8	Confident	8 Å²	8	75.6 Å²	75.6	5%	0.049	36%	0.357	C	S	.	.	H	α-helix	trans	-78.2	-35.6	171.6	0.2	0	0	0	0	112.5	L55 L56 N57 R71 I74 F102	L55-T59 PolarHBondContact O-N 2.89Å; L55-T59 VanDerWaalsContact O-N 3.11Å; L55-T59 PolarHBondContact O-OG1 3.47Å; L56-T59 WeakPolarHBondContact CA-OG1 3.43Å; L56-T59 PolarHBondContact O-N 3.01Å; L56-T59 VanDerWaalsContact O-N 3.15Å; L56-T59 PolarHBondContact O-OG1 2.93Å; L56-T59 VanDerWaalsContact O-OG1 3.05Å; N57-T59 PolarHBondContact O-N 3.45Å; T59-R71 HydrophobicContact CG2-CB 4.26Å; T59-R71 HydrophobicContact CG2-CG 3.58Å; T59-I74 HydrophobicContact CG2-CD1 4.35Å; T59-F102 HydrophobicContact CG2-CE2 3.89Å; T59-F102 HydrophobicContact CG2-CZ 4.2Å; T59-F102 VanDerWaalsContact OG1-CE2 3.31Å; T59-F102 WeakPolarHBondContact OG1-CE2 3.01Å
60	R	69	Low	73.3	Confident	179 Å²	179	77.2 Å²	77.2	68%	0.675	36%	0.362	S	S	*	.	H	α-helix	trans	-80.6	-19.1	-178	-169.9	176.9	-177.8	-178.7	3.8	114.4	L56 N57 R62	L56-R60 PolarHBondContact O-N 3.17Å; N57-R60 PolarHBondContact O-N 3.09Å; R60-R62 PolarHBondContact O-N 2.91Å
61	S	61.4	Low	72.9	Confident	32 Å²	32	75.8 Å²	75.8	22%	0.224	35%	0.351	C	S	.	.			trans	-59.8	103.9	-175.2	58.7	0	0	0	0	111.1	N57 L58 E63	N57-S61 PolarHBondContact O-N 2.95Å; L58-S61 PolarHBondContact O-OG 3.28Å; S61-E63 PolarHBondContact O-N 2.91Å
62	R	50.1	Low	72.6	Confident	252 Å²	252	77 Å²	77	95%	0.951	36%	0.359	S	S	*	.			trans	-78	26.1	-176.6	-149.2	-176	-166.6	-164.5	4.6	113	R60	R60-R62 PolarHBondContact O-N 2.91Å
63	E	45.9	Very low	72.5	Confident	137 Å²	137	79.4 Å²	79.4	64%	0.64	37%	0.367	S	S	*	.	S	Bend	trans	-74.4	151.2	171	-66.9	-175.3	163.4	0	0	109.5	S61 S65 C66	S61-E63 PolarHBondContact O-N 2.91Å; E63-S65 PolarHBondContact O-N 3.23Å; E63-C66 PolarHBondContact O-N 2.83Å
64	E	46.1	Very low	72.5	Confident	216 Å²	216	74.5 Å²	74.5	100%	1.009	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	7.1	-176.4	-59.5	174.6	141.3	0	0	113.8
65	S	48.1	Very low	72.4	Confident	64 Å²	64	71.6 Å²	71.6	45%	0.448	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-10.7	-176.9	65.7	0	0	0	0	114.8	E63 T67	E63-S65 PolarHBondContact O-N 3.23Å; S65-T67 PolarHBondContact O-N 3.05Å; S65-T67 VanDerWaalsContact O-N 3.09Å
66	C	56.1	Low	72.5	Confident	26 Å²	26	72.6 Å²	72.6	18%	0.176	34%	0.34	C	S	.	.			trans	-83.7	84.7	-179.4	-164.2	0	0	0	0	111.6	E63	E63-C66 PolarHBondContact O-N 2.83Å
67	T	67.7	Low	72.9	Confident	70 Å²	70	71 Å²	71	43%	0.429	33%	0.332	S	S	.	.			trans	-70.8	153.2	176.7	59.9	0	0	0	0	112.3	S65 E69 R70 R71	S65-T67 PolarHBondContact O-N 3.05Å; S65-T67 VanDerWaalsContact O-N 3.09Å; T67-E69 PolarHBondContact O-N 3.3Å; T67-E69 VanDerWaalsContact O-N 3.16Å; T67-R70 WeakPolarHBondContact O-CB 3.45Å; T67-R70 PolarHBondContact O-N 3.49Å; T67-R70 PolarHBondContact OG1-N 2.89Å; T67-R71 PolarHBondContact O-N 3.11Å
68	E	73.4	Confident	73.2	Confident	102 Å²	102	66.8 Å²	66.8	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-54.3	-32.3	172.3	-72	-56.3	138.6	0	0	112.7	R71 T72	E68-R71 IonicContact OE1-CZ 3.95Å; E68-R71 IonicContact OE1-NH1 2.69Å; E68-R71 PolarHBondContact OE1-NH1 3.39Å; E68-R71 IonicContact OE1-NH2 3.83Å; E68-R71 IonicContact OE2-CZ 2.76Å; E68-R71 IonicContact OE2-NH1 3.97Å; E68-R71 PolarHBondContact OE2-NH1 3.5Å; E68-T72 VanDerWaalsContact O-CB 3.3Å; E68-T72 WeakPolarHBondContact O-CB 3.35Å; E68-T72 PolarHBondContact O-N 3.15Å; E68-T72 PolarHBondContact O-OG1 3.16Å
69	E	77.9	Confident	73.6	Confident	87 Å²	87	69.4 Å²	69.4	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-59.9	-45.9	171.8	-62.3	171.2	-146.7	0	0	112.1	E25 T67 T72 R73	E25-E69 HydrophobicContact CG-CB 4.35Å; E25-E69 HydrophobicContact CG-CG 4.07Å; T67-E69 PolarHBondContact O-N 3.3Å; T67-E69 VanDerWaalsContact O-N 3.16Å; E69-T72 PolarHBondContact O-N 3.2Å; E69-R73 WeakPolarHBondContact O-CG 3.45Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.95Å; E69-R73 IonicContact OE2-NH2 2.87Å; E69-R73 PolarHBondContact OE2-NH2 2.97Å
70	R	82.4	Confident	74.4	Confident	49 Å²	49	70.9 Å²	70.9	19%	0.185	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-44.4	-179.1	-165.1	179.6	-171.6	-160.1	0.6	110.8	E17 I20 T67 T72 R73 I74	E17-R70 IonicContact OE2-CZ 3.86Å; E17-R70 IonicContact OE2-NE 3.92Å; E17-R70 PolarHBondContact OE2-NE 3.32Å; E17-R70 IonicContact OE2-NH2 3.83Å; E17-R70 PolarHBondContact OE2-NH2 3.5Å; I20-R70 HydrophobicContact CG2-CG 4.44Å; T67-R70 WeakPolarHBondContact O-CB 3.45Å; T67-R70 PolarHBondContact O-N 3.49Å; T67-R70 PolarHBondContact OG1-N 2.89Å; R70-T72 VanDerWaalsContact C-N 3.31Å; R70-T72 PolarHBondContact O-N 2.86Å; R70-R73 PolarHBondContact O-N 2.98Å; R70-I74 HydrophobicContact CG-CD1 4.44Å; R70-I74 WeakPolarHBondContact O-CG1 3.25Å; R70-I74 PolarHBondContact O-N 2.91Å
71	R	82.9	Confident	75.5	Confident	30 Å²	30	62.3 Å²	62.3	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-44.4	173	-175.6	170.7	-39.2	117.5	10.1	111.5	T59 T67 E68 R73 I74 C75 L106 N111	T59-R71 HydrophobicContact CG2-CB 4.26Å; T59-R71 HydrophobicContact CG2-CG 3.58Å; T67-R71 PolarHBondContact O-N 3.11Å; E68-R71 IonicContact OE1-CZ 3.95Å; E68-R71 IonicContact OE1-NH1 2.69Å; E68-R71 PolarHBondContact OE1-NH1 3.39Å; E68-R71 IonicContact OE1-NH2 3.83Å; E68-R71 IonicContact OE2-CZ 2.76Å; E68-R71 IonicContact OE2-NH1 3.97Å; E68-R71 PolarHBondContact OE2-NH1 3.5Å; R71-R73 PolarHBondContact O-N 2.96Å; R71-I74 PolarHBondContact O-N 3.43Å; R71-C75 PolarHBondContact O-N 2.9Å; R71-C75 PolarHBondContact O-SG 3.48Å; R71-L106 HydrophobicContact CG-CD2 4.29Å; R71-N111 PolarHBondContact NH1-ND2 2.76Å
72	T	84.9	Confident	76.9	Confident	29 Å²	29	61.2 Å²	61.2	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-41.6	177.6	-58.7	0	0	0	0	112	E68 E69 R70 C75 H76 Q114	E68-T72 VanDerWaalsContact O-CB 3.3Å; E68-T72 WeakPolarHBondContact O-CB 3.35Å; E68-T72 PolarHBondContact O-N 3.15Å; E68-T72 PolarHBondContact O-OG1 3.16Å; E69-T72 PolarHBondContact O-N 3.2Å; R70-T72 VanDerWaalsContact C-N 3.31Å; R70-T72 PolarHBondContact O-N 2.86Å; T72-C75 PolarHBondContact O-N 3.43Å; T72-H76 PolarHBondContact O-N 3.12Å; T72-H76 PolarHBondContact O-ND1 3.21Å; T72-Q114 PolarHBondContact OG1-NE2 3.2Å
73	R	87.9	Confident	78.7	Confident	56 Å²	56	52.9 Å²	52.9	21%	0.211	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-39.4	175.3	-69.8	174.3	-159.9	150.4	14.9	112.5	I20 F23 E25 E69 R70 R71 C75 H76 L77	I20-R73 HydrophobicContact CG2-CB 3.81Å; F23-R73 HydrophobicContact CB-CB 4.48Å; F23-R73 HydrophobicContact CB-CG 4.36Å; F23-R73 VanDerWaalsContact O-CD 3.28Å; F23-R73 WeakPolarHBondContact O-CD 3.39Å; E25-R73 IonicContact OE1-NH2 3.79Å; E69-R73 WeakPolarHBondContact O-CG 3.45Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.95Å; E69-R73 IonicContact OE2-NH2 2.87Å; E69-R73 PolarHBondContact OE2-NH2 2.97Å; R70-R73 PolarHBondContact O-N 2.98Å; R71-R73 PolarHBondContact O-N 2.96Å; R73-C75 VanDerWaalsContact C-N 3.34Å; R73-C75 PolarHBondContact O-N 2.9Å; R73-H76 PolarHBondContact O-N 3.24Å; R73-L77 PolarHBondContact O-N 2.85Å
74	I	88.4	Confident	80.6	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.7	-44	173	-68.1	164.5	0	0	0	110.8	I20 L55 L58 T59 R70 R71 H76 L77 V78 F102	I20-I74 HydrophobicContact CD1-CD1 4.3Å; I20-I74 HydrophobicContact CD1-CG1 3.75Å; I20-I74 HydrophobicContact CG1-CG1 3.99Å; I20-I74 HydrophobicContact CG2-CG1 4.11Å; L55-I74 HydrophobicContact CB-CG2 4.49Å; L58-I74 HydrophobicContact CB-CD1 4.13Å; T59-I74 HydrophobicContact CG2-CD1 4.35Å; R70-I74 HydrophobicContact CG-CD1 4.44Å; R70-I74 WeakPolarHBondContact O-CG1 3.25Å; R70-I74 PolarHBondContact O-N 2.91Å; R71-I74 PolarHBondContact O-N 3.43Å; I74-H76 VanDerWaalsContact C-N 3.33Å; I74-H76 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 2.69Å; I74-V78 WeakPolarHBondContact O-CG2 3.25Å; I74-V78 PolarHBondContact O-N 3.2Å; I74-F102 HydrophobicContact CG2-CZ 4.11Å
75	C	87.8	Confident	82.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-37.1	177.5	-61.4	0	0	0	0	112.2	R71 T72 R73 K79 Q114 L117	R71-C75 PolarHBondContact O-N 2.9Å; R71-C75 PolarHBondContact O-SG 3.48Å; T72-C75 PolarHBondContact O-N 3.43Å; R73-C75 VanDerWaalsContact C-N 3.34Å; R73-C75 PolarHBondContact O-N 2.9Å; C75-K79 VanDerWaalsContact O-CB 3.29Å; C75-K79 WeakPolarHBondContact O-CB 3.34Å; C75-K79 PolarHBondContact O-N 2.77Å; C75-Q114 HydrophobicContact CB-CB 4.49Å; C75-L117 HydrophobicContact CB-CD1 3.92Å
76	H	89.7	Confident	84.5	Confident	23 Å²	23	38.8 Å²	38.8	11%	0.106	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-38.8	172.9	-72	116.8	0	0	0	113.1	F23 E25 G27 T72 R73 I74 K79 Y80	F23-H76 HydrophobicContact CB-CB 4.38Å; F23-H76 HydrophobicContact CD1-CB 3.7Å; F23-H76 HydrophobicContact CE1-CB 4.18Å; F23-H76 HydrophobicContact CG-CB 4.08Å; E25-H76 PolarHBondContact O-CE1 3.06Å; G27-H76 WeakPolarHBondContact CA-CD2 3.36Å; G27-H76 PolarHBondContact N-CE1 2.93Å; T72-H76 PolarHBondContact O-N 3.12Å; T72-H76 PolarHBondContact O-ND1 3.21Å; R73-H76 PolarHBondContact O-N 3.24Å; I74-H76 VanDerWaalsContact C-N 3.33Å; I74-H76 PolarHBondContact O-N 3.37Å; H76-K79 PolarHBondContact O-N 3.07Å; H76-Y80 WeakPolarHBondContact O-CB 3.37Å; H76-Y80 PolarHBondContact O-N 2.99Å
77	L	91.2	Very high	85.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-45.9	173.3	174.1	63.5	0	0	0	111.8	C19 I20 F23 V35 L39 L55 R73 I74 Y80 W81	C19-L77 HydrophobicContact CB-CD1 4.12Å; C19-L77 HydrophobicContact CB-CD2 4.15Å; I20-L77 HydrophobicContact CG1-CD2 3.79Å; F23-L77 HydrophobicContact CD2-CB 4.24Å; F23-L77 HydrophobicContact CE2-CB 3.82Å; F23-L77 HydrophobicContact CE2-CD1 3.78Å; F23-L77 HydrophobicContact CE2-CG 4.4Å; F23-L77 HydrophobicContact CZ-CB 4.41Å; F23-L77 HydrophobicContact CZ-CD1 4.37Å; V35-L77 HydrophobicContact CG1-CD1 3.8Å; L39-L77 HydrophobicContact CD1-CD1 4.24Å; L39-L77 HydrophobicContact CD2-CD1 4.37Å; L55-L77 HydrophobicContact CD2-CD2 4.04Å; R73-L77 PolarHBondContact O-N 2.85Å; I74-L77 PolarHBondContact O-N 2.69Å; L77-Y80 PolarHBondContact O-N 2.9Å; L77-W81 WeakPolarHBondContact O-CB 3.36Å; L77-W81 PolarHBondContact O-N 3.09Å
78	V	90.6	Very high	86.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-44.2	176.9	171.3	0	0	0	0	111.1	L55 I74 Y80 W81 I82 I99 F102 I118	L55-V78 HydrophobicContact CD1-CG2 3.96Å; I74-V78 WeakPolarHBondContact O-CG2 3.25Å; I74-V78 PolarHBondContact O-N 3.2Å; V78-Y80 VanDerWaalsContact C-N 3.33Å; V78-Y80 PolarHBondContact O-N 2.9Å; V78-W81 PolarHBondContact O-N 2.75Å; V78-I82 HydrophobicContact CG1-CD1 3.86Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 2.75Å; V78-I99 HydrophobicContact CG1-CD1 4.19Å; V78-I99 HydrophobicContact CG1-CG2 4.4Å; V78-F102 HydrophobicContact CB-CE1 4.41Å; V78-F102 HydrophobicContact CG1-CE1 4.45Å; V78-F102 HydrophobicContact CG2-CE1 3.97Å; V78-I118 HydrophobicContact CG1-CD1 4.23Å; V78-I118 HydrophobicContact CG1-CG1 4.35Å; V78-I118 HydrophobicContact CG1-CG2 4.41Å
79	K	90.4	Very high	87.1	Confident	97 Å²	97	30.6 Å²	30.6	42%	0.422	15%	0.148	S	C	.	.	H	α-helix	trans	-56.7	-45.3	173	178	178.9	176.4	-179.8	0	112.1	C75 H76 I82 S83 L117	C75-K79 VanDerWaalsContact O-CB 3.29Å; C75-K79 WeakPolarHBondContact O-CB 3.34Å; C75-K79 PolarHBondContact O-N 2.77Å; H76-K79 PolarHBondContact O-N 3.07Å; K79-I82 PolarHBondContact O-N 2.76Å; K79-S83 PolarHBondContact O-N 3.44Å; K79-S83 PolarHBondContact O-OG 2.93Å; K79-L117 WeakPolarHBondContact CB-O 3.24Å; K79-L117 HydrophobicContact CD-CB 4.19Å; K79-L117 HydrophobicContact CD-CD2 4.05Å; K79-L117 WeakPolarHBondContact CG-O 3.34Å
80	Y	90.8	Very high	87.4	Confident	38 Å²	38	27.5 Å²	27.5	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-44.5	178.3	-175.8	-107.3	0	0	0	111.7	F23 L29 V35 L39 H76 L77 V78 I82 S83 E84	F23-Y80 HydrophobicContact CE1-CG 4.26Å; F23-Y80 HydrophobicContact CZ-CD1 4.03Å; F23-Y80 AromaticContact CZ-CG 3.83Å; F23-Y80 HydrophobicContact CZ-CG 3.83Å; L29-Y80 HydrophobicContact CD2-CD2 4.41Å; L29-Y80 HydrophobicContact CD2-CE1 4.1Å; L29-Y80 HydrophobicContact CD2-CE2 3.91Å; V35-Y80 HydrophobicContact CB-CE1 4.41Å; V35-Y80 HydrophobicContact CG1-CD1 3.79Å; V35-Y80 HydrophobicContact CG1-CE1 3.79Å; L39-Y80 HydrophobicContact CD1-CD1 3.66Å; L39-Y80 HydrophobicContact CD1-CE1 4.06Å; H76-Y80 WeakPolarHBondContact O-CB 3.37Å; H76-Y80 PolarHBondContact O-N 2.99Å; L77-Y80 PolarHBondContact O-N 2.9Å; V78-Y80 VanDerWaalsContact C-N 3.33Å; V78-Y80 PolarHBondContact O-N 2.9Å; Y80-I82 PolarHBondContact O-N 2.83Å; Y80-S83 WeakPolarHBondContact CA-OG 3.5Å; Y80-S83 PolarHBondContact O-N 2.85Å; Y80-S83 VanDerWaalsContact O-N 3.15Å; Y80-S83 PolarHBondContact O-OG 3.36Å; Y80-E84 HydrophobicContact CD1-CG 4.35Å; Y80-E84 HydrophobicContact CD2-CG 4.19Å; Y80-E84 HydrophobicContact CE1-CG 3.89Å; Y80-E84 HydrophobicContact CE2-CG 3.69Å; Y80-E84 HydrophobicContact CG-CG 4.49Å; Y80-E84 PolarHBondContact O-N 3.43Å
81	W	92	Very high	87.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-46.1	175.8	-173.9	11.9	0	0	0	112.1	L39 H42 M51 L55 L77 V78 S83 F85 E88 F89 L95	L39-W81 HydrophobicContact CD1-CB 3.87Å; L39-W81 HydrophobicContact CD1-CG 4.28Å; L39-W81 HydrophobicContact CD2-CB 3.91Å; L39-W81 HydrophobicContact CD2-CD2 3.87Å; L39-W81 HydrophobicContact CD2-CE3 4.38Å; L39-W81 HydrophobicContact CD2-CG 3.65Å; L39-W81 HydrophobicContact CG-CG 4.47Å; H42-W81 AromaticContact CE1-CE2 3.86Å; H42-W81 AromaticContact CE1-CZ2 3.42Å; H42-W81 VanDerWaalsContact CE1-CZ2 3.42Å; H42-W81 WeakPolarHBondContact CE1-CZ2 3.41Å; H42-W81 AromaticContact CE1-NE1 3.99Å; H42-W81 AromaticContact NE2-CZ2 3.57Å; M51-W81 HydrophobicContact CB-CH2 4.43Å; M51-W81 HydrophobicContact CE-CE3 4.08Å; M51-W81 HydrophobicContact CE-CH2 4.32Å; M51-W81 HydrophobicContact CE-CZ3 3.96Å; M51-W81 HydrophobicContact CG-CH2 4.13Å; M51-W81 HydrophobicContact CG-CZ3 4.2Å; M51-W81 HydrophobicContact SD-CH2 4.23Å; M51-W81 HydrophobicContact SD-CZ3 4.41Å; L55-W81 HydrophobicContact CD1-CE3 4.37Å; L55-W81 HydrophobicContact CD1-CZ3 4.17Å; L77-W81 WeakPolarHBondContact O-CB 3.36Å; L77-W81 PolarHBondContact O-N 3.09Å; V78-W81 PolarHBondContact O-N 2.75Å; W81-S83 VanDerWaalsContact C-N 3.31Å; W81-S83 PolarHBondContact O-N 3.48Å; W81-F85 AromaticContact CD1-CD2 3.92Å; W81-F85 PolarHBondContact O-N 2.92Å; W81-E88 PolarHBondContact NE1-OE2 3.49Å; W81-F89 HydrophobicContact CB-CZ 4.3Å; W81-F89 AromaticContact CD1-CE2 3.75Å; W81-F89 AromaticContact CD1-CZ 3.84Å; W81-F89 HydrophobicContact CD2-CE1 4.42Å; W81-F89 HydrophobicContact CD2-CE2 4.21Å; W81-F89 AromaticContact CD2-CZ 3.49Å; W81-F89 HydrophobicContact CD2-CZ 3.49Å; W81-F89 VanDerWaalsContact CD2-CZ 3.49Å; W81-F89 AromaticContact CE2-CZ 3.63Å; W81-F89 AromaticContact CE3-CZ 3.94Å; W81-F89 HydrophobicContact CE3-CZ 3.94Å; W81-F89 AromaticContact CG-CE2 3.95Å; W81-F89 HydrophobicContact CG-CE2 3.95Å; W81-F89 AromaticContact CG-CZ 3.64Å; W81-F89 HydrophobicContact CG-CZ 3.64Å; W81-F89 HydrophobicContact CZ2-CZ 4.19Å; W81-F89 HydrophobicContact CZ3-CZ 4.46Å; W81-F89 AromaticContact NE1-CE2 3.87Å; W81-F89 AromaticContact NE1-CZ 3.82Å; W81-L95 HydrophobicContact CH2-CD1 4.03Å; W81-L95 HydrophobicContact CZ2-CD2 4.36Å
82	I	89.7	Confident	87.4	Confident	9 Å²	9	27.5 Å²	27.5	5%	0.046	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-40.1	174.9	-64.9	164.6	0	0	0	111.2	V78 K79 Y80 P86 F89 I99 I118 L120 V123	V78-I82 HydrophobicContact CG1-CD1 3.86Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 2.75Å; K79-I82 PolarHBondContact O-N 2.76Å; Y80-I82 PolarHBondContact O-N 2.83Å; I82-P86 WeakPolarHBondContact O-CA 3.32Å; I82-P86 WeakPolarHBondContact O-CB 3.49Å; I82-P86 WeakPolarHBondContact O-CD 3.32Å; I82-F89 HydrophobicContact CB-CE2 4.27Å; I82-F89 HydrophobicContact CG1-CD1 4.35Å; I82-F89 HydrophobicContact CG1-CD2 4.16Å; I82-F89 HydrophobicContact CG1-CE1 4.04Å; I82-F89 HydrophobicContact CG1-CE2 3.83Å; I82-F89 HydrophobicContact CG1-CG 4.41Å; I82-F89 HydrophobicContact CG1-CZ 3.75Å; I82-I99 HydrophobicContact CD1-CG2 4.14Å; I82-I118 HydrophobicContact CD1-CG2 3.98Å; I82-L120 HydrophobicContact CD1-CD2 4Å; I82-L120 HydrophobicContact CG1-CD2 4.32Å; I82-V123 HydrophobicContact CG2-CG2 3.65Å
83	S	87.8	Confident	87.5	Confident	77 Å²	77	29.8 Å²	29.8	54%	0.538	16%	0.156	S	C	.	.	H	α-helix	trans	-74	-37.3	-178.6	64	0	0	0	0	114.7	K79 Y80 W81	K79-S83 PolarHBondContact O-N 3.44Å; K79-S83 PolarHBondContact O-OG 2.93Å; Y80-S83 WeakPolarHBondContact CA-OG 3.5Å; Y80-S83 PolarHBondContact O-N 2.85Å; Y80-S83 VanDerWaalsContact O-N 3.15Å; Y80-S83 PolarHBondContact O-OG 3.36Å; W81-S83 VanDerWaalsContact C-N 3.31Å; W81-S83 PolarHBondContact O-N 3.48Å
84	E	87.2	Confident	87.6	Confident	75 Å²	75	32.9 Å²	32.9	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-83.3	-36.7	-180	-74.2	-72.5	121.3	0	0	112.5	R36 Y80 P86	R36-E84 IonicContact CZ-OE2 2.68Å; R36-E84 IonicContact NE-OE2 2.67Å; R36-E84 PolarHBondContact NE-OE2 3.43Å; R36-E84 IonicContact NH2-OE2 3.43Å; Y80-E84 HydrophobicContact CD1-CG 4.35Å; Y80-E84 HydrophobicContact CD2-CG 4.19Å; Y80-E84 HydrophobicContact CE1-CG 3.89Å; Y80-E84 HydrophobicContact CE2-CG 3.69Å; Y80-E84 HydrophobicContact CG-CG 4.49Å; Y80-E84 PolarHBondContact O-N 3.43Å; E84-P86 WeakPolarHBondContact O-CD 3.44Å
85	F	88.6	Confident	87.7	Confident	26 Å²	26	32.9 Å²	32.9	11%	0.114	17%	0.172	C	C	.	.			trans	-122.8	47.5	-174.8	-54	-86.2	0	0	0	113.7	R36 L39 M40 W81 A87 E88	R36-F85 HydrophobicContact CG-CZ 4.14Å; L39-F85 HydrophobicContact CB-CD2 4.06Å; L39-F85 HydrophobicContact CB-CE2 3.61Å; L39-F85 HydrophobicContact CB-CZ 4.4Å; L39-F85 HydrophobicContact CD1-CE2 4.45Å; M40-F85 HydrophobicContact CB-CE1 3.75Å; M40-F85 HydrophobicContact CB-CZ 3.75Å; M40-F85 HydrophobicContact CG-CE1 3.97Å; M40-F85 HydrophobicContact CG-CZ 4.46Å; M40-F85 HydrophobicContact SD-CE1 4.29Å; W81-F85 AromaticContact CD1-CD2 3.92Å; W81-F85 PolarHBondContact O-N 2.92Å; F85-A87 PolarHBondContact O-N 3.29Å; F85-E88 HydrophobicContact CB-CG 4.18Å; F85-E88 PolarHBondContact O-N 2.92Å
86	P	87.1	Confident	87.8	Confident	20 Å²	20	35.4 Å²	35.4	13%	0.13	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-21.9	-174.4	25.2	-35.6	0	0	0	114	I82 E84 E88 N90 V123 Y126	I82-P86 WeakPolarHBondContact O-CA 3.32Å; I82-P86 WeakPolarHBondContact O-CB 3.49Å; I82-P86 WeakPolarHBondContact O-CD 3.32Å; E84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-E88 VanDerWaalsContact C-N 3.32Å; P86-E88 PolarHBondContact O-N 3.41Å; P86-N90 PolarHBondContact O-N 2.96Å; P86-V123 HydrophobicContact CB-CG1 4Å; P86-V123 WeakPolarHBondContact O-CG1 3.43Å; P86-Y126 HydrophobicContact CB-CE2 3.94Å; P86-Y126 HydrophobicContact CG-CE2 3.82Å
87	A	83.2	Confident	87.8	Confident	11 Å²	11	40.1 Å²	40.1	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-31.8	177.9	0	0	0	0	0	112.9	F85 N90 L91 Y126 L173	F85-A87 PolarHBondContact O-N 3.29Å; A87-N90 PolarHBondContact O-N 3.11Å; A87-L91 HydrophobicContact CB-CD1 4.44Å; A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 WeakPolarHBondContact O-CD1 3.46Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.12Å; A87-Y126 HydrophobicContact CB-CD1 3.69Å; A87-Y126 HydrophobicContact CB-CD2 3.95Å; A87-Y126 HydrophobicContact CB-CE1 4.08Å; A87-Y126 HydrophobicContact CB-CE2 4.38Å; A87-Y126 HydrophobicContact CB-CG 3.63Å; A87-L173 HydrophobicContact CB-CD1 3.67Å; A87-L173 HydrophobicContact CB-CD2 4.47Å
88	E	83.8	Confident	87.7	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-50.3	-178.4	-63.8	-178.3	167	0	0	110.8	H42 W81 F85 P86 N90 L91 N92 L95	H42-E88 IonicContact CE1-OE2 2.86Å; W81-E88 PolarHBondContact NE1-OE2 3.49Å; F85-E88 HydrophobicContact CB-CG 4.18Å; F85-E88 PolarHBondContact O-N 2.92Å; P86-E88 VanDerWaalsContact C-N 3.32Å; P86-E88 PolarHBondContact O-N 3.41Å; E88-N90 VanDerWaalsContact C-N 3.34Å; E88-N90 PolarHBondContact O-N 3.38Å; E88-L91 PolarHBondContact O-N 3.33Å; E88-N92 PolarHBondContact O-N 3.05Å; E88-L95 HydrophobicContact CB-CD2 4.35Å
89	F	85.7	Confident	87.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-38.3	177.1	-59.1	-82.9	0	0	0	112.7	W81 I82 L95 I99 L120	W81-F89 HydrophobicContact CB-CZ 4.3Å; W81-F89 AromaticContact CD1-CE2 3.75Å; W81-F89 AromaticContact CD1-CZ 3.84Å; W81-F89 HydrophobicContact CD2-CE1 4.42Å; W81-F89 HydrophobicContact CD2-CE2 4.21Å; W81-F89 AromaticContact CD2-CZ 3.49Å; W81-F89 HydrophobicContact CD2-CZ 3.49Å; W81-F89 VanDerWaalsContact CD2-CZ 3.49Å; W81-F89 AromaticContact CE2-CZ 3.63Å; W81-F89 AromaticContact CE3-CZ 3.94Å; W81-F89 HydrophobicContact CE3-CZ 3.94Å; W81-F89 AromaticContact CG-CE2 3.95Å; W81-F89 HydrophobicContact CG-CE2 3.95Å; W81-F89 AromaticContact CG-CZ 3.64Å; W81-F89 HydrophobicContact CG-CZ 3.64Å; W81-F89 HydrophobicContact CZ2-CZ 4.19Å; W81-F89 HydrophobicContact CZ3-CZ 4.46Å; W81-F89 AromaticContact NE1-CE2 3.87Å; W81-F89 AromaticContact NE1-CZ 3.82Å; I82-F89 HydrophobicContact CB-CE2 4.27Å; I82-F89 HydrophobicContact CG1-CD1 4.35Å; I82-F89 HydrophobicContact CG1-CD2 4.16Å; I82-F89 HydrophobicContact CG1-CE1 4.04Å; I82-F89 HydrophobicContact CG1-CE2 3.83Å; I82-F89 HydrophobicContact CG1-CG 4.41Å; I82-F89 HydrophobicContact CG1-CZ 3.75Å; F89-L95 HydrophobicContact CD1-CD1 4.44Å; F89-L95 HydrophobicContact CD1-CD2 3.76Å; F89-L95 HydrophobicContact CD1-CG 3.72Å; F89-L95 HydrophobicContact CE1-CD1 4.12Å; F89-L95 HydrophobicContact CE1-CD2 3.85Å; F89-L95 HydrophobicContact CE1-CG 3.86Å; F89-L95 HydrophobicContact CG-CD2 4.28Å; F89-L95 HydrophobicContact CZ-CD2 4.46Å; F89-I99 HydrophobicContact CD1-CG1 4.12Å; F89-I99 HydrophobicContact CE1-CD1 4.34Å; F89-I99 HydrophobicContact CE1-CG1 3.81Å; F89-L120 HydrophobicContact CB-CD2 4.39Å; F89-L120 HydrophobicContact CD1-CD2 4.35Å; F89-L120 HydrophobicContact CG-CD2 4.48Å
90	N	82.8	Confident	87.5	Confident	23 Å²	23	41.2 Å²	41.2	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-75.2	-27.6	178.3	-173.9	-110.7	0	0	0	113.7	P86 A87 E88 V123 Y126 K127	P86-N90 PolarHBondContact O-N 2.96Å; A87-N90 PolarHBondContact O-N 3.11Å; E88-N90 VanDerWaalsContact C-N 3.34Å; E88-N90 PolarHBondContact O-N 3.38Å; N90-V123 HydrophobicContact CB-CG1 4.13Å; N90-Y126 PolarHBondContact OD1-N 2.78Å; N90-K127 WeakPolarHBondContact O-CE 3.49Å; N90-K127 PolarHBondContact O-NZ 3.28Å; N90-K127 PolarHBondContact OD1-N 3.27Å
91	L	81.1	Confident	87.3	Confident	38 Å²	38	43.7 Å²	43.7	20%	0.199	23%	0.228	C	C	.	.	H	α-helix	trans	-87.6	-33.2	-176.5	-71.2	167.9	0	0	0	112.7	A87 E88 P93 K127 R130 L173	A87-L91 HydrophobicContact CB-CD1 4.44Å; A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 WeakPolarHBondContact O-CD1 3.46Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.12Å; E88-L91 PolarHBondContact O-N 3.33Å; L91-P93 WeakPolarHBondContact O-CD 3.42Å; L91-K127 HydrophobicContact CD2-CG 3.94Å; L91-R130 VanDerWaalsContact CD1-NH1 3.31Å; L91-L173 HydrophobicContact CD1-CD1 3.47Å; L91-L173 VanDerWaalsContact CD1-CD1 3.47Å
92	N	85.8	Confident	87	Confident	41 Å²	41	44 Å²	44	22%	0.219	23%	0.229	C	C	.	.			trans	-103.2	103.4	180	-175.9	-10.9	0	0	0	111.7	E88 E94 L95 E96	E88-N92 PolarHBondContact O-N 3.05Å; N92-E94 VanDerWaalsContact C-N 3.33Å; N92-E94 PolarHBondContact O-N 3.34Å; N92-E94 PolarHBondContact OD1-N 3.41Å; N92-E94 VanDerWaalsContact OD1-N 3.13Å; N92-L95 HydrophobicContact CB-CB 3.95Å; N92-L95 PolarHBondContact O-N 3.17Å; N92-L95 PolarHBondContact OD1-N 2.95Å; N92-E96 PolarHBondContact O-N 3.31Å; N92-E96 VanDerWaalsContact O-N 3.11Å
93	P	87.1	Confident	86.8	Confident	77 Å²	77	45.8 Å²	45.8	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-33.2	-178.9	-20.1	33.6	0	0	0	113.9	L91 L95 E96 E97	L91-P93 WeakPolarHBondContact O-CD 3.42Å; P93-L95 VanDerWaalsContact C-N 3.3Å; P93-L95 PolarHBondContact O-N 3.24Å; P93-E96 WeakPolarHBondContact O-CB 3.01Å; P93-E96 PolarHBondContact O-N 3.49Å; P93-E97 WeakPolarHBondContact O-CB 3.42Å; P93-E97 PolarHBondContact O-N 3.14Å
94	E	89.6	Confident	86.7	Confident	120 Å²	120	46.8 Å²	46.8	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-68.2	-32.4	179.4	-60.5	176.5	-170.9	0	0	111.6	T49 N92 Q98	T49-E94 HydrophobicContact CG2-CB 3.71Å; N92-E94 VanDerWaalsContact C-N 3.33Å; N92-E94 PolarHBondContact O-N 3.34Å; N92-E94 PolarHBondContact OD1-N 3.41Å; N92-E94 VanDerWaalsContact OD1-N 3.13Å; E94-Q98 VanDerWaalsContact O-CG 3.32Å; E94-Q98 WeakPolarHBondContact O-CG 3.14Å; E94-Q98 PolarHBondContact O-N 2.93Å
95	L	90.3	Very high	86.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-72.5	-41.3	172.6	-179.9	63	0	0	0	110.8	T49 A52 W81 E88 F89 N92 P93 E97 Q98 I99	T49-L95 HydrophobicContact CG2-CB 4.29Å; A52-L95 HydrophobicContact CB-CD1 3.72Å; W81-L95 HydrophobicContact CH2-CD1 4.03Å; W81-L95 HydrophobicContact CZ2-CD2 4.36Å; E88-L95 HydrophobicContact CB-CD2 4.35Å; F89-L95 HydrophobicContact CD1-CD1 4.44Å; F89-L95 HydrophobicContact CD1-CD2 3.76Å; F89-L95 HydrophobicContact CD1-CG 3.72Å; F89-L95 HydrophobicContact CE1-CD1 4.12Å; F89-L95 HydrophobicContact CE1-CD2 3.85Å; F89-L95 HydrophobicContact CE1-CG 3.86Å; F89-L95 HydrophobicContact CG-CD2 4.28Å; F89-L95 HydrophobicContact CZ-CD2 4.46Å; N92-L95 HydrophobicContact CB-CB 3.95Å; N92-L95 PolarHBondContact O-N 3.17Å; N92-L95 PolarHBondContact OD1-N 2.95Å; P93-L95 VanDerWaalsContact C-N 3.3Å; P93-L95 PolarHBondContact O-N 3.24Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.94Å; L95-Q98 PolarHBondContact O-N 2.69Å; L95-I99 HydrophobicContact CD1-CG1 4.41Å; L95-I99 WeakPolarHBondContact O-CG1 3.24Å; L95-I99 PolarHBondContact O-N 3.28Å
96	E	89	Confident	86.3	Confident	54 Å²	54	44.4 Å²	44.4	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-44.5	175.2	-161	-169.3	139.7	0	0	111.5	N92 P93 K100 L120	N92-E96 PolarHBondContact O-N 3.31Å; N92-E96 VanDerWaalsContact O-N 3.11Å; P93-E96 WeakPolarHBondContact O-CB 3.01Å; P93-E96 PolarHBondContact O-N 3.49Å; E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.46Å; E96-K100 VanDerWaalsContact O-N 3.13Å; E96-K100 WeakPolarHBondContact OE1-CE 3.35Å; E96-K100 IonicContact OE1-NZ 2.77Å; E96-K100 PolarHBondContact OE1-NZ 3.39Å; E96-L120 HydrophobicContact CG-CD1 4.46Å
97	E	89.4	Confident	86.1	Confident	122 Å²	122	46.8 Å²	46.8	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-63.6	-48.8	177.6	-171.7	168.8	-152.5	0	0	111.9	P93 L95 I99 K100 D101	P93-E97 WeakPolarHBondContact O-CB 3.42Å; P93-E97 PolarHBondContact O-N 3.14Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.94Å; E97-I99 VanDerWaalsContact C-N 3.29Å; E97-I99 PolarHBondContact O-N 3.24Å; E97-K100 WeakPolarHBondContact O-CA 3.23Å; E97-K100 WeakPolarHBondContact O-CB 3.02Å; E97-K100 PolarHBondContact O-N 3.41Å; E97-D101 PolarHBondContact O-N 2.98Å
98	Q	89.1	Confident	86.1	Confident	30 Å²	30	52 Å²	52	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-30	179.5	-74.2	178.9	49.2	0	0	114.2	T49 A52 E94 L95 F102	T49-Q98 PolarHBondContact O-OE1 3.45Å; A52-Q98 HydrophobicContact CB-CB 4.44Å; E94-Q98 VanDerWaalsContact O-CG 3.32Å; E94-Q98 WeakPolarHBondContact O-CG 3.14Å; E94-Q98 PolarHBondContact O-N 2.93Å; L95-Q98 PolarHBondContact O-N 2.69Å; Q98-F102 WeakPolarHBondContact O-CB 3.31Å; Q98-F102 PolarHBondContact O-N 3.44Å; Q98-F102 VanDerWaalsContact O-N 3.11Å
99	I	89.3	Confident	86	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-78.7	-27.8	174.5	-60.4	-63.8	0	0	0	111.7	A52 V78 I82 F89 L95 E97 F102 K103 I118 L120	A52-I99 HydrophobicContact CB-CD1 4.13Å; V78-I99 HydrophobicContact CG1-CD1 4.19Å; V78-I99 HydrophobicContact CG1-CG2 4.4Å; I82-I99 HydrophobicContact CD1-CG2 4.14Å; F89-I99 HydrophobicContact CD1-CG1 4.12Å; F89-I99 HydrophobicContact CE1-CD1 4.34Å; F89-I99 HydrophobicContact CE1-CG1 3.81Å; L95-I99 HydrophobicContact CD1-CG1 4.41Å; L95-I99 WeakPolarHBondContact O-CG1 3.24Å; L95-I99 PolarHBondContact O-N 3.28Å; E97-I99 VanDerWaalsContact C-N 3.29Å; E97-I99 PolarHBondContact O-N 3.24Å; I99-F102 PolarHBondContact O-N 3.46Å; I99-K103 PolarHBondContact O-N 3.02Å; I99-I118 HydrophobicContact CG2-CG2 3.61Å; I99-L120 HydrophobicContact CB-CD1 4.07Å; I99-L120 HydrophobicContact CG2-CD1 3.84Å; I99-L120 HydrophobicContact CG2-CD2 4Å; I99-L120 HydrophobicContact CG2-CG 4.05Å
100	K	87.6	Confident	85.5	Confident	86 Å²	86	58.4 Å²	58.4	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-66.6	-48.4	168	-71.4	172.5	-173.4	168.3	0	111	E96 E97 F102 K103 D104 L120	E96-K100 WeakPolarHBondContact O-CG 3.31Å; E96-K100 PolarHBondContact O-N 3.46Å; E96-K100 VanDerWaalsContact O-N 3.13Å; E96-K100 WeakPolarHBondContact OE1-CE 3.35Å; E96-K100 IonicContact OE1-NZ 2.77Å; E96-K100 PolarHBondContact OE1-NZ 3.39Å; E97-K100 WeakPolarHBondContact O-CA 3.23Å; E97-K100 WeakPolarHBondContact O-CB 3.02Å; E97-K100 PolarHBondContact O-N 3.41Å; K100-F102 PolarHBondContact O-N 3.33Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 2.75Å; K100-D104 PolarHBondContact O-N 3.3Å; K100-L120 HydrophobicContact CG-CD1 3.66Å
101	D	86.8	Confident	85.2	Confident	91 Å²	91	58.9 Å²	58.9	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-53.6	-40.6	174	-72.4	-12.8	0	0	0	111.6	E97 L105	E97-D101 PolarHBondContact O-N 2.98Å; D101-L105 VanDerWaalsContact O-CB 3.32Å; D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 PolarHBondContact O-N 2.96Å
102	F	85.8	Confident	85	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.022	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-42.8	175.9	-178.8	-139.8	0	0	0	113	L56 T59 I74 V78 Q98 I99 K100 L105 L106 I118	L56-F102 HydrophobicContact CD1-CB 4.02Å; L56-F102 HydrophobicContact CD1-CD2 3.53Å; L56-F102 HydrophobicContact CD1-CE2 4.41Å; L56-F102 HydrophobicContact CD1-CG 4.13Å; T59-F102 HydrophobicContact CG2-CE2 3.89Å; T59-F102 HydrophobicContact CG2-CZ 4.2Å; T59-F102 VanDerWaalsContact OG1-CE2 3.31Å; T59-F102 WeakPolarHBondContact OG1-CE2 3.01Å; I74-F102 HydrophobicContact CG2-CZ 4.11Å; V78-F102 HydrophobicContact CB-CE1 4.41Å; V78-F102 HydrophobicContact CG1-CE1 4.45Å; V78-F102 HydrophobicContact CG2-CE1 3.97Å; Q98-F102 WeakPolarHBondContact O-CB 3.31Å; Q98-F102 PolarHBondContact O-N 3.44Å; Q98-F102 VanDerWaalsContact O-N 3.11Å; I99-F102 PolarHBondContact O-N 3.46Å; K100-F102 PolarHBondContact O-N 3.33Å; F102-L105 PolarHBondContact O-N 2.94Å; F102-L106 HydrophobicContact CD2-CD1 4.35Å; F102-L106 HydrophobicContact CD2-CG 4.32Å; F102-L106 HydrophobicContact CE1-CD1 4.28Å; F102-L106 HydrophobicContact CE2-CD1 3.94Å; F102-L106 HydrophobicContact CE2-CD2 4.24Å; F102-L106 HydrophobicContact CE2-CG 4Å; F102-L106 HydrophobicContact CZ-CD1 3.9Å; F102-L106 HydrophobicContact CZ-CG 4.44Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.17Å; F102-L106 VanDerWaalsContact O-N 3.09Å; F102-I118 HydrophobicContact CD1-CD1 3.44Å; F102-I118 VanDerWaalsContact CD1-CD1 3.44Å; F102-I118 HydrophobicContact CE1-CD1 3.33Å; F102-I118 HydrophobicContact CG-CD1 4.37Å; F102-I118 HydrophobicContact CZ-CD1 4.21Å
103	K	86.2	Confident	84.7	Confident	48 Å²	48	71.9 Å²	71.9	21%	0.209	37%	0.368	C	S	.	.	H	α-helix	trans	-65	-41.6	175.9	-175	-179.7	-177.1	164.5	0	112.1	I99 K100 L106 T107 S115 I118	I99-K103 PolarHBondContact O-N 3.02Å; K100-K103 WeakPolarHBondContact O-CB 3.36Å; K100-K103 PolarHBondContact O-N 2.75Å; K103-L106 PolarHBondContact O-N 3.16Å; K103-T107 WeakPolarHBondContact O-CB 3.38Å; K103-T107 PolarHBondContact O-N 3.31Å; K103-T107 PolarHBondContact O-OG1 3.41Å; K103-S115 WeakPolarHBondContact CG-OG 3.4Å; K103-I118 HydrophobicContact CB-CG2 4.42Å; K103-I118 WeakPolarHBondContact CD-O 3.47Å; K103-I118 VanDerWaalsContact CE-O 3.25Å; K103-I118 WeakPolarHBondContact CE-O 3.46Å; K103-I118 PolarHBondContact NZ-O 3.33Å
104	D	85.9	Confident	84.3	Confident	97 Å²	97	68.9 Å²	68.9	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-70	-35.6	179.4	-71.6	-10.1	0	0	0	111.4	K100 T107 T108	K100-D104 PolarHBondContact O-N 3.3Å; D104-T107 PolarHBondContact O-N 2.99Å; D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 3.04Å; D104-T108 PolarHBondContact O-OG1 3.43Å
105	L	83.6	Confident	83.8	Confident	51 Å²	51	63.7 Å²	63.7	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-51.6	170.8	-178.4	66.4	0	0	0	111.6	L56 D101 F102 T107 T108 E109	L56-L105 HydrophobicContact CD1-CD2 3.68Å; D101-L105 VanDerWaalsContact O-CB 3.32Å; D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 PolarHBondContact O-N 2.96Å; F102-L105 PolarHBondContact O-N 2.94Å; L105-T107 PolarHBondContact O-N 3.33Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 VanDerWaalsContact O-N 3.1Å; L105-E109 HydrophobicContact CD1-CG 4.38Å; L105-E109 WeakPolarHBondContact O-CG 3.31Å; L105-E109 PolarHBondContact O-N 2.96Å
106	L	82.8	Confident	83.5	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-57.6	-37.9	177.3	-71.3	171	0	0	0	112	R71 F102 K103 G110 N111 Q114 I118	R71-L106 HydrophobicContact CG-CD2 4.29Å; F102-L106 HydrophobicContact CD2-CD1 4.35Å; F102-L106 HydrophobicContact CD2-CG 4.32Å; F102-L106 HydrophobicContact CE1-CD1 4.28Å; F102-L106 HydrophobicContact CE2-CD1 3.94Å; F102-L106 HydrophobicContact CE2-CD2 4.24Å; F102-L106 HydrophobicContact CE2-CG 4Å; F102-L106 HydrophobicContact CZ-CD1 3.9Å; F102-L106 HydrophobicContact CZ-CG 4.44Å; F102-L106 WeakPolarHBondContact O-CG 3.37Å; F102-L106 PolarHBondContact O-N 3.17Å; F102-L106 VanDerWaalsContact O-N 3.09Å; K103-L106 PolarHBondContact O-N 3.16Å; L106-G110 PolarHBondContact O-N 3.39Å; L106-N111 HydrophobicContact CB-CB 4.44Å; L106-N111 HydrophobicContact CD2-CB 4.27Å; L106-N111 WeakPolarHBondContact O-CA 3.47Å; L106-N111 WeakPolarHBondContact O-CB 3.49Å; L106-N111 PolarHBondContact O-N 3.27Å; L106-Q114 HydrophobicContact CD1-CB 4.39Å; L106-Q114 HydrophobicContact CD2-CB 4.44Å; L106-I118 HydrophobicContact CD1-CD1 3.71Å
107	T	84.1	Confident	83.1	Confident	69 Å²	69	69.7 Å²	69.7	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-42.1	177	-51.4	0	0	0	0	111.3	K103 D104 L105 E109 G110 S115	K103-T107 WeakPolarHBondContact O-CB 3.38Å; K103-T107 PolarHBondContact O-N 3.31Å; K103-T107 PolarHBondContact O-OG1 3.41Å; D104-T107 PolarHBondContact O-N 2.99Å; L105-T107 PolarHBondContact O-N 3.33Å; T107-E109 VanDerWaalsContact C-N 3.33Å; T107-E109 PolarHBondContact O-N 3.32Å; T107-G110 PolarHBondContact O-N 2.91Å; T107-G110 VanDerWaalsContact O-N 3.15Å; T107-S115 WeakPolarHBondContact OG1-CB 3.26Å; T107-S115 PolarHBondContact OG1-OG 3.32Å
108	T	83	Confident	82.8	Confident	122 Å²	122	63.9 Å²	63.9	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-66.5	-32.4	177.6	-55.6	0	0	0	0	112.6	D104 L105 G110	D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 3.04Å; D104-T108 PolarHBondContact O-OG1 3.43Å; L105-T108 PolarHBondContact O-N 3.46Å; L105-T108 VanDerWaalsContact O-N 3.1Å; T108-G110 PolarHBondContact O-N 2.85Å
109	E	80.4	Confident	82.4	Confident	92 Å²	92	65.9 Å²	65.9	43%	0.43	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.9	175.2	-68.6	-179.1	169.3	0	0	113.7	L105 T107	L105-E109 HydrophobicContact CD1-CG 4.38Å; L105-E109 WeakPolarHBondContact O-CG 3.31Å; L105-E109 PolarHBondContact O-N 2.96Å; T107-E109 VanDerWaalsContact C-N 3.33Å; T107-E109 PolarHBondContact O-N 3.32Å
110	G	75.4	Confident	81.9	Confident	55 Å²	55	66.6 Å²	66.6	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	9.1	-179.2	0	0	0	0	0	114.8	L106 T107 T108 E112	L106-G110 PolarHBondContact O-N 3.39Å; T107-G110 PolarHBondContact O-N 2.91Å; T107-G110 VanDerWaalsContact O-N 3.15Å; T108-G110 PolarHBondContact O-N 2.85Å; G110-E112 PolarHBondContact O-N 2.69Å
111	N	77.5	Confident	81.3	Confident	33 Å²	33	69.4 Å²	69.4	18%	0.176	36%	0.36	C	S	.	.			trans	-84.8	51.1	-176.9	-69.5	-48.6	0	0	0	112.4	R71 L106 R113 Q114 S115	R71-N111 PolarHBondContact NH1-ND2 2.76Å; L106-N111 HydrophobicContact CB-CB 4.44Å; L106-N111 HydrophobicContact CD2-CB 4.27Å; L106-N111 WeakPolarHBondContact O-CA 3.47Å; L106-N111 WeakPolarHBondContact O-CB 3.49Å; L106-N111 PolarHBondContact O-N 3.27Å; N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 3.36Å; N111-R113 VanDerWaalsContact O-N 3.16Å; N111-Q114 HydrophobicContact CB-CB 4.33Å; N111-Q114 PolarHBondContact O-N 3.13Å; N111-S115 PolarHBondContact O-N 3.38Å
112	E	77.3	Confident	80.8	Confident	134 Å²	134	68.6 Å²	68.6	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-52.8	-41.6	-172	-66.3	-173.5	170	0	0	113.9	G110 Q114 S115 Q116	G110-E112 PolarHBondContact O-N 2.69Å; E112-Q114 VanDerWaalsContact C-N 3.28Å; E112-Q114 PolarHBondContact O-N 3.25Å; E112-S115 PolarHBondContact O-N 3.35Å; E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.25Å; E112-Q116 PolarHBondContact O-N 2.85Å
113	R	78.1	Confident	80.3	Confident	218 Å²	218	69.6 Å²	69.6	82%	0.823	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-32.3	179	-69.8	-175.9	-179.4	173.2	1.4	113.3	N111	N111-R113 VanDerWaalsContact C-N 3.3Å; N111-R113 PolarHBondContact O-N 3.36Å; N111-R113 VanDerWaalsContact O-N 3.16Å
114	Q	78.6	Confident	79.6	Confident	15 Å²	15	70.1 Å²	70.1	7%	0.07	38%	0.376	C	S	.	.	H	α-helix	trans	-82.7	-38.9	178.8	-72	163.3	-4	0	0	110.6	T72 C75 L106 N111 E112 Q116 L117	T72-Q114 PolarHBondContact OG1-NE2 3.2Å; C75-Q114 HydrophobicContact CB-CB 4.49Å; L106-Q114 HydrophobicContact CD1-CB 4.39Å; L106-Q114 HydrophobicContact CD2-CB 4.44Å; N111-Q114 HydrophobicContact CB-CB 4.33Å; N111-Q114 PolarHBondContact O-N 3.13Å; E112-Q114 VanDerWaalsContact C-N 3.28Å; E112-Q114 PolarHBondContact O-N 3.25Å; Q114-Q116 VanDerWaalsContact C-N 3.29Å; Q114-Q116 PolarHBondContact O-N 3.09Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 3.48Å
115	S	80.6	Confident	78.7	Confident	10 Å²	10	67.5 Å²	67.5	7%	0.07	37%	0.366	C	S	.	.	H	α-helix	trans	-56.9	-41	171.4	176.6	0	0	0	0	112.2	K103 T107 N111 E112 L117 I118	K103-S115 WeakPolarHBondContact CG-OG 3.4Å; T107-S115 WeakPolarHBondContact OG1-CB 3.26Å; T107-S115 PolarHBondContact OG1-OG 3.32Å; N111-S115 PolarHBondContact O-N 3.38Å; E112-S115 PolarHBondContact O-N 3.35Å; S115-L117 PolarHBondContact O-N 3.45Å; S115-I118 PolarHBondContact O-N 3.26Å; S115-I118 VanDerWaalsContact O-N 3.08Å
116	Q	83.3	Confident	77.9	Confident	145 Å²	145	67.5 Å²	67.5	68%	0.678	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.3	175.4	-73.5	173	15.5	0	0	114.9	E112 Q114 I118	E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.25Å; E112-Q116 PolarHBondContact O-N 2.85Å; Q114-Q116 VanDerWaalsContact C-N 3.29Å; Q114-Q116 PolarHBondContact O-N 3.09Å; Q116-I118 VanDerWaalsContact C-N 3.29Å
117	L	80.8	Confident	76.7	Confident	35 Å²	35	71.4 Å²	71.4	18%	0.183	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-18	173.5	-64.2	173.3	0	0	0	112.5	C75 K79 Q114 S115	C75-L117 HydrophobicContact CB-CD1 3.92Å; K79-L117 WeakPolarHBondContact CB-O 3.24Å; K79-L117 HydrophobicContact CD-CB 4.19Å; K79-L117 HydrophobicContact CD-CD2 4.05Å; K79-L117 WeakPolarHBondContact CG-O 3.34Å; Q114-L117 WeakPolarHBondContact O-CB 3.44Å; Q114-L117 PolarHBondContact O-N 3.48Å; S115-L117 PolarHBondContact O-N 3.45Å
118	I	83.6	Confident	75.2	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.381	C	S	.	.			trans	-104.6	90.4	-174.2	-53.1	-178.7	0	0	0	108.9	V78 I82 I99 F102 K103 L106 S115 Q116	V78-I118 HydrophobicContact CG1-CD1 4.23Å; V78-I118 HydrophobicContact CG1-CG1 4.35Å; V78-I118 HydrophobicContact CG1-CG2 4.41Å; I82-I118 HydrophobicContact CD1-CG2 3.98Å; I99-I118 HydrophobicContact CG2-CG2 3.61Å; F102-I118 HydrophobicContact CD1-CD1 3.44Å; F102-I118 VanDerWaalsContact CD1-CD1 3.44Å; F102-I118 HydrophobicContact CE1-CD1 3.33Å; F102-I118 HydrophobicContact CG-CD1 4.37Å; F102-I118 HydrophobicContact CZ-CD1 4.21Å; K103-I118 HydrophobicContact CB-CG2 4.42Å; K103-I118 WeakPolarHBondContact CD-O 3.47Å; K103-I118 VanDerWaalsContact CE-O 3.25Å; K103-I118 WeakPolarHBondContact CE-O 3.46Å; K103-I118 PolarHBondContact NZ-O 3.33Å; L106-I118 HydrophobicContact CD1-CD1 3.71Å; S115-I118 PolarHBondContact O-N 3.26Å; S115-I118 VanDerWaalsContact O-N 3.08Å; Q116-I118 VanDerWaalsContact C-N 3.29Å
119	D	79.9	Confident	73.9	Confident	72 Å²	72	72 Å²	72	39%	0.385	36%	0.362	S	S	.	.			trans	-111.6	92.8	-179.3	-173.9	-0.9	0	0	0	111.6	D121 S122	D119-D121 WeakPolarHBondContact OD1-CA 3.35Å; D119-D121 WeakPolarHBondContact OD1-CB 3.28Å; D119-D121 PolarHBondContact OD1-N 3.13Å; D119-S122 PolarHBondContact O-OG 2.94Å; D119-S122 PolarHBondContact OD1-N 3.31Å; D119-S122 WeakPolarHBondContact OD2-CB 3.39Å
120	L	78.8	Confident	73	Confident	20 Å²	20	69.2 Å²	69.2	11%	0.105	35%	0.348	C	S	.	.	S	Bend	trans	-76.8	-20.7	170.7	-68.3	174.2	0	0	0	113.1	I82 F89 E96 I99 K100 S122 V123	I82-L120 HydrophobicContact CD1-CD2 4Å; I82-L120 HydrophobicContact CG1-CD2 4.32Å; F89-L120 HydrophobicContact CB-CD2 4.39Å; F89-L120 HydrophobicContact CD1-CD2 4.35Å; F89-L120 HydrophobicContact CG-CD2 4.48Å; E96-L120 HydrophobicContact CG-CD1 4.46Å; I99-L120 HydrophobicContact CB-CD1 4.07Å; I99-L120 HydrophobicContact CG2-CD1 3.84Å; I99-L120 HydrophobicContact CG2-CD2 4Å; I99-L120 HydrophobicContact CG2-CG 4.05Å; K100-L120 HydrophobicContact CG-CD1 3.66Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 3.22Å; L120-V123 VanDerWaalsContact O-CB 3.28Å; L120-V123 WeakPolarHBondContact O-CB 3.48Å; L120-V123 WeakPolarHBondContact O-CG2 3.39Å; L120-V123 PolarHBondContact O-N 2.78Å; L120-V123 VanDerWaalsContact O-N 3.17Å
121	D	75.5	Confident	71.9	Confident	144 Å²	144	72 Å²	72	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.4	-178.4	-57.9	-56.7	0	0	0	111.1	D119 V123	D119-D121 WeakPolarHBondContact OD1-CA 3.35Å; D119-D121 WeakPolarHBondContact OD1-CB 3.28Å; D119-D121 PolarHBondContact OD1-N 3.13Å; D121-V123 VanDerWaalsContact C-N 3.25Å; D121-V123 PolarHBondContact O-N 3.23Å
122	S	75.4	Confident	70.4	Confident	75 Å²	75	72.5 Å²	72.5	52%	0.524	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.9	170.4	75.6	0	0	0	0	114.8	D119 L120 P124	D119-S122 PolarHBondContact O-OG 2.94Å; D119-S122 PolarHBondContact OD1-N 3.31Å; D119-S122 WeakPolarHBondContact OD2-CB 3.39Å; L120-S122 VanDerWaalsContact C-N 3.26Å; L120-S122 PolarHBondContact O-N 3.22Å; S122-P124 VanDerWaalsContact O-CD 3.24Å; S122-P124 WeakPolarHBondContact O-CD 3.39Å
123	V	75.5	Confident	68.9	Low	25 Å²	25	67.7 Å²	67.7	15%	0.152	33%	0.33	C	S	.	.			trans	-70.1	115.4	-173.3	173.8	0	0	0	0	110.5	I82 P86 N90 L120 D121 S125	I82-V123 HydrophobicContact CG2-CG2 3.65Å; P86-V123 HydrophobicContact CB-CG1 4Å; P86-V123 WeakPolarHBondContact O-CG1 3.43Å; N90-V123 HydrophobicContact CB-CG1 4.13Å; L120-V123 VanDerWaalsContact O-CB 3.28Å; L120-V123 WeakPolarHBondContact O-CB 3.48Å; L120-V123 WeakPolarHBondContact O-CG2 3.39Å; L120-V123 PolarHBondContact O-N 2.78Å; L120-V123 VanDerWaalsContact O-N 3.17Å; D121-V123 VanDerWaalsContact C-N 3.25Å; D121-V123 PolarHBondContact O-N 3.23Å; V123-S125 PolarHBondContact O-N 2.85Å
124	P	71.8	Confident	66.8	Low	59 Å²	59	63.8 Å²	63.8	38%	0.383	32%	0.321	S	S	.	.			trans	-63.4	136.9	175.6	-18.8	31.9	0	0	0	109.9	S122 Y126	S122-P124 VanDerWaalsContact O-CD 3.24Å; S122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-Y126 HydrophobicContact CB-CE2 4.27Å; P124-Y126 WeakPolarHBondContact O-CD2 3.35Å; P124-Y126 WeakPolarHBondContact O-CE2 3.31Å; P124-Y126 PolarHBondContact O-N 2.72Å; P124-Y126 VanDerWaalsContact O-N 3.1Å
125	S	67.3	Low	64.6	Low	42 Å²	42	74 Å²	74	29%	0.294	36%	0.359	S	S	.	.			trans	-64.7	117.5	175.7	169.7	0	0	0	0	111.2	V123 W128	V123-S125 PolarHBondContact O-N 2.85Å; S125-W128 VanDerWaalsContact O-CE2 3.28Å; S125-W128 PolarHBondContact O-NE1 2.99Å
126	Y	67	Low	62.2	Low	52 Å²	52	77.5 Å²	77.5	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-86.9	-21.9	175.8	-78.9	-97	0	0	0	111.8	P86 A87 N90 P124 W128 K129 R130	P86-Y126 HydrophobicContact CB-CE2 3.94Å; P86-Y126 HydrophobicContact CG-CE2 3.82Å; A87-Y126 HydrophobicContact CB-CD1 3.69Å; A87-Y126 HydrophobicContact CB-CD2 3.95Å; A87-Y126 HydrophobicContact CB-CE1 4.08Å; A87-Y126 HydrophobicContact CB-CE2 4.38Å; A87-Y126 HydrophobicContact CB-CG 3.63Å; N90-Y126 PolarHBondContact OD1-N 2.78Å; P124-Y126 HydrophobicContact CB-CE2 4.27Å; P124-Y126 WeakPolarHBondContact O-CD2 3.35Å; P124-Y126 WeakPolarHBondContact O-CE2 3.31Å; P124-Y126 PolarHBondContact O-N 2.72Å; P124-Y126 VanDerWaalsContact O-N 3.1Å; Y126-W128 VanDerWaalsContact C-N 3.28Å; Y126-W128 PolarHBondContact O-N 3.4Å; Y126-K129 HydrophobicContact CD1-CD 4.01Å; Y126-K129 HydrophobicContact CE1-CD 4.07Å; Y126-K129 PolarHBondContact O-N 3.17Å; Y126-K129 VanDerWaalsContact O-N 3.07Å; Y126-R130 PolarHBondContact O-N 3.01Å
127	K	57.3	Low	59.6	Low	82 Å²	82	75.9 Å²	75.9	36%	0.357	38%	0.382	S	S	.	.	H	α-helix	trans	-51.4	-44.6	170.7	-77.2	168.6	171.3	145.8	0	111.5	N90 L91 Q131	N90-K127 WeakPolarHBondContact O-CE 3.49Å; N90-K127 PolarHBondContact O-NZ 3.28Å; N90-K127 PolarHBondContact OD1-N 3.27Å; L91-K127 HydrophobicContact CD2-CG 3.94Å; K127-Q131 VanDerWaalsContact O-CB 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.35Å; K127-Q131 WeakPolarHBondContact O-CG 3.36Å; K127-Q131 PolarHBondContact O-N 3.42Å
128	W	52.6	Low	57.2	Low	122 Å²	122	78.8 Å²	78.8	46%	0.462	41%	0.405	S	S	.	.	H	α-helix	trans	-75.1	-29.3	176.3	69.6	-106.6	0	0	0	114.4	S125 Y126	S125-W128 VanDerWaalsContact O-CE2 3.28Å; S125-W128 PolarHBondContact O-NE1 2.99Å; Y126-W128 VanDerWaalsContact C-N 3.28Å; Y126-W128 PolarHBondContact O-N 3.4Å
129	K	56.2	Low	54.7	Low	81 Å²	81	85.2 Å²	85.2	35%	0.352	44%	0.444	S	S	.	.	H	α-helix	trans	-68.8	-37.9	176.2	-70.7	-179.1	-179.5	175.7	0	112.2	Y126	Y126-K129 HydrophobicContact CD1-CD 4.01Å; Y126-K129 HydrophobicContact CE1-CD 4.07Å; Y126-K129 PolarHBondContact O-N 3.17Å; Y126-K129 VanDerWaalsContact O-N 3.07Å
130	R	60.6	Low	52.5	Low	35 Å²	35	86.1 Å²	86.1	13%	0.132	46%	0.456	C	S	.	.	H	α-helix	trans	-83.3	-24.4	177.2	-61.3	-179	86.8	-153.3	-1.6	112.7	L91 Y126 K171 D176	L91-R130 VanDerWaalsContact CD1-NH1 3.31Å; Y126-R130 PolarHBondContact O-N 3.01Å; R130-K171 PolarHBondContact NE-O 3.21Å; R130-K171 VanDerWaalsContact NE-O 3.16Å; R130-D176 IonicContact CZ-OD1 3.74Å; R130-D176 IonicContact CZ-OD2 3.68Å; R130-D176 IonicContact NH2-OD1 2.57Å; R130-D176 PolarHBondContact NH2-OD1 3.01Å; R130-D176 IonicContact NH2-OD2 2.79Å; R130-D176 PolarHBondContact NH2-OD2 3.39Å
131	Q	51.9	Low	50.3	Low	114 Å²	114	95.1 Å²	95.1	53%	0.533	49%	0.494	S	S	.	.	S	Bend	trans	-56.7	157.7	173.1	-92	171.5	11.7	0	0	113.7	K127 T133	K127-Q131 VanDerWaalsContact O-CB 3.31Å; K127-Q131 WeakPolarHBondContact O-CB 3.35Å; K127-Q131 WeakPolarHBondContact O-CG 3.36Å; K127-Q131 PolarHBondContact O-N 3.42Å; Q131-T133 PolarHBondContact O-N 2.99Å
132	V	46.6	Very low	48.3	Very low	43 Å²	43	96.4 Å²	96.4	26%	0.261	49%	0.493	S	S	.	.	S	Bend	trans	-87.6	110.6	-168.1	-159	0	0	0	0	111.6	R194 I422 K425	V132-R194 VanDerWaalsContact CG1-NH1 3.31Å; V132-I422 HydrophobicContact CB-CD1 3.53Å; V132-I422 HydrophobicContact CB-CG1 4.01Å; V132-I422 HydrophobicContact CG1-CD1 3.68Å; V132-I422 HydrophobicContact CG1-CG1 4.01Å; V132-I422 HydrophobicContact CG1-CG2 3.73Å; V132-I422 HydrophobicContact CG2-CD1 3.52Å; V132-K425 PolarHBondContact O-NZ 3.03Å
133	T	46.4	Very low	46.1	Very low	32 Å²	32	103.5 Å²	103.5	20%	0.196	51%	0.509	C	S	.	.			trans	53.6	102	-177.1	62.4	0	0	0	0	116.9	Q131 K425 H426	Q131-T133 PolarHBondContact O-N 2.99Å; T133-K425 PolarHBondContact O-NZ 3.31Å; T133-K425 PolarHBondContact OG1-NZ 3.38Å; T133-K425 VanDerWaalsContact OG1-NZ 3.12Å; T133-H426 WeakPolarHBondContact CG2-NE2 3.45Å
134	Q	33	Very low	44	Very low	136 Å²	136	112.6 Å²	112.6	64%	0.636	55%	0.546	S	S	*	.			trans	-112.5	162.2	145.6	-76.3	-151.9	5.1	0	0	112.7
135	R	33.1	Very low	42.1	Very low	230 Å²	230	113.1 Å²	113.1	87%	0.868	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-69.5	143.8	-164.5	-61.9	163.4	173.5	144.3	-4.9	111
136	V	30.1	Very low	40.5	Very low	83 Å²	83	113.6 Å²	113.6	50%	0.503	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-92.9	128	156.3	-177	0	0	0	0	106.7	S138	V136-S138 PolarHBondContact O-N 3.26Å
137	P	28.5	Very low	39.5	Very low	111 Å²	111	111.6 Å²	111.6	72%	0.721	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-62.6	128.5	172.2	-20.9	33.2	0	0	0	110.6	V139	P137-V139 PolarHBondContact O-N 3Å
138	S	29.8	Very low	39.2	Very low	96 Å²	96	109.3 Å²	109.3	67%	0.671	53%	0.532	S	S	*	.			trans	-71.6	94.1	179.2	160.5	0	0	0	0	111.1	V136	V136-S138 PolarHBondContact O-N 3.26Å
139	V	32.4	Very low	39.5	Very low	135 Å²	135	104.2 Å²	104.2	82%	0.818	51%	0.513	S	S	*	.			trans	-133.6	77.6	169.4	-167.9	0	0	0	0	111	P137	P137-V139 PolarHBondContact O-N 3Å
140	S	32.8	Very low	39.6	Very low	91 Å²	91	104.1 Å²	104.1	64%	0.636	52%	0.516	S	S	*	.	S	Bend	trans	-150.4	150.1	160.5	60.6	0	0	0	0	110.7	K142	S140-K142 PolarHBondContact O-N 3.48Å
141	K	31.8	Very low	39.6	Very low	209 Å²	209	108.8 Å²	108.8	91%	0.909	54%	0.539	S	S	*	.			trans	-76.7	114	-176.8	-72.4	176.8	178.6	173.9	0	109.4	R143	K141-R143 PolarHBondContact O-N 3.34Å
142	K	33.3	Very low	40.5	Very low	172 Å²	172	103.9 Å²	103.9	75%	0.748	52%	0.516	S	S	*	.			trans	-60.5	115	-174.8	-59	176.9	-178.1	177.4	0	112.2	S140	S140-K142 PolarHBondContact O-N 3.48Å
143	R	29.9	Very low	42.3	Very low	224 Å²	224	105.7 Å²	105.7	85%	0.845	53%	0.525	S	S	*	.			trans	-76.8	140.8	149.3	-76.7	-176.3	177	171.2	1.8	108.2	K141 M145	K141-R143 PolarHBondContact O-N 3.34Å; R143-M145 PolarHBondContact O-N 3.05Å
144	K	30.9	Very low	44.4	Very low	215 Å²	215	104.5 Å²	104.5	94%	0.935	52%	0.518	S	S	*	.			trans	-70.9	115.3	170	-68	-174.8	175.7	-171.1	0	107.6
145	M	32.3	Very low	47.1	Very low	71 Å²	71	99.4 Å²	99.4	35%	0.35	50%	0.497	S	S	.	.			trans	-111.6	140.2	-179.5	-158.3	69.4	107.6	0	0	110	R143 L147 E156	R143-M145 PolarHBondContact O-N 3.05Å; M145-L147 PolarHBondContact O-N 3.13Å; M145-E156 HydrophobicContact CE-CG 4.22Å; M145-E156 WeakPolarHBondContact CE-OE1 3.32Å; M145-E156 WeakPolarHBondContact CE-OE2 3.22Å
146	S	34.1	Very low	49.7	Very low	51 Å²	51	91 Å²	91	36%	0.357	47%	0.468	S	S	.	.			trans	-72.8	121.3	169.1	-175.9	0	0	0	0	109.2	L148	S146-L148 PolarHBondContact O-N 3.03Å; S146-L148 WeakPolarHBondContact OG-CB 3.44Å; S146-L148 PolarHBondContact OG-N 3.18Å
147	L	45.3	Very low	52.5	Low	11 Å²	11	87 Å²	87	6%	0.058	44%	0.444	C	S	.	.			trans	-80.3	4.5	171.4	-71.1	-175.8	0	0	0	112.6	M145 L359 L362 N437 F438 N457	M145-L147 PolarHBondContact O-N 3.13Å; L147-L359 HydrophobicContact CD2-CB 4.18Å; L147-L359 HydrophobicContact CD2-CD1 4.1Å; L147-L362 HydrophobicContact CB-CD1 4.1Å; L147-L362 HydrophobicContact CD1-CD1 4.25Å; L147-L362 HydrophobicContact CD2-CD1 4.27Å; L147-L362 HydrophobicContact CG-CD1 4.45Å; L147-N437 HydrophobicContact CD1-CB 3.34Å; L147-N437 HydrophobicContact CG-CB 4.26Å; L147-F438 HydrophobicContact CB-CE1 4.42Å; L147-F438 HydrophobicContact CB-CE2 3.67Å; L147-F438 HydrophobicContact CB-CZ 3.44Å; L147-F438 VanDerWaalsContact CB-CZ 3.44Å; L147-F438 HydrophobicContact CD1-CD2 4.16Å; L147-F438 HydrophobicContact CD1-CE2 3.55Å; L147-F438 HydrophobicContact CD1-CZ 4.21Å; L147-F438 HydrophobicContact CG-CE2 4.27Å; L147-F438 HydrophobicContact CG-CZ 4.46Å; L147-N457 PolarHBondContact O-ND2 3.25Å; L147-N457 PolarHBondContact O-OD1 3.47Å
148	L	51.6	Low	55.5	Low	33 Å²	33	81.8 Å²	81.8	17%	0.173	41%	0.409	C	S	.	.			trans	-79.8	119.1	178.7	-71.5	164.8	0	0	0	111	S146 D150 H151 L152 A453 N456 N457	S146-L148 PolarHBondContact O-N 3.03Å; S146-L148 WeakPolarHBondContact OG-CB 3.44Å; S146-L148 PolarHBondContact OG-N 3.18Å; L148-D150 VanDerWaalsContact C-N 3.26Å; L148-D150 PolarHBondContact O-N 3.17Å; L148-H151 HydrophobicContact CB-CB 4.13Å; L148-H151 CarbonylContact O-C 3.47Å; L148-H151 VanDerWaalsContact O-C 3.3Å; L148-H151 WeakPolarHBondContact O-CA 3.25Å; L148-H151 PolarHBondContact O-N 3.49Å; L148-L152 PolarHBondContact O-N 2.9Å; L148-A453 HydrophobicContact CD2-CB 4Å; L148-A453 WeakPolarHBondContact CD2-O 3.28Å; L148-N456 HydrophobicContact CD2-CB 4.34Å; L148-N457 VanDerWaalsContact CA-OD1 3.24Å; L148-N457 WeakPolarHBondContact CA-OD1 3.31Å
149	F	59.1	Low	58.4	Low	15 Å²	15	80 Å²	80	7%	0.066	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-54.9	-40.5	176.9	174.7	-90.9	0	0	0	112.2	H151 L152 L157 W205 M209 V222 F226 N457	F149-H151 PolarHBondContact O-N 3.19Å; F149-L152 PolarHBondContact O-N 3.17Å; F149-L157 HydrophobicContact CD2-CD2 4.42Å; F149-L157 HydrophobicContact CE2-CD2 3.79Å; F149-W205 AromaticContact CD2-CH2 3.95Å; F149-W205 HydrophobicContact CD2-CH2 3.95Å; F149-W205 AromaticContact CD2-CZ2 3.85Å; F149-W205 HydrophobicContact CD2-CZ2 3.85Å; F149-W205 AromaticContact CE2-CH2 3.61Å; F149-W205 HydrophobicContact CE2-CH2 3.61Å; F149-W205 AromaticContact CE2-CZ2 3.85Å; F149-W205 HydrophobicContact CE2-CZ2 3.85Å; F149-M209 HydrophobicContact CZ-CG 4.39Å; F149-V222 HydrophobicContact CE1-CG1 4.26Å; F149-F226 HydrophobicContact CE1-CZ 4.47Å; F149-F226 AromaticContact CE2-CE1 3.95Å; F149-F226 HydrophobicContact CE2-CE1 3.95Å; F149-F226 HydrophobicContact CE2-CE2 4.44Å; F149-F226 AromaticContact CE2-CZ 3.62Å; F149-F226 HydrophobicContact CE2-CZ 3.62Å; F149-F226 AromaticContact CZ-CE1 3.92Å; F149-F226 HydrophobicContact CZ-CE1 3.92Å; F149-F226 AromaticContact CZ-CE2 3.7Å; F149-F226 HydrophobicContact CZ-CE2 3.7Å; F149-F226 AromaticContact CZ-CZ 3.32Å; F149-F226 HydrophobicContact CZ-CZ 3.32Å; F149-N457 PolarHBondContact N-OD1 3.32Å
150	D	57.6	Low	61.1	Low	80 Å²	80	73.9 Å²	73.9	43%	0.428	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-67	-5	175.9	-68.3	-20.1	0	0	0	113.3	L148 K213	L148-D150 VanDerWaalsContact C-N 3.26Å; L148-D150 PolarHBondContact O-N 3.17Å; D150-K213 WeakPolarHBondContact OD1-CE 3.45Å; D150-K213 IonicContact OD1-NZ 2.94Å; D150-K213 PolarHBondContact OD1-NZ 3.15Å; D150-K213 IonicContact OD2-NZ 3.58Å; D150-K213 PolarHBondContact OD2-NZ 2.93Å
151	H	60.7	Low	63.8	Low	132 Å²	132	69.6 Å²	69.6	61%	0.611	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-129.9	2.4	177.8	-58.2	-22.2	0	0	0	113.7	L148 F149	L148-H151 HydrophobicContact CB-CB 4.13Å; L148-H151 CarbonylContact O-C 3.47Å; L148-H151 VanDerWaalsContact O-C 3.3Å; L148-H151 WeakPolarHBondContact O-CA 3.25Å; L148-H151 PolarHBondContact O-N 3.49Å; F149-H151 PolarHBondContact O-N 3.19Å
152	L	72.1	Confident	66.7	Low	11 Å²	11	59.7 Å²	59.7	6%	0.058	28%	0.28	C	S	.	.	S	Bend	trans	-78.8	135	178	-173.5	65.3	0	0	0	108.4	L148 F149 E156 L157 H225 L359	L148-L152 PolarHBondContact O-N 2.9Å; F149-L152 PolarHBondContact O-N 3.17Å; L152-E156 HydrophobicContact CD1-CB 4.24Å; L152-L157 HydrophobicContact CD2-CB 3.9Å; L152-L157 HydrophobicContact CD2-CD1 4.03Å; L152-L157 HydrophobicContact CD2-CG 4.37Å; L152-L157 HydrophobicContact CG-CB 4.34Å; L152-H225 PolarHBondContact O-CE1 3.19Å; L152-H225 VanDerWaalsContact O-CE1 3.25Å; L152-L359 HydrophobicContact CD1-CD2 3.77Å; L152-L359 HydrophobicContact CD2-CD1 4.21Å; L152-L359 HydrophobicContact CD2-CD2 4.19Å
153	D	84.3	Confident	69.4	Low	81 Å²	81	53.4 Å²	53.4	43%	0.433	25%	0.253	S	S	.	.			trans	-73.5	147.7	-178.4	-176.6	63	0	0	0	112.1	S155 E156 L157	D153-S155 VanDerWaalsContact C-N 3.28Å; D153-S155 PolarHBondContact O-N 3.32Å; D153-S155 VanDerWaalsContact OD2-CB 3.26Å; D153-S155 WeakPolarHBondContact OD2-CB 3.32Å; D153-S155 PolarHBondContact OD2-N 3.34Å; D153-E156 HydrophobicContact CB-CB 4.33Å; D153-E156 HydrophobicContact CB-CG 4.01Å; D153-E156 PolarHBondContact O-N 2.84Å; D153-L157 PolarHBondContact O-N 3.27Å
154	S	89.9	Confident	72.1	Confident	8 Å²	8	44 Å²	44	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-27.2	-179.4	-60.7	0	0	0	0	113.5	A158 H225	S154-A158 WeakPolarHBondContact O-CB 3.08Å; S154-A158 PolarHBondContact O-N 2.89Å; S154-H225 PolarHBondContact OG-CE1 2.88Å; S154-H225 PolarHBondContact OG-ND1 2.72Å; S154-H225 PolarHBondContact OG-NE2 3.33Å
155	S	89.8	Confident	74.9	Confident	28 Å²	28	33.7 Å²	33.7	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-48.1	169.7	-84.5	0	0	0	0	110.8	D153 L157 A158 E159 K232	D153-S155 VanDerWaalsContact C-N 3.28Å; D153-S155 PolarHBondContact O-N 3.32Å; D153-S155 VanDerWaalsContact OD2-CB 3.26Å; D153-S155 WeakPolarHBondContact OD2-CB 3.32Å; D153-S155 PolarHBondContact OD2-N 3.34Å; S155-L157 VanDerWaalsContact C-N 3.33Å; S155-L157 PolarHBondContact O-N 3.49Å; S155-A158 WeakPolarHBondContact O-CB 3.46Å; S155-A158 PolarHBondContact O-N 3.13Å; S155-A158 VanDerWaalsContact O-N 3.11Å; S155-E159 WeakPolarHBondContact O-CG 3.29Å; S155-E159 PolarHBondContact O-N 3.3Å; S155-K232 WeakPolarHBondContact OG-CD 3.42Å; S155-K232 WeakPolarHBondContact OG-CE 3.4Å; S155-K232 PolarHBondContact OG-NZ 2.95Å
156	E	86.9	Confident	77.7	Confident	54 Å²	54	31.4 Å²	31.4	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-60.2	-42.9	-176.5	-66.3	174.5	171.3	0	0	111.5	M145 L152 D153 E159 H160	M145-E156 HydrophobicContact CE-CG 4.22Å; M145-E156 WeakPolarHBondContact CE-OE1 3.32Å; M145-E156 WeakPolarHBondContact CE-OE2 3.22Å; L152-E156 HydrophobicContact CD1-CB 4.24Å; D153-E156 HydrophobicContact CB-CB 4.33Å; D153-E156 HydrophobicContact CB-CG 4.01Å; D153-E156 PolarHBondContact O-N 2.84Å; E156-E159 PolarHBondContact O-N 3.16Å; E156-H160 PolarHBondContact O-N 3.48Å; E156-H160 PolarHBondContact O-ND1 3.15Å
157	L	88.5	Confident	80.2	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-42.4	175.2	-179.3	55	0	0	0	112.1	F149 L152 D153 S155 E159 H160 L161 W205 F226 V229 L363	F149-L157 HydrophobicContact CD2-CD2 4.42Å; F149-L157 HydrophobicContact CE2-CD2 3.79Å; L152-L157 HydrophobicContact CD2-CB 3.9Å; L152-L157 HydrophobicContact CD2-CD1 4.03Å; L152-L157 HydrophobicContact CD2-CG 4.37Å; L152-L157 HydrophobicContact CG-CB 4.34Å; D153-L157 PolarHBondContact O-N 3.27Å; S155-L157 VanDerWaalsContact C-N 3.33Å; S155-L157 PolarHBondContact O-N 3.49Å; L157-E159 VanDerWaalsContact C-N 3.34Å; L157-E159 PolarHBondContact O-N 3.19Å; L157-H160 PolarHBondContact O-N 2.79Å; L157-L161 HydrophobicContact CD1-CD1 3.99Å; L157-L161 HydrophobicContact CD1-CG 4.02Å; L157-L161 HydrophobicContact CG-CD1 4.05Å; L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.94Å; L157-W205 HydrophobicContact CD1-CH2 3.91Å; L157-W205 HydrophobicContact CD1-CZ3 4.32Å; L157-W205 HydrophobicContact CD2-CH2 3.98Å; L157-W205 HydrophobicContact CD2-CZ3 4.38Å; L157-F226 HydrophobicContact CD2-CE1 4.12Å; L157-V229 HydrophobicContact CB-CG2 4.43Å; L157-V229 HydrophobicContact CD2-CG2 3.97Å; L157-V229 HydrophobicContact CG-CG1 4.35Å; L157-V229 HydrophobicContact CG-CG2 4.41Å; L157-L363 HydrophobicContact CD1-CD1 4.25Å; L157-L363 HydrophobicContact CD1-CD2 3.94Å
158	A	92.7	Very high	82.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.1	0	0	0	0	0	112	S154 S155 T162 V229 K232 L233 L236	S154-A158 WeakPolarHBondContact O-CB 3.08Å; S154-A158 PolarHBondContact O-N 2.89Å; S155-A158 WeakPolarHBondContact O-CB 3.46Å; S155-A158 PolarHBondContact O-N 3.13Å; S155-A158 VanDerWaalsContact O-N 3.11Å; A158-T162 VanDerWaalsContact O-CB 3.3Å; A158-T162 WeakPolarHBondContact O-CB 3.21Å; A158-T162 PolarHBondContact O-N 3.2Å; A158-T162 PolarHBondContact O-OG1 3.49Å; A158-V229 HydrophobicContact CB-CG1 4.14Å; A158-K232 HydrophobicContact CB-CB 3.6Å; A158-L233 HydrophobicContact CB-CD2 3.79Å; A158-L233 HydrophobicContact CB-CG 3.81Å; A158-L233 WeakPolarHBondContact O-CD2 3.39Å; A158-L236 HydrophobicContact CB-CD1 4.02Å
159	E	91.1	Very high	83.9	Confident	60 Å²	60	32.3 Å²	32.3	28%	0.28	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-46.3	176.7	-75.8	173	-162.1	0	0	112	S155 E156 L157 T162 F163 L236 I353	S155-E159 WeakPolarHBondContact O-CG 3.29Å; S155-E159 PolarHBondContact O-N 3.3Å; E156-E159 PolarHBondContact O-N 3.16Å; L157-E159 VanDerWaalsContact C-N 3.34Å; L157-E159 PolarHBondContact O-N 3.19Å; E159-T162 WeakPolarHBondContact O-CB 3.28Å; E159-T162 PolarHBondContact O-N 3.11Å; E159-F163 PolarHBondContact O-N 2.77Å; E159-L236 HydrophobicContact CG-CD1 3.89Å; E159-L236 HydrophobicContact CG-CD2 4.38Å; E159-I353 HydrophobicContact CB-CD1 4.21Å; E159-I353 HydrophobicContact CB-CG1 4.41Å; E159-I353 HydrophobicContact CB-CG2 3.84Å; E159-I353 HydrophobicContact CG-CD1 4.36Å; E159-I353 HydrophobicContact CG-CG1 4.31Å; E159-I353 HydrophobicContact CG-CG2 4.44Å
160	H	87.9	Confident	85.3	Confident	6 Å²	6	34 Å²	34	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-38.4	-179.1	-74.6	74.6	0	0	0	112.7	E156 L157 L164 N356 L359 L360 L363	E156-H160 PolarHBondContact O-N 3.48Å; E156-H160 PolarHBondContact O-ND1 3.15Å; L157-H160 PolarHBondContact O-N 2.79Å; H160-L164 VanDerWaalsContact O-CB 3.28Å; H160-L164 WeakPolarHBondContact O-CB 3.48Å; H160-L164 PolarHBondContact O-N 2.9Å; H160-N356 WeakPolarHBondContact NE2-CB 3.42Å; H160-N356 PolarHBondContact NE2-N 2.93Å; H160-L359 HydrophobicContact CB-CD2 4.48Å; H160-L360 HydrophobicContact CB-CD2 4.26Å; H160-L363 HydrophobicContact CB-CD1 3.76Å
161	L	90.6	Very high	86.6	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-44	171.6	-68.7	170.9	0	0	0	111.4	L157 F163 L164 E165 V202 T241 L367	L157-L161 HydrophobicContact CD1-CD1 3.99Å; L157-L161 HydrophobicContact CD1-CG 4.02Å; L157-L161 HydrophobicContact CG-CD1 4.05Å; L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.94Å; L161-F163 PolarHBondContact O-N 3.39Å; L161-L164 PolarHBondContact O-N 3.13Å; L161-E165 PolarHBondContact O-N 2.96Å; L161-V202 HydrophobicContact CD2-CG2 4.18Å; L161-T241 HydrophobicContact CB-CG2 3.86Å; L161-T241 HydrophobicContact CD1-CG2 4.1Å; L161-L367 HydrophobicContact CD2-CD1 4.42Å
162	T	92.7	Very high	88	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-46.9	176.2	-59	0	0	0	0	111.6	A158 E159 L164 Y166 L233 N238 F298 P351 I353	A158-T162 VanDerWaalsContact O-CB 3.3Å; A158-T162 WeakPolarHBondContact O-CB 3.21Å; A158-T162 PolarHBondContact O-N 3.2Å; A158-T162 PolarHBondContact O-OG1 3.49Å; E159-T162 WeakPolarHBondContact O-CB 3.28Å; E159-T162 PolarHBondContact O-N 3.11Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.93Å; T162-Y166 WeakPolarHBondContact O-CB 3.4Å; T162-Y166 PolarHBondContact O-N 3.36Å; T162-L233 WeakPolarHBondContact OG1-CD2 3.36Å; T162-N238 WeakPolarHBondContact CA-ND2 3.34Å; T162-N238 WeakPolarHBondContact CB-ND2 3.28Å; T162-N238 HydrophobicContact CG2-CB 4.21Å; T162-N238 PolarHBondContact OG1-ND2 2.81Å; T162-F298 HydrophobicContact CG2-CE1 3.79Å; T162-F298 HydrophobicContact CG2-CZ 3.72Å; T162-P351 HydrophobicContact CG2-CB 4.48Å; T162-I353 HydrophobicContact CG2-CD1 3.83Å
163	F	89.7	Confident	88.8	Confident	41 Å²	41	27.7 Å²	27.7	18%	0.18	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-41.6	177.1	-179.6	-89	0	0	0	112.3	E159 L161 K167 I353 L360	E159-F163 PolarHBondContact O-N 2.77Å; L161-F163 PolarHBondContact O-N 3.39Å; F163-K167 HydrophobicContact CE1-CD 3.99Å; F163-K167 HydrophobicContact CZ-CD 4.4Å; F163-K167 WeakPolarHBondContact O-CB 3.48Å; F163-K167 PolarHBondContact O-N 2.96Å; F163-I353 HydrophobicContact CB-CG2 4.44Å; F163-L360 HydrophobicContact CD1-CD1 3.55Å; F163-L360 HydrophobicContact CD1-CD2 3.97Å; F163-L360 HydrophobicContact CD1-CG 4.42Å; F163-L360 HydrophobicContact CE1-CD1 3.47Å; F163-L360 VanDerWaalsContact CE1-CD1 3.47Å
164	L	86	Confident	89	Confident	25 Å²	25	24.7 Å²	24.7	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-69	-44.3	-177	-173.5	128.1	0	0	0	111.9	H160 L161 T162 S168 L198 L360 T364 L367	H160-L164 VanDerWaalsContact O-CB 3.28Å; H160-L164 WeakPolarHBondContact O-CB 3.48Å; H160-L164 PolarHBondContact O-N 2.9Å; L161-L164 PolarHBondContact O-N 3.13Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.93Å; L164-S168 PolarHBondContact O-N 2.85Å; L164-L198 HydrophobicContact CD2-CD1 3.35Å; L164-L198 HydrophobicContact CD2-CD2 3.79Å; L164-L198 HydrophobicContact CD2-CG 4.16Å; L164-L360 HydrophobicContact CB-CD2 4.19Å; L164-L360 HydrophobicContact CD1-CD2 4.15Å; L164-T364 WeakPolarHBondContact CD1-OG1 3.2Å; L164-L367 HydrophobicContact CD2-CD1 3.82Å
165	E	90	Very high	88.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-44.8	172.7	-69.7	-153.8	130.9	0	0	112.4	L161 K167 S168 F169 L198 N240 T241 F300	L161-E165 PolarHBondContact O-N 2.96Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.07Å; E165-S168 CarbonylContact O-C 3.53Å; E165-S168 WeakPolarHBondContact O-CA 3.32Å; E165-S168 VanDerWaalsContact O-CB 3.29Å; E165-S168 WeakPolarHBondContact O-CB 3.36Å; E165-S168 PolarHBondContact O-N 3Å; E165-F169 PolarHBondContact O-N 3.4Å; E165-L198 HydrophobicContact CG-CD2 4.04Å; E165-L198 HydrophobicContact CG-CG 4.29Å; E165-N240 PolarHBondContact OE1-ND2 3.48Å; E165-N240 PolarHBondContact OE2-ND2 2.53Å; E165-T241 WeakPolarHBondContact OE2-CA 3.4Å; E165-T241 WeakPolarHBondContact OE2-CB 3.4Å; E165-T241 PolarHBondContact OE2-N 3.17Å; E165-T241 VanDerWaalsContact OE2-N 3.14Å; E165-T241 PolarHBondContact OE2-OG1 3.47Å; E165-F300 HydrophobicContact CB-CE1 3.64Å; E165-F300 HydrophobicContact CB-CZ 4.13Å
166	Y	90.9	Very high	89	Confident	23 Å²	23	27 Å²	27	9%	0.09	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-41.5	177.8	177.1	-98.2	0	0	0	112.1	T162 S168 F169 C170 F298 Q347 P350 P351	T162-Y166 WeakPolarHBondContact O-CB 3.4Å; T162-Y166 PolarHBondContact O-N 3.36Å; Y166-S168 VanDerWaalsContact C-N 3.26Å; Y166-S168 PolarHBondContact O-N 3.04Å; Y166-F169 PolarHBondContact O-N 3.42Å; Y166-C170 WeakPolarHBondContact CE1-SG 3.4Å; Y166-C170 PolarHBondContact O-N 3.36Å; Y166-C170 PolarHBondContact O-SG 2.87Å; Y166-F298 AromaticContact CD2-CE2 3.81Å; Y166-F298 HydrophobicContact CD2-CE2 3.81Å; Y166-F298 HydrophobicContact CE2-CE2 4.11Å; Y166-F298 HydrophobicContact CG-CE2 4.49Å; Y166-Q347 PolarHBondContact OH-O 3.01Å; Y166-P350 HydrophobicContact CE1-CB 4.14Å; Y166-P350 VanDerWaalsContact OH-CA 3.31Å; Y166-P350 WeakPolarHBondContact OH-CA 3.34Å; Y166-P351 VanDerWaalsContact CD1-CD 3.46Å; Y166-P351 HydrophobicContact CD1-CG 3.94Å; Y166-P351 VanDerWaalsContact CE1-CD 3.47Å; Y166-P351 HydrophobicContact CE1-CG 4.42Å; Y166-P351 HydrophobicContact CG-CG 4.01Å
167	K	86.2	Confident	89.2	Confident	95 Å²	95	24.7 Å²	24.7	41%	0.413	12%	0.12	S	C	.	.	H	α-helix	trans	-66.9	-25.3	175.1	-175.4	174.7	-178	176.8	0	113.2	F163 E165	F163-K167 HydrophobicContact CE1-CD 3.99Å; F163-K167 HydrophobicContact CZ-CD 4.4Å; F163-K167 WeakPolarHBondContact O-CB 3.48Å; F163-K167 PolarHBondContact O-N 2.96Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.07Å
168	S	85.2	Confident	89.2	Confident	19 Å²	19	26.6 Å²	26.6	13%	0.133	13%	0.129	C	C	.	.	H	α-helix	trans	-75.5	-48.2	170.9	-160	0	0	0	0	110.3	L164 E165 Y166 C170 K171	L164-S168 PolarHBondContact O-N 2.85Å; E165-S168 CarbonylContact O-C 3.53Å; E165-S168 WeakPolarHBondContact O-CA 3.32Å; E165-S168 VanDerWaalsContact O-CB 3.29Å; E165-S168 WeakPolarHBondContact O-CB 3.36Å; E165-S168 PolarHBondContact O-N 3Å; Y166-S168 VanDerWaalsContact C-N 3.26Å; Y166-S168 PolarHBondContact O-N 3.04Å; S168-C170 PolarHBondContact O-N 2.89Å; S168-K171 WeakPolarHBondContact O-CB 3.49Å; S168-K171 PolarHBondContact O-N 3.24Å; S168-K171 VanDerWaalsContact O-N 3.1Å
169	F	90.7	Very high	89	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-40.9	178.5	-178	-110.7	0	0	0	113.8	E165 Y166 K171 I172 Y177 F195 F300 L303 L343 I346 Q347	E165-F169 PolarHBondContact O-N 3.4Å; Y166-F169 PolarHBondContact O-N 3.42Å; F169-K171 PolarHBondContact O-N 2.81Å; F169-I172 HydrophobicContact CD2-CD1 3.9Å; F169-I172 WeakPolarHBondContact O-CB 3.35Å; F169-I172 WeakPolarHBondContact O-CG1 3.19Å; F169-I172 PolarHBondContact O-N 3.43Å; F169-Y177 VanDerWaalsContact CE2-OH 3.27Å; F169-Y177 WeakPolarHBondContact CE2-OH 3.49Å; F169-F195 HydrophobicContact CB-CD2 4.28Å; F169-F195 HydrophobicContact CB-CE2 3.8Å; F169-F195 HydrophobicContact CD2-CE2 4.31Å; F169-F195 HydrophobicContact CD2-CZ 4.42Å; F169-F300 HydrophobicContact CB-CE2 3.7Å; F169-F300 HydrophobicContact CB-CZ 3.81Å; F169-F300 HydrophobicContact CD1-CD2 4.35Å; F169-F300 AromaticContact CD1-CE2 3.66Å; F169-F300 HydrophobicContact CD1-CE2 3.66Å; F169-F300 AromaticContact CD2-CE2 3.95Å; F169-F300 HydrophobicContact CD2-CE2 3.95Å; F169-F300 HydrophobicContact CE1-CE2 4.22Å; F169-F300 AromaticContact CG-CE2 3.51Å; F169-F300 HydrophobicContact CG-CE2 3.51Å; F169-F300 HydrophobicContact CG-CZ 4.11Å; F169-L303 HydrophobicContact CD2-CD2 4.29Å; F169-L303 HydrophobicContact CE2-CD1 3.99Å; F169-L303 HydrophobicContact CE2-CD2 4.26Å; F169-L343 HydrophobicContact CZ-CB 4.38Å; F169-L343 HydrophobicContact CZ-CD2 4.25Å; F169-I346 HydrophobicContact CE1-CB 4.3Å; F169-I346 HydrophobicContact CE1-CG2 3.86Å; F169-Q347 HydrophobicContact CD1-CG 3.7Å; F169-Q347 HydrophobicContact CE1-CG 3.35Å; F169-Q347 HydrophobicContact CZ-CG 4.14Å; F169-Q347 PolarHBondContact O-NE2 3.22Å
170	C	87.7	Confident	88.6	Confident	51 Å²	51	26.1 Å²	26.1	35%	0.345	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.7	178.2	-67.2	0	0	0	0	114.9	Y166 S168	Y166-C170 WeakPolarHBondContact CE1-SG 3.4Å; Y166-C170 PolarHBondContact O-N 3.36Å; Y166-C170 PolarHBondContact O-SG 2.87Å; S168-C170 PolarHBondContact O-N 2.89Å
171	K	85.3	Confident	88.5	Confident	56 Å²	56	26 Å²	26	24%	0.243	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.2	173.8	-60.4	176	-176.1	176.5	0	113	R130 S168 F169 L173 I191	R130-K171 PolarHBondContact NE-O 3.21Å; R130-K171 VanDerWaalsContact NE-O 3.16Å; S168-K171 WeakPolarHBondContact O-CB 3.49Å; S168-K171 PolarHBondContact O-N 3.24Å; S168-K171 VanDerWaalsContact O-N 3.1Å; F169-K171 PolarHBondContact O-N 2.81Å; K171-L173 PolarHBondContact O-N 2.68Å; K171-I191 HydrophobicContact CB-CG2 3.84Å
172	I	89.3	Confident	88	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.			trans	-71.8	124	-179.5	-50.8	173.3	0	0	0	107.5	F169 D176 Y177 I191 L192 F195 L303 Q347	F169-I172 HydrophobicContact CD2-CD1 3.9Å; F169-I172 WeakPolarHBondContact O-CB 3.35Å; F169-I172 WeakPolarHBondContact O-CG1 3.19Å; F169-I172 PolarHBondContact O-N 3.43Å; I172-D176 VanDerWaalsContact CA-OD2 3.29Å; I172-D176 WeakPolarHBondContact CA-OD2 2.98Å; I172-D176 HydrophobicContact CG2-CB 3.81Å; I172-Y177 HydrophobicContact CG2-CD1 4.21Å; I172-Y177 HydrophobicContact CG2-CD2 4.35Å; I172-Y177 HydrophobicContact CG2-CE1 3.66Å; I172-Y177 HydrophobicContact CG2-CE2 3.83Å; I172-Y177 VanDerWaalsContact CG2-CZ 3.44Å; I172-I191 HydrophobicContact CG1-CG2 4.15Å; I172-L192 HydrophobicContact CD1-CD1 3.96Å; I172-L192 HydrophobicContact CG2-CD1 4.46Å; I172-F195 HydrophobicContact CD1-CB 3.96Å; I172-F195 HydrophobicContact CD1-CD1 4.29Å; I172-F195 HydrophobicContact CD1-CD2 4.03Å; I172-F195 HydrophobicContact CD1-CG 3.81Å; I172-L303 HydrophobicContact CD1-CD2 3.85Å; I172-Q347 PolarHBondContact O-NE2 2.84Å
173	L	88.9	Confident	87.2	Confident	33 Å²	33	35.3 Å²	35.3	17%	0.173	17%	0.174	C	C	.	.			trans	-111.8	169.2	178.4	-62.7	-173.7	0	0	0	111.2	A87 L91 K171 Q175 D176 Y177	A87-L173 HydrophobicContact CB-CD1 3.67Å; A87-L173 HydrophobicContact CB-CD2 4.47Å; L91-L173 HydrophobicContact CD1-CD1 3.47Å; L91-L173 VanDerWaalsContact CD1-CD1 3.47Å; K171-L173 PolarHBondContact O-N 2.68Å; L173-Q175 PolarHBondContact O-N 3.2Å; L173-Q175 VanDerWaalsContact O-N 3.16Å; L173-D176 PolarHBondContact N-OD2 3.03Å; L173-D176 WeakPolarHBondContact O-CB 3.39Å; L173-D176 PolarHBondContact O-N 2.85Å; L173-Y177 PolarHBondContact O-N 3.44Å
174	F	89.7	Confident	86.1	Confident	19 Å²	19	35.3 Å²	35.3	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-47.7	-43.5	175.3	174	-91.7	0	0	0	113.1	M40 M41 P43 W44 D176 Y177 H178 L340	M40-F174 HydrophobicContact CG-CD2 3.49Å; M40-F174 VanDerWaalsContact CG-CD2 3.49Å; M40-F174 HydrophobicContact CG-CE2 3.9Å; M40-F174 HydrophobicContact CG-CG 4.09Å; M40-F174 WeakPolarHBondContact O-CE1 3.4Å; M40-F174 VanDerWaalsContact O-CE2 3.24Å; M40-F174 WeakPolarHBondContact O-CE2 3.12Å; M40-F174 WeakPolarHBondContact O-CZ 3.31Å; M40-F174 HydrophobicContact SD-CD2 4.12Å; M41-F174 HydrophobicContact CE-CE2 4.46Å; M41-F174 HydrophobicContact SD-CE2 3.82Å; M41-F174 HydrophobicContact SD-CZ 4.42Å; P43-F174 HydrophobicContact CB-CE1 3.98Å; P43-F174 HydrophobicContact CG-CD1 4.31Å; P43-F174 HydrophobicContact CG-CE1 3.73Å; W44-F174 HydrophobicContact CE3-CE2 4.38Å; W44-F174 AromaticContact CE3-CZ 3.92Å; W44-F174 HydrophobicContact CE3-CZ 3.92Å; W44-F174 HydrophobicContact CZ3-CE2 4.42Å; W44-F174 HydrophobicContact CZ3-CZ 4.28Å; F174-D176 PolarHBondContact O-N 2.92Å; F174-Y177 PolarHBondContact O-N 3.01Å; F174-Y177 VanDerWaalsContact O-N 3.13Å; F174-H178 HydrophobicContact CD1-CB 4.5Å; F174-H178 HydrophobicContact CE1-CB 4.02Å; F174-H178 HydrophobicContact CZ-CB 4.3Å; F174-H178 WeakPolarHBondContact O-CB 3.42Å; F174-H178 PolarHBondContact O-N 2.99Å; F174-L340 HydrophobicContact CD2-CD1 3.95Å; F174-L340 HydrophobicContact CE2-CD1 3.67Å
175	Q	88.1	Confident	85.4	Confident	71 Å²	71	37.1 Å²	37.1	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-56.6	-34.6	177.6	-65.8	173.6	-5.7	0	0	113.1	L173 S179	L173-Q175 PolarHBondContact O-N 3.2Å; L173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-S179 WeakPolarHBondContact O-CB 3.33Å; Q175-S179 PolarHBondContact O-N 3.2Å
176	D	89.9	Confident	84.4	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-73.8	-39.9	179.9	-52.8	-28.5	0	0	0	110.5	R130 I172 L173 F174 F180 N189	R130-D176 IonicContact CZ-OD1 3.74Å; R130-D176 IonicContact CZ-OD2 3.68Å; R130-D176 IonicContact NH2-OD1 2.57Å; R130-D176 PolarHBondContact NH2-OD1 3.01Å; R130-D176 IonicContact NH2-OD2 2.79Å; R130-D176 PolarHBondContact NH2-OD2 3.39Å; I172-D176 VanDerWaalsContact CA-OD2 3.29Å; I172-D176 WeakPolarHBondContact CA-OD2 2.98Å; I172-D176 HydrophobicContact CG2-CB 3.81Å; L173-D176 PolarHBondContact N-OD2 3.03Å; L173-D176 WeakPolarHBondContact O-CB 3.39Å; L173-D176 PolarHBondContact O-N 2.85Å; F174-D176 PolarHBondContact O-N 2.92Å; D176-F180 WeakPolarHBondContact O-CB 3.4Å; D176-F180 PolarHBondContact O-N 3.49Å; D176-F180 VanDerWaalsContact O-N 3.08Å; D176-N189 WeakPolarHBondContact CA-ND2 3.26Å; D176-N189 PolarHBondContact O-ND2 3.21Å
177	Y	91.4	Very high	83.3	Confident	6 Å²	6	40.3 Å²	40.3	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-45.5	173.4	-63.2	-55.2	0	0	0	111.7	F169 I172 L173 F174 F180 V181 L303 L307 L340 L343	F169-Y177 VanDerWaalsContact CE2-OH 3.27Å; F169-Y177 WeakPolarHBondContact CE2-OH 3.49Å; I172-Y177 HydrophobicContact CG2-CD1 4.21Å; I172-Y177 HydrophobicContact CG2-CD2 4.35Å; I172-Y177 HydrophobicContact CG2-CE1 3.66Å; I172-Y177 HydrophobicContact CG2-CE2 3.83Å; I172-Y177 VanDerWaalsContact CG2-CZ 3.44Å; L173-Y177 PolarHBondContact O-N 3.44Å; F174-Y177 PolarHBondContact O-N 3.01Å; F174-Y177 VanDerWaalsContact O-N 3.13Å; Y177-F180 PolarHBondContact O-N 2.9Å; Y177-V181 VanDerWaalsContact O-CG2 3.24Å; Y177-V181 WeakPolarHBondContact O-CG2 3.39Å; Y177-V181 PolarHBondContact O-N 3.26Å; Y177-L303 HydrophobicContact CE1-CD1 4.06Å; Y177-L303 HydrophobicContact CE1-CD2 4.43Å; Y177-L307 HydrophobicContact CD1-CD2 3.83Å; Y177-L307 HydrophobicContact CE1-CD2 4.17Å; Y177-L340 HydrophobicContact CD2-CD2 3.68Å; Y177-L340 HydrophobicContact CE2-CD2 4.48Å; Y177-L340 HydrophobicContact CG-CD2 3.81Å; Y177-L343 HydrophobicContact CE1-CD1 4.04Å; Y177-L343 HydrophobicContact CE2-CD1 4.3Å
178	H	89.8	Confident	82.6	Confident	39 Å²	39	43.6 Å²	43.6	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-50.4	176.6	178.6	-126.5	0	0	0	111.2	P43 W44 F174 F180 V181 M182	P43-H178 PolarHBondContact O-CE1 3.1Å; W44-H178 AromaticContact CD2-CD2 3.58Å; W44-H178 AromaticContact CD2-NE2 3.98Å; W44-H178 AromaticContact CE2-CD2 3.89Å; W44-H178 AromaticContact CE3-CD2 3.48Å; W44-H178 VanDerWaalsContact CE3-CD2 3.48Å; W44-H178 AromaticContact CH2-CD2 3.98Å; W44-H178 HydrophobicContact CZ3-CB 4.31Å; W44-H178 AromaticContact CZ3-CD2 3.7Å; F174-H178 HydrophobicContact CD1-CB 4.5Å; F174-H178 HydrophobicContact CE1-CB 4.02Å; F174-H178 HydrophobicContact CZ-CB 4.3Å; F174-H178 WeakPolarHBondContact O-CB 3.42Å; F174-H178 PolarHBondContact O-N 2.99Å; H178-F180 PolarHBondContact O-N 2.66Å; H178-V181 PolarHBondContact O-N 3.18Å; H178-M182 WeakPolarHBondContact O-CB 3.39Å; H178-M182 WeakPolarHBondContact O-CG 3.44Å; H178-M182 PolarHBondContact O-N 3.33Å
179	S	87.2	Confident	82.1	Confident	29 Å²	29	43 Å²	43	20%	0.203	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-46.2	176.4	180	0	0	0	0	112.1	Q175 V181 M182 H183 V187	Q175-S179 WeakPolarHBondContact O-CB 3.33Å; Q175-S179 PolarHBondContact O-N 3.2Å; S179-V181 PolarHBondContact O-N 2.95Å; S179-M182 PolarHBondContact O-N 2.79Å; S179-H183 PolarHBondContact O-N 3Å; S179-H183 VanDerWaalsContact O-N 3.16Å; S179-H183 PolarHBondContact O-ND1 2.64Å; S179-H183 PolarHBondContact OG-ND1 3.22Å; S179-V187 PolarHBondContact OG-O 3.4Å
180	F	83.9	Confident	81.4	Confident	21 Å²	21	46 Å²	46	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-43.4	179.7	-178.8	-91.3	0	0	0	112.9	D176 Y177 H178 G184 C185 T186 L192 L307 I311	D176-F180 WeakPolarHBondContact O-CB 3.4Å; D176-F180 PolarHBondContact O-N 3.49Å; D176-F180 VanDerWaalsContact O-N 3.08Å; Y177-F180 PolarHBondContact O-N 2.9Å; H178-F180 PolarHBondContact O-N 2.66Å; F180-G184 CarbonylContact O-C 3.48Å; F180-G184 WeakPolarHBondContact O-CA 3.37Å; F180-G184 PolarHBondContact O-N 2.85Å; F180-C185 PolarHBondContact O-N 3.37Å; F180-T186 HydrophobicContact CD2-CG2 3.86Å; F180-T186 HydrophobicContact CE2-CG2 4.16Å; F180-L192 HydrophobicContact CB-CD2 3.56Å; F180-L192 HydrophobicContact CD2-CD2 3.47Å; F180-L192 VanDerWaalsContact CD2-CD2 3.47Å; F180-L192 HydrophobicContact CE2-CD2 4.31Å; F180-L192 HydrophobicContact CG-CD2 3.61Å; F180-L307 HydrophobicContact CD1-CB 4.39Å; F180-L307 HydrophobicContact CD1-CD1 4.43Å; F180-L307 HydrophobicContact CD1-CD2 3.83Å; F180-L307 HydrophobicContact CD1-CG 4.44Å; F180-L307 HydrophobicContact CE1-CB 3.78Å; F180-L307 HydrophobicContact CE1-CD1 4.03Å; F180-L307 HydrophobicContact CE1-CD2 4.05Å; F180-L307 HydrophobicContact CE1-CG 4.16Å; F180-L307 HydrophobicContact CG-CD2 4.48Å; F180-L307 HydrophobicContact CZ-CB 4.42Å; F180-L307 HydrophobicContact CZ-CD1 4.12Å; F180-I311 HydrophobicContact CD1-CD1 4.26Å; F180-I311 HydrophobicContact CE1-CD1 3.53Å; F180-I311 HydrophobicContact CE1-CG1 4.28Å; F180-I311 HydrophobicContact CZ-CD1 4.21Å
181	V	85.1	Confident	81.1	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-39	-178.1	175.3	0	0	0	0	111.5	W44 Y177 H178 S179 H183 L310 H314	W44-V181 HydrophobicContact CH2-CB 3.87Å; W44-V181 HydrophobicContact CH2-CG1 3.72Å; W44-V181 HydrophobicContact CH2-CG2 4.34Å; W44-V181 HydrophobicContact CZ2-CB 4.19Å; W44-V181 HydrophobicContact CZ2-CG1 3.67Å; Y177-V181 VanDerWaalsContact O-CG2 3.24Å; Y177-V181 WeakPolarHBondContact O-CG2 3.39Å; Y177-V181 PolarHBondContact O-N 3.26Å; H178-V181 PolarHBondContact O-N 3.18Å; S179-V181 PolarHBondContact O-N 2.95Å; V181-H183 VanDerWaalsContact C-N 3.34Å; V181-H183 PolarHBondContact O-N 3.34Å; V181-L310 HydrophobicContact CG2-CB 3.6Å; V181-L310 HydrophobicContact CG2-CD1 4.23Å; V181-L310 HydrophobicContact CG2-CG 4.47Å; V181-H314 HydrophobicContact CG1-CB 3.34Å
182	M	81.1	Confident	80.8	Confident	88 Å²	88	42.1 Å²	42.1	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-69.4	-28.4	179	-67.3	-66.2	-74.9	0	0	113.3	W44 H178 S179 H314	W44-M182 HydrophobicContact CZ2-SD 4.32Å; H178-M182 WeakPolarHBondContact O-CB 3.39Å; H178-M182 WeakPolarHBondContact O-CG 3.44Å; H178-M182 PolarHBondContact O-N 3.33Å; S179-M182 PolarHBondContact O-N 2.79Å; M182-H314 PolarHBondContact SD-CE1 3.43Å
183	H	75.1	Confident	80.2	Confident	109 Å²	109	44.3 Å²	44.3	51%	0.505	25%	0.247	S	C	.	.	H	α-helix	trans	-99.5	-14	177.7	-61.8	98.5	0	0	0	113.9	S179 V181 C185 V187	S179-H183 PolarHBondContact O-N 3Å; S179-H183 VanDerWaalsContact O-N 3.16Å; S179-H183 PolarHBondContact O-ND1 2.64Å; S179-H183 PolarHBondContact OG-ND1 3.22Å; V181-H183 VanDerWaalsContact C-N 3.34Å; V181-H183 PolarHBondContact O-N 3.34Å; H183-C185 PolarHBondContact O-N 3.06Å; H183-V187 HydrophobicContact CB-CB 4.31Å; H183-V187 HydrophobicContact CB-CG2 3.8Å
184	G	66.6	Low	79.7	Confident	41 Å²	41	47.6 Å²	47.6	42%	0.423	26%	0.257	S	S	.	.	S	Bend	trans	71.2	-1.5	-171.3	0	0	0	0	0	114.8	F180	F180-G184 CarbonylContact O-C 3.48Å; F180-G184 WeakPolarHBondContact O-CA 3.37Å; F180-G184 PolarHBondContact O-N 2.85Å
185	C	70.4	Confident	79.4	Confident	62 Å²	62	46.7 Å²	46.7	42%	0.419	25%	0.253	S	S	.	.	S	Bend	trans	-156.8	176.5	-179.7	67.9	0	0	0	0	111.1	F180 H183 V187	F180-C185 PolarHBondContact O-N 3.37Å; H183-C185 PolarHBondContact O-N 3.06Å; C185-V187 PolarHBondContact O-N 2.76Å
186	T	70.1	Confident	79.1	Confident	36 Å²	36	43.8 Å²	43.8	22%	0.221	24%	0.24	C	C	.	.			trans	-77.1	99.6	175.4	49	0	0	0	0	111.5	F180 L192 I196	F180-T186 HydrophobicContact CD2-CG2 3.86Å; F180-T186 HydrophobicContact CE2-CG2 4.16Å; T186-L192 HydrophobicContact CG2-CB 4.32Å; T186-L192 HydrophobicContact CG2-CD2 4.12Å; T186-L192 HydrophobicContact CG2-CG 4.09Å; T186-I196 HydrophobicContact CG2-CD1 3.82Å
187	V	67.8	Low	78.6	Confident	54 Å²	54	44.7 Å²	44.7	33%	0.327	25%	0.246	S	C	.	.	S	Bend	trans	-111.2	127.2	168.6	-174.8	0	0	0	0	108.7	S179 H183 C185 N189	S179-V187 PolarHBondContact OG-O 3.4Å; H183-V187 HydrophobicContact CB-CB 4.31Å; H183-V187 HydrophobicContact CB-CG2 3.8Å; C185-V187 PolarHBondContact O-N 2.76Å; V187-N189 PolarHBondContact O-N 3.47Å
188	D	70.5	Confident	78.1	Confident	164 Å²	164	45.5 Å²	45.5	88%	0.877	25%	0.25	S	S	*	.	S	Bend	trans	45.9	30.8	-178.9	-64.2	-38.6	0	0	0	115.3	P190	D188-P190 VanDerWaalsContact C-CD 3.46Å; D188-P190 WeakPolarHBondContact O-CD 3.4Å
189	N	75.6	Confident	77.9	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.032	24%	0.244	C	C	.	.			trans	-118.2	73.5	-174.9	-174	-11.9	0	0	0	111.2	D176 V187 I191 L192 E193	D176-N189 WeakPolarHBondContact CA-ND2 3.26Å; D176-N189 PolarHBondContact O-ND2 3.21Å; V187-N189 PolarHBondContact O-N 3.47Å; N189-I191 PolarHBondContact O-N 2.98Å; N189-I191 VanDerWaalsContact O-N 3.14Å; N189-L192 WeakPolarHBondContact ND2-CB 3.15Å; N189-L192 PolarHBondContact O-N 3.27Å; N189-L192 WeakPolarHBondContact OD1-CB 3.33Å; N189-L192 PolarHBondContact OD1-N 3.11Å; N189-L192 VanDerWaalsContact OD1-N 3.11Å; N189-E193 VanDerWaalsContact O-CB 3.26Å; N189-E193 WeakPolarHBondContact O-CB 3.42Å; N189-E193 PolarHBondContact O-N 3.38Å
190	P	76.2	Confident	77.7	Confident	64 Å²	64	44.3 Å²	44.3	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-69.2	-13.2	-173.1	29.2	-37.4	0	0	0	113.4	D188 R194	D188-P190 VanDerWaalsContact C-CD 3.46Å; D188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-R194 WeakPolarHBondContact O-CB 3.17Å; P190-R194 WeakPolarHBondContact O-CD 3.29Å; P190-R194 WeakPolarHBondContact O-CG 3.3Å; P190-R194 PolarHBondContact O-N 2.89Å; P190-R194 PolarHBondContact O-NE 2.91Å
191	I	81.5	Confident	77.6	Confident	25 Å²	25	44.1 Å²	44.1	13%	0.128	24%	0.243	C	C	.	.	H	α-helix	trans	-82.1	-49.4	178.7	-59.8	-58.7	0	0	0	110.4	K171 I172 N189 R194 F195	K171-I191 HydrophobicContact CB-CG2 3.84Å; I172-I191 HydrophobicContact CG1-CG2 4.15Å; N189-I191 PolarHBondContact O-N 2.98Å; N189-I191 VanDerWaalsContact O-N 3.14Å; I191-R194 PolarHBondContact O-N 3.25Å; I191-F195 PolarHBondContact O-N 3.24Å
192	L	78.8	Confident	77.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-38.7	176.1	-174.2	61.6	0	0	0	111.5	I172 F180 T186 N189 R194 F195 I196 L303 L307	I172-L192 HydrophobicContact CD1-CD1 3.96Å; I172-L192 HydrophobicContact CG2-CD1 4.46Å; F180-L192 HydrophobicContact CB-CD2 3.56Å; F180-L192 HydrophobicContact CD2-CD2 3.47Å; F180-L192 VanDerWaalsContact CD2-CD2 3.47Å; F180-L192 HydrophobicContact CE2-CD2 4.31Å; F180-L192 HydrophobicContact CG-CD2 3.61Å; T186-L192 HydrophobicContact CG2-CB 4.32Å; T186-L192 HydrophobicContact CG2-CD2 4.12Å; T186-L192 HydrophobicContact CG2-CG 4.09Å; N189-L192 WeakPolarHBondContact ND2-CB 3.15Å; N189-L192 PolarHBondContact O-N 3.27Å; N189-L192 WeakPolarHBondContact OD1-CB 3.33Å; N189-L192 PolarHBondContact OD1-N 3.11Å; N189-L192 VanDerWaalsContact OD1-N 3.11Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.13Å; L192-F195 WeakPolarHBondContact O-CB 3.43Å; L192-F195 PolarHBondContact O-N 3.13Å; L192-F195 VanDerWaalsContact O-N 3.09Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.49Å; L192-L303 HydrophobicContact CD1-CD2 3.99Å; L192-L307 HydrophobicContact CD1-CD1 4.48Å
193	E	76.3	Confident	78.2	Confident	47 Å²	47	40.4 Å²	40.4	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-52.4	-50.2	173.2	-175.7	-172.7	-179.6	0	0	110.7	N189 F195 I196 T197 V414	N189-E193 VanDerWaalsContact O-CB 3.26Å; N189-E193 WeakPolarHBondContact O-CB 3.42Å; N189-E193 PolarHBondContact O-N 3.38Å; E193-F195 VanDerWaalsContact C-N 3.31Å; E193-F195 PolarHBondContact O-N 3.03Å; E193-I196 CarbonylContact O-C 3.22Å; E193-I196 PolarHBondContact O-N 3Å; E193-I196 VanDerWaalsContact O-N 3.11Å; E193-T197 PolarHBondContact O-N 3.35Å; E193-T197 PolarHBondContact O-OG1 3.38Å; E193-V414 HydrophobicContact CG-CG1 4.14Å; E193-V414 WeakPolarHBondContact OE1-CG1 3.11Å
194	R	78.7	Confident	78.6	Confident	101 Å²	101	36.1 Å²	36.1	38%	0.381	21%	0.206	S	C	.	.	H	α-helix	trans	-65.3	-29.7	178.6	-72.7	169.1	-171.6	-139.6	1.1	114.2	V132 P190 I191 L192 L198	V132-R194 VanDerWaalsContact CG1-NH1 3.31Å; P190-R194 WeakPolarHBondContact O-CB 3.17Å; P190-R194 WeakPolarHBondContact O-CD 3.29Å; P190-R194 WeakPolarHBondContact O-CG 3.3Å; P190-R194 PolarHBondContact O-N 2.89Å; P190-R194 PolarHBondContact O-NE 2.91Å; I191-R194 PolarHBondContact O-N 3.25Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.13Å; R194-L198 VanDerWaalsContact O-CB 3.28Å; R194-L198 WeakPolarHBondContact O-CB 3.42Å; R194-L198 PolarHBondContact O-N 3.46Å
195	F	83.9	Confident	79.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.9	-43.3	172.6	-177.5	-91.4	0	0	0	110.8	F169 I172 I191 L192 E193 L198 F199 F300 L303	F169-F195 HydrophobicContact CB-CD2 4.28Å; F169-F195 HydrophobicContact CB-CE2 3.8Å; F169-F195 HydrophobicContact CD2-CE2 4.31Å; F169-F195 HydrophobicContact CD2-CZ 4.42Å; I172-F195 HydrophobicContact CD1-CB 3.96Å; I172-F195 HydrophobicContact CD1-CD1 4.29Å; I172-F195 HydrophobicContact CD1-CD2 4.03Å; I172-F195 HydrophobicContact CD1-CG 3.81Å; I191-F195 PolarHBondContact O-N 3.24Å; L192-F195 WeakPolarHBondContact O-CB 3.43Å; L192-F195 PolarHBondContact O-N 3.13Å; L192-F195 VanDerWaalsContact O-N 3.09Å; E193-F195 VanDerWaalsContact C-N 3.31Å; E193-F195 PolarHBondContact O-N 3.03Å; F195-L198 PolarHBondContact O-N 3.43Å; F195-F199 PolarHBondContact O-N 2.98Å; F195-F199 VanDerWaalsContact O-N 3.08Å; F195-F300 HydrophobicContact CE2-CZ 4.07Å; F195-F300 HydrophobicContact CZ-CZ 4.09Å; F195-L303 HydrophobicContact CD1-CD2 3.64Å; F195-L303 HydrophobicContact CE1-CB 3.82Å; F195-L303 HydrophobicContact CE1-CD2 3.5Å; F195-L303 HydrophobicContact CE1-CG 4.3Å; F195-L303 HydrophobicContact CG-CD2 4.47Å; F195-L303 HydrophobicContact CZ-CB 4.43Å; F195-L303 HydrophobicContact CZ-CD2 4.24Å
196	I	80.3	Confident	80.5	Confident	11 Å²	11	31.7 Å²	31.7	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-44.1	176	-64.4	167.6	0	0	0	111	T186 L192 E193 L198 F199 N200 W410 A411	T186-I196 HydrophobicContact CG2-CD1 3.82Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 PolarHBondContact O-N 3.49Å; E193-I196 CarbonylContact O-C 3.22Å; E193-I196 PolarHBondContact O-N 3Å; E193-I196 VanDerWaalsContact O-N 3.11Å; I196-L198 VanDerWaalsContact C-N 3.27Å; I196-L198 PolarHBondContact O-N 3.06Å; I196-F199 PolarHBondContact O-N 3.2Å; I196-N200 PolarHBondContact O-N 2.83Å; I196-W410 HydrophobicContact CD1-CZ3 4.46Å; I196-W410 HydrophobicContact CG1-CH2 4.31Å; I196-W410 HydrophobicContact CG1-CZ3 4.12Å; I196-A411 HydrophobicContact CG2-CB 3.59Å
197	T	79.3	Confident	81.3	Confident	32 Å²	32	30.4 Å²	30.4	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-55.5	-45.1	173.3	-51	0	0	0	0	110.5	E193 N200 S201 P416	E193-T197 PolarHBondContact O-N 3.35Å; E193-T197 PolarHBondContact O-OG1 3.38Å; T197-N200 PolarHBondContact O-N 2.84Å; T197-S201 VanDerWaalsContact O-CB 3.26Å; T197-S201 WeakPolarHBondContact O-CB 3.21Å; T197-S201 PolarHBondContact O-N 3.05Å; T197-S201 PolarHBondContact O-OG 3.35Å; T197-S201 VanDerWaalsContact O-OG 3.08Å; T197-P416 HydrophobicContact CG2-CB 4.11Å
198	L	81.8	Confident	82	Confident	23 Å²	23	28 Å²	28	12%	0.12	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-45.7	178.5	171.9	58.2	0	0	0	112.6	L164 E165 R194 F195 I196 N200 S201 V202 L367	L164-L198 HydrophobicContact CD2-CD1 3.35Å; L164-L198 HydrophobicContact CD2-CD2 3.79Å; L164-L198 HydrophobicContact CD2-CG 4.16Å; E165-L198 HydrophobicContact CG-CD2 4.04Å; E165-L198 HydrophobicContact CG-CG 4.29Å; R194-L198 VanDerWaalsContact O-CB 3.28Å; R194-L198 WeakPolarHBondContact O-CB 3.42Å; R194-L198 PolarHBondContact O-N 3.46Å; F195-L198 PolarHBondContact O-N 3.43Å; I196-L198 VanDerWaalsContact C-N 3.27Å; I196-L198 PolarHBondContact O-N 3.06Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 2.97Å; L198-S201 WeakPolarHBondContact O-CB 3.47Å; L198-S201 PolarHBondContact O-N 2.91Å; L198-V202 HydrophobicContact CD1-CG2 4.35Å; L198-V202 WeakPolarHBondContact O-CG2 3.38Å; L198-V202 PolarHBondContact O-N 3.34Å; L198-L367 HydrophobicContact CD1-CD1 3.93Å
199	F	85.5	Confident	82.6	Confident	13 Å²	13	20.4 Å²	20.4	6%	0.057	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-45	175.8	171.1	-90.5	0	0	0	111.7	F195 I196 V202 S203 N240 M243 A244 W410	F195-F199 PolarHBondContact O-N 2.98Å; F195-F199 VanDerWaalsContact O-N 3.08Å; I196-F199 PolarHBondContact O-N 3.2Å; F199-V202 PolarHBondContact O-N 2.9Å; F199-S203 PolarHBondContact O-N 3.38Å; F199-S203 PolarHBondContact O-OG 3.01Å; F199-S203 VanDerWaalsContact O-OG 3.06Å; F199-N240 WeakPolarHBondContact CE2-O 3.29Å; F199-M243 HydrophobicContact CE2-CB 4.15Å; F199-M243 HydrophobicContact CE2-CG 4.16Å; F199-M243 HydrophobicContact CZ-CB 4.44Å; F199-M243 HydrophobicContact CZ-CG 3.97Å; F199-A244 HydrophobicContact CD2-CB 3.78Å; F199-A244 HydrophobicContact CE2-CB 3.69Å; F199-A244 HydrophobicContact CG-CB 4.45Å; F199-A244 HydrophobicContact CZ-CB 4.29Å; F199-W410 AromaticContact CD1-CZ2 3.82Å; F199-W410 HydrophobicContact CD1-CZ2 3.82Å; F199-W410 HydrophobicContact CD2-CZ2 4.28Å; F199-W410 AromaticContact CE1-CE2 3.96Å; F199-W410 AromaticContact CE1-CZ2 3.77Å; F199-W410 HydrophobicContact CE1-CZ2 3.77Å; F199-W410 AromaticContact CE1-NE1 3.77Å; F199-W410 HydrophobicContact CE2-CZ2 4.21Å; F199-W410 HydrophobicContact CG-CZ2 4.1Å; F199-W410 AromaticContact CZ-CZ2 3.98Å; F199-W410 HydrophobicContact CZ-CZ2 3.98Å; F199-W410 AromaticContact CZ-NE1 3.72Å
200	N	83.3	Confident	83.2	Confident	29 Å²	29	20.1 Å²	20.1	16%	0.155	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-40	175.8	-73.1	-6.6	0	0	0	111.9	I196 T197 L198 V202 S203 Q204	I196-N200 PolarHBondContact O-N 2.83Å; T197-N200 PolarHBondContact O-N 2.84Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 2.97Å; N200-V202 PolarHBondContact O-N 3.04Å; N200-S203 WeakPolarHBondContact O-CB 3.27Å; N200-S203 PolarHBondContact O-N 3.35Å; N200-S203 VanDerWaalsContact O-N 3.16Å; N200-Q204 PolarHBondContact O-N 3.22Å
201	S	82.2	Confident	83.5	Confident	17 Å²	17	17 Å²	17	12%	0.119	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-40.8	175.9	-79.7	0	0	0	0	112.8	T197 L198 S203 Q204 W205 L367	T197-S201 VanDerWaalsContact O-CB 3.26Å; T197-S201 WeakPolarHBondContact O-CB 3.21Å; T197-S201 PolarHBondContact O-N 3.05Å; T197-S201 PolarHBondContact O-OG 3.35Å; T197-S201 VanDerWaalsContact O-OG 3.08Å; L198-S201 WeakPolarHBondContact O-CB 3.47Å; L198-S201 PolarHBondContact O-N 2.91Å; S201-S203 VanDerWaalsContact C-N 3.32Å; S201-S203 PolarHBondContact O-N 2.91Å; S201-Q204 PolarHBondContact O-N 2.84Å; S201-W205 WeakPolarHBondContact O-CB 3.35Å; S201-W205 PolarHBondContact O-N 3.48Å; S201-L367 WeakPolarHBondContact CB-O 3.37Å; S201-L367 PolarHBondContact OG-O 3.04Å
202	V	87.8	Confident	83.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-44.8	173.7	172.4	0	0	0	0	110.1	L161 L198 F199 N200 W205 I206 T241 A244 L367	L161-V202 HydrophobicContact CD2-CG2 4.18Å; L198-V202 HydrophobicContact CD1-CG2 4.35Å; L198-V202 WeakPolarHBondContact O-CG2 3.38Å; L198-V202 PolarHBondContact O-N 3.34Å; F199-V202 PolarHBondContact O-N 2.9Å; N200-V202 PolarHBondContact O-N 3.04Å; V202-W205 PolarHBondContact O-N 3.02Å; V202-I206 HydrophobicContact CG1-CD1 3.88Å; V202-I206 WeakPolarHBondContact O-CD1 3.34Å; V202-I206 VanDerWaalsContact O-CG1 3.23Å; V202-I206 WeakPolarHBondContact O-CG1 3.27Å; V202-I206 PolarHBondContact O-N 3.11Å; V202-I206 VanDerWaalsContact O-N 3.11Å; V202-T241 HydrophobicContact CG1-CG2 4.2Å; V202-A244 HydrophobicContact CB-CB 4.09Å; V202-A244 HydrophobicContact CG1-CB 3.86Å; V202-L367 HydrophobicContact CB-CD2 4.24Å; V202-L367 HydrophobicContact CG2-CD1 4.28Å; V202-L367 HydrophobicContact CG2-CD2 3.71Å
203	S	89.6	Confident	83.7	Confident	14 Å²	14	18.1 Å²	18.1	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-45.6	179.3	-54.3	0	0	0	0	112.3	F199 N200 S201 Q207 A244	F199-S203 PolarHBondContact O-N 3.38Å; F199-S203 PolarHBondContact O-OG 3.01Å; F199-S203 VanDerWaalsContact O-OG 3.06Å; N200-S203 WeakPolarHBondContact O-CB 3.27Å; N200-S203 PolarHBondContact O-N 3.35Å; N200-S203 VanDerWaalsContact O-N 3.16Å; S201-S203 VanDerWaalsContact C-N 3.32Å; S201-S203 PolarHBondContact O-N 2.91Å; S203-Q207 VanDerWaalsContact O-CG 3.31Å; S203-Q207 WeakPolarHBondContact O-CG 3.47Å; S203-Q207 PolarHBondContact O-N 3.11Å; S203-Q207 PolarHBondContact O-NE2 3.16Å; S203-Q207 VanDerWaalsContact O-NE2 3.13Å; S203-A244 WeakPolarHBondContact OG-CA 3.44Å; S203-A244 PolarHBondContact OG-O 2.55Å
204	Q	84.6	Confident	83.8	Confident	19 Å²	19	20 Å²	20	9%	0.089	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-46.4	175.7	-71	-170.2	15.2	0	0	111.7	N200 S201 I206 Q207 L208 H371 I376	N200-Q204 PolarHBondContact O-N 3.22Å; S201-Q204 PolarHBondContact O-N 2.84Å; Q204-I206 PolarHBondContact O-N 2.67Å; Q204-Q207 WeakPolarHBondContact O-CA 3.42Å; Q204-Q207 WeakPolarHBondContact O-CB 3.38Å; Q204-Q207 PolarHBondContact O-N 3.41Å; Q204-L208 WeakPolarHBondContact O-CB 3.48Å; Q204-L208 VanDerWaalsContact O-CG 3.23Å; Q204-L208 WeakPolarHBondContact O-CG 3.24Å; Q204-L208 PolarHBondContact O-N 3.3Å; Q204-H371 PolarHBondContact NE2-O 2.84Å; Q204-H371 PolarHBondContact OE1-O 3.13Å; Q204-I376 HydrophobicContact CB-CD1 4.45Å; Q204-I376 HydrophobicContact CG-CD1 4.13Å
205	W	86.1	Confident	84.2	Confident	9 Å²	9	18.3 Å²	18.3	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-55	-39.9	179.3	174.4	70.8	0	0	0	112	F149 L157 S201 V202 L208 M209 F226 L363 L367	F149-W205 AromaticContact CD2-CH2 3.95Å; F149-W205 HydrophobicContact CD2-CH2 3.95Å; F149-W205 AromaticContact CD2-CZ2 3.85Å; F149-W205 HydrophobicContact CD2-CZ2 3.85Å; F149-W205 AromaticContact CE2-CH2 3.61Å; F149-W205 HydrophobicContact CE2-CH2 3.61Å; F149-W205 AromaticContact CE2-CZ2 3.85Å; F149-W205 HydrophobicContact CE2-CZ2 3.85Å; L157-W205 HydrophobicContact CD1-CH2 3.91Å; L157-W205 HydrophobicContact CD1-CZ3 4.32Å; L157-W205 HydrophobicContact CD2-CH2 3.98Å; L157-W205 HydrophobicContact CD2-CZ3 4.38Å; S201-W205 WeakPolarHBondContact O-CB 3.35Å; S201-W205 PolarHBondContact O-N 3.48Å; V202-W205 PolarHBondContact O-N 3.02Å; W205-L208 PolarHBondContact O-N 3.36Å; W205-M209 HydrophobicContact CD2-CG 4.18Å; W205-M209 HydrophobicContact CG-CG 4.45Å; W205-M209 HydrophobicContact CZ2-CG 4.04Å; W205-M209 HydrophobicContact CZ2-SD 4.41Å; W205-M209 WeakPolarHBondContact O-CB 3.21Å; W205-M209 VanDerWaalsContact O-CG 3.28Å; W205-M209 WeakPolarHBondContact O-CG 3.45Å; W205-M209 PolarHBondContact O-N 3.09Å; W205-F226 HydrophobicContact CE3-CE1 4.41Å; W205-F226 HydrophobicContact CE3-CZ 4.39Å; W205-F226 HydrophobicContact CH2-CE1 4.13Å; W205-F226 HydrophobicContact CH2-CZ 4.18Å; W205-F226 AromaticContact CZ3-CE1 3.74Å; W205-F226 HydrophobicContact CZ3-CE1 3.74Å; W205-F226 AromaticContact CZ3-CZ 3.99Å; W205-F226 HydrophobicContact CZ3-CZ 3.99Å; W205-L363 HydrophobicContact CH2-CD2 4.05Å; W205-L363 HydrophobicContact CZ2-CD2 4.14Å; W205-L367 HydrophobicContact CB-CD2 3.76Å; W205-L367 HydrophobicContact CD2-CD2 4.21Å; W205-L367 HydrophobicContact CE3-CD2 4.26Å; W205-L367 HydrophobicContact CG-CD2 4.01Å
206	I	89.9	Confident	84.6	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175	-69.2	164.6	0	0	0	111.8	V202 Q204 L208 M209 V210 F226 V245 L249	V202-I206 HydrophobicContact CG1-CD1 3.88Å; V202-I206 WeakPolarHBondContact O-CD1 3.34Å; V202-I206 VanDerWaalsContact O-CG1 3.23Å; V202-I206 WeakPolarHBondContact O-CG1 3.27Å; V202-I206 PolarHBondContact O-N 3.11Å; V202-I206 VanDerWaalsContact O-N 3.11Å; Q204-I206 PolarHBondContact O-N 2.67Å; I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 PolarHBondContact O-N 3.15Å; I206-M209 PolarHBondContact O-N 3.05Å; I206-V210 WeakPolarHBondContact O-CG2 3.36Å; I206-V210 PolarHBondContact O-N 3.2Å; I206-F226 HydrophobicContact CB-CE2 4.34Å; I206-F226 HydrophobicContact CB-CZ 4.34Å; I206-F226 HydrophobicContact CD1-CD1 4.34Å; I206-F226 HydrophobicContact CD1-CE1 4.38Å; I206-F226 HydrophobicContact CG1-CD1 3.98Å; I206-F226 HydrophobicContact CG1-CE1 3.67Å; I206-F226 HydrophobicContact CG1-CE2 4.23Å; I206-F226 HydrophobicContact CG1-CG 4.4Å; I206-F226 HydrophobicContact CG1-CZ 3.79Å; I206-F226 HydrophobicContact CG2-CD1 4.5Å; I206-F226 HydrophobicContact CG2-CD2 3.84Å; I206-F226 HydrophobicContact CG2-CE2 4.03Å; I206-F226 HydrophobicContact CG2-CG 4.07Å; I206-F226 HydrophobicContact CG2-CZ 4.45Å; I206-V245 HydrophobicContact CD1-CB 3.95Å; I206-V245 HydrophobicContact CD1-CG1 4.11Å; I206-V245 HydrophobicContact CD1-CG2 3.56Å; I206-L249 HydrophobicContact CG2-CD2 3.67Å; I206-L249 HydrophobicContact CG2-CG 4Å
207	Q	86.9	Confident	85.2	Confident	10 Å²	10	24.9 Å²	24.9	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-44.8	176.1	-63.4	162.8	39.1	0	0	110.9	S203 Q204 V210 L211 G248 N251 I254 I376	S203-Q207 VanDerWaalsContact O-CG 3.31Å; S203-Q207 WeakPolarHBondContact O-CG 3.47Å; S203-Q207 PolarHBondContact O-N 3.11Å; S203-Q207 PolarHBondContact O-NE2 3.16Å; S203-Q207 VanDerWaalsContact O-NE2 3.13Å; Q204-Q207 WeakPolarHBondContact O-CA 3.42Å; Q204-Q207 WeakPolarHBondContact O-CB 3.38Å; Q204-Q207 PolarHBondContact O-N 3.41Å; Q207-V210 PolarHBondContact O-N 2.91Å; Q207-L211 WeakPolarHBondContact O-CB 3.45Å; Q207-L211 VanDerWaalsContact O-CG 3.31Å; Q207-L211 WeakPolarHBondContact O-CG 3.49Å; Q207-L211 PolarHBondContact O-N 3.18Å; Q207-G248 WeakPolarHBondContact CG-O 3.43Å; Q207-N251 HydrophobicContact CG-CB 4.18Å; Q207-I254 HydrophobicContact CB-CD1 4.22Å; Q207-I254 HydrophobicContact CB-CG1 4.24Å; Q207-I254 HydrophobicContact CG-CG1 3.99Å; Q207-I376 HydrophobicContact CB-CG2 4.1Å
208	L	82.3	Confident	85.6	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-42.7	177.9	-65.7	171.2	0	0	0	111.8	Q204 W205 I206 V210 L211 S212 H371 I376 M379 Y460	Q204-L208 WeakPolarHBondContact O-CB 3.48Å; Q204-L208 VanDerWaalsContact O-CG 3.23Å; Q204-L208 WeakPolarHBondContact O-CG 3.24Å; Q204-L208 PolarHBondContact O-N 3.3Å; W205-L208 PolarHBondContact O-N 3.36Å; I206-L208 VanDerWaalsContact C-N 3.32Å; I206-L208 PolarHBondContact O-N 3.15Å; L208-V210 PolarHBondContact O-N 2.93Å; L208-L211 PolarHBondContact O-N 3.24Å; L208-S212 WeakPolarHBondContact O-CB 3.41Å; L208-S212 PolarHBondContact O-N 3.2Å; L208-H371 WeakPolarHBondContact CD1-ND1 3.47Å; L208-H371 HydrophobicContact CD2-CB 4.29Å; L208-I376 HydrophobicContact CD2-CG1 4.14Å; L208-M379 HydrophobicContact CD2-SD 4.49Å; L208-Y460 WeakPolarHBondContact CA-OH 3.46Å; L208-Y460 HydrophobicContact CB-CE2 3.88Å; L208-Y460 VanDerWaalsContact CB-OH 3.3Å; L208-Y460 WeakPolarHBondContact CB-OH 3.34Å; L208-Y460 HydrophobicContact CD2-CE1 4.44Å; L208-Y460 HydrophobicContact CD2-CE2 4.38Å; L208-Y460 WeakPolarHBondContact CD2-OH 3.34Å; L208-Y460 HydrophobicContact CG-CE2 4.47Å; L208-Y460 PolarHBondContact O-OH 3.14Å
209	M	83.7	Confident	86.1	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-42.8	174	-75.7	-48	94.2	0	0	111.8	F149 W205 I206 S212 V222 F226 P459	F149-M209 HydrophobicContact CZ-CG 4.39Å; W205-M209 HydrophobicContact CD2-CG 4.18Å; W205-M209 HydrophobicContact CG-CG 4.45Å; W205-M209 HydrophobicContact CZ2-CG 4.04Å; W205-M209 HydrophobicContact CZ2-SD 4.41Å; W205-M209 WeakPolarHBondContact O-CB 3.21Å; W205-M209 VanDerWaalsContact O-CG 3.28Å; W205-M209 WeakPolarHBondContact O-CG 3.45Å; W205-M209 PolarHBondContact O-N 3.09Å; I206-M209 PolarHBondContact O-N 3.05Å; M209-S212 PolarHBondContact O-OG 3.49Å; M209-V222 HydrophobicContact CB-CG1 4.3Å; M209-F226 HydrophobicContact CB-CE2 3.73Å; M209-F226 HydrophobicContact CB-CZ 3.98Å; M209-F226 HydrophobicContact CG-CE2 4.3Å; M209-F226 HydrophobicContact CG-CZ 4.03Å; M209-P459 HydrophobicContact CE-CG 3.5Å; M209-P459 HydrophobicContact SD-CG 4.29Å
210	V	87.8	Confident	86.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-51	174.6	175.6	0	0	0	0	110.5	I206 Q207 L208 S212 K213 R219 V222 V223 L249 I254 L257	I206-V210 WeakPolarHBondContact O-CG2 3.36Å; I206-V210 PolarHBondContact O-N 3.2Å; Q207-V210 PolarHBondContact O-N 2.91Å; L208-V210 PolarHBondContact O-N 2.93Å; V210-S212 PolarHBondContact O-N 3.32Å; V210-K213 PolarHBondContact O-N 3.44Å; V210-R219 HydrophobicContact CG1-CB 4.16Å; V210-R219 HydrophobicContact CG1-CG 4.41Å; V210-R219 WeakPolarHBondContact O-CD 3.38Å; V210-R219 VanDerWaalsContact O-CG 3.27Å; V210-R219 WeakPolarHBondContact O-CG 3.48Å; V210-V222 HydrophobicContact CG2-CB 4.49Å; V210-V222 HydrophobicContact CG2-CG1 3.85Å; V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 3.81Å; V210-V223 HydrophobicContact CG2-CG2 3.66Å; V210-L249 HydrophobicContact CG2-CD2 4.34Å; V210-I254 HydrophobicContact CB-CD1 4.05Å; V210-I254 HydrophobicContact CG1-CD1 4Å; V210-I254 HydrophobicContact CG1-CG2 4.4Å; V210-L257 HydrophobicContact CG1-CD1 4.44Å
211	L	84.1	Confident	87	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-17.8	-177.4	-67.7	173.6	0	0	0	113.8	Q207 L208 K213 I254 L257 I376 M379 R383	Q207-L211 WeakPolarHBondContact O-CB 3.45Å; Q207-L211 VanDerWaalsContact O-CG 3.31Å; Q207-L211 WeakPolarHBondContact O-CG 3.49Å; Q207-L211 PolarHBondContact O-N 3.18Å; L208-L211 PolarHBondContact O-N 3.24Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.95Å; L211-I254 HydrophobicContact CD1-CD1 4.19Å; L211-I254 HydrophobicContact CD2-CD1 4.17Å; L211-I254 HydrophobicContact CG-CD1 3.83Å; L211-L257 HydrophobicContact CD2-CD1 3.98Å; L211-I376 HydrophobicContact CD1-CG2 3.62Å; L211-I376 WeakPolarHBondContact CD1-O 3.29Å; L211-M379 HydrophobicContact CB-CE 4.17Å; L211-M379 HydrophobicContact CD1-CB 4.07Å; L211-R383 HydrophobicContact CD2-CG 4.2Å; L211-R383 VanDerWaalsContact O-CZ 3.31Å; L211-R383 PolarHBondContact O-NE 3.35Å; L211-R383 PolarHBondContact O-NH2 3.25Å
212	S	80.8	Confident	87.5	Confident	21 Å²	21	27.6 Å²	27.6	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-39.9	173.2	76.5	0	0	0	0	112.5	L208 M209 V210 R383 P459	L208-S212 WeakPolarHBondContact O-CB 3.41Å; L208-S212 PolarHBondContact O-N 3.2Å; M209-S212 PolarHBondContact O-OG 3.49Å; V210-S212 PolarHBondContact O-N 3.32Å; S212-R383 PolarHBondContact O-NH2 3.48Å; S212-P459 VanDerWaalsContact CB-CB 3.41Å
213	K	82.3	Confident	87.8	Confident	26 Å²	26	27.8 Å²	27.8	11%	0.113	16%	0.16	C	C	.	.			trans	-76.9	130.5	-171.2	-51.5	-60.9	-172.6	179.6	0	111.1	D150 V210 L211 Q218 R219 V222	D150-K213 WeakPolarHBondContact OD1-CE 3.45Å; D150-K213 IonicContact OD1-NZ 2.94Å; D150-K213 PolarHBondContact OD1-NZ 3.15Å; D150-K213 IonicContact OD2-NZ 3.58Å; D150-K213 PolarHBondContact OD2-NZ 2.93Å; V210-K213 PolarHBondContact O-N 3.44Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.95Å; K213-Q218 HydrophobicContact CB-CB 3.77Å; K213-Q218 HydrophobicContact CG-CB 4.28Å; K213-R219 HydrophobicContact CB-CG 3.98Å; K213-R219 WeakPolarHBondContact O-CG 3.41Å; K213-R219 PolarHBondContact O-NH1 2.94Å; K213-V222 HydrophobicContact CD-CG2 4.31Å; K213-V222 HydrophobicContact CG-CG2 3.75Å
214	P	79.9	Confident	88.1	Confident	88 Å²	88	27.7 Å²	27.7	57%	0.571	16%	0.16	S	C	*	.	S	Bend	trans	-73.1	-35.4	-169.8	26.8	-34.2	0	0	0	113.4	R219	P214-R219 PolarHBondContact O-NH1 2.9Å
215	T	86.4	Confident	88.5	Confident	65 Å²	65	28.3 Å²	28.3	40%	0.399	16%	0.162	S	C	.	.	S	Bend	trans	-99.6	147.7	-175.7	69	0	0	0	0	112.6	Q217 Q218 R219	T215-Q217 VanDerWaalsContact C-N 3.27Å; T215-Q217 PolarHBondContact O-N 2.76Å; T215-Q218 PolarHBondContact O-N 3.37Å; T215-Q218 WeakPolarHBondContact OG1-CB 3.38Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.29Å; T215-Q218 PolarHBondContact OG1-N 3.05Å; T215-Q218 PolarHBondContact OG1-OE1 3.15Å; T215-R219 WeakPolarHBondContact O-CG 3.13Å; T215-R219 PolarHBondContact O-N 3.35Å
216	A	92.1	Very high	88.9	Confident	18 Å²	18	27.9 Å²	27.9	15%	0.149	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-36.5	178.8	0	0	0	0	0	112.9	R219 A220 D259	A216-R219 PolarHBondContact O-N 3.27Å; A216-A220 WeakPolarHBondContact O-CB 3.1Å; A216-A220 PolarHBondContact O-N 3.45Å; A216-D259 HydrophobicContact CB-CB 4.38Å
217	Q	92.9	Very high	89.3	Confident	131 Å²	131	28 Å²	28	61%	0.612	16%	0.161	S	C	*	.	H	α-helix	trans	-64.1	-45.5	175.9	-67.7	176.9	-10.2	0	0	112.4	T215 A220 A221	T215-Q217 VanDerWaalsContact C-N 3.27Å; T215-Q217 PolarHBondContact O-N 2.76Å; Q217-A220 PolarHBondContact O-N 3.01Å; Q217-A221 PolarHBondContact O-N 3.42Å
218	Q	88.3	Confident	89.7	Confident	91 Å²	91	33.8 Å²	33.8	43%	0.425	18%	0.183	S	C	.	.	H	α-helix	trans	-66.5	-37.7	176.6	-70.5	165.8	-40.4	0	0	111.6	K213 T215 A221 V222	K213-Q218 HydrophobicContact CB-CB 3.77Å; K213-Q218 HydrophobicContact CG-CB 4.28Å; T215-Q218 PolarHBondContact O-N 3.37Å; T215-Q218 WeakPolarHBondContact OG1-CB 3.38Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.29Å; T215-Q218 PolarHBondContact OG1-N 3.05Å; T215-Q218 PolarHBondContact OG1-OE1 3.15Å; Q218-A221 PolarHBondContact O-N 3.24Å; Q218-V222 WeakPolarHBondContact O-CG2 3.45Å; Q218-V222 PolarHBondContact O-N 3.48Å; Q218-V222 VanDerWaalsContact O-N 3.12Å
219	R	92.4	Very high	90.3	Very high	6 Å²	6	33.7 Å²	33.7	2%	0.023	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-45.5	172.4	-67.9	-163	-68	-86	5.4	111.8	V210 K213 P214 T215 A216 A221 V222 V223 T260 E384	V210-R219 HydrophobicContact CG1-CB 4.16Å; V210-R219 HydrophobicContact CG1-CG 4.41Å; V210-R219 WeakPolarHBondContact O-CD 3.38Å; V210-R219 VanDerWaalsContact O-CG 3.27Å; V210-R219 WeakPolarHBondContact O-CG 3.48Å; K213-R219 HydrophobicContact CB-CG 3.98Å; K213-R219 WeakPolarHBondContact O-CG 3.41Å; K213-R219 PolarHBondContact O-NH1 2.94Å; P214-R219 PolarHBondContact O-NH1 2.9Å; T215-R219 WeakPolarHBondContact O-CG 3.13Å; T215-R219 PolarHBondContact O-N 3.35Å; A216-R219 PolarHBondContact O-N 3.27Å; R219-A221 VanDerWaalsContact C-N 3.29Å; R219-A221 PolarHBondContact O-N 3.18Å; R219-V222 PolarHBondContact O-N 3.03Å; R219-V222 VanDerWaalsContact O-N 3.17Å; R219-V223 WeakPolarHBondContact O-CG2 3.19Å; R219-V223 PolarHBondContact O-N 2.87Å; R219-T260 HydrophobicContact CB-CG2 3.53Å; R219-T260 PolarHBondContact NE-OG1 3.25Å; R219-T260 PolarHBondContact NH2-OG1 2.95Å; R219-E384 IonicContact CZ-OE1 3.16Å; R219-E384 IonicContact NE-OE1 2.77Å; R219-E384 IonicContact NH2-OE1 3.14Å; R219-E384 PolarHBondContact NH2-OE1 2.96Å
220	A	94.9	Very high	91	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-35	178.5	0	0	0	0	0	112.3	A216 Q217 S224 T260 H263 I264	A216-A220 WeakPolarHBondContact O-CB 3.1Å; A216-A220 PolarHBondContact O-N 3.45Å; Q217-A220 PolarHBondContact O-N 3.01Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.28Å; A220-S224 PolarHBondContact O-N 2.92Å; A220-S224 PolarHBondContact O-OG 3.27Å; A220-T260 HydrophobicContact CB-CG2 4.15Å; A220-H263 HydrophobicContact CB-CB 3.54Å; A220-I264 HydrophobicContact CB-CG1 3.85Å
221	A	92.3	Very high	91.4	Very high	62 Å²	62	36.9 Å²	36.9	51%	0.512	20%	0.197	S	C	.	.	H	α-helix	trans	-63.9	-43.5	172.4	0	0	0	0	0	112.2	Q217 Q218 R219 S224 H225	Q217-A221 PolarHBondContact O-N 3.42Å; Q218-A221 PolarHBondContact O-N 3.24Å; R219-A221 VanDerWaalsContact C-N 3.29Å; R219-A221 PolarHBondContact O-N 3.18Å; A221-S224 PolarHBondContact O-N 3.37Å; A221-H225 WeakPolarHBondContact O-CB 3.21Å; A221-H225 PolarHBondContact O-N 3.44Å
222	V	92.1	Very high	92	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-43.6	175.8	175	0	0	0	0	111.8	F149 M209 V210 K213 Q218 R219 S224 H225 F226	F149-V222 HydrophobicContact CE1-CG1 4.26Å; M209-V222 HydrophobicContact CB-CG1 4.3Å; V210-V222 HydrophobicContact CG2-CB 4.49Å; V210-V222 HydrophobicContact CG2-CG1 3.85Å; K213-V222 HydrophobicContact CD-CG2 4.31Å; K213-V222 HydrophobicContact CG-CG2 3.75Å; Q218-V222 WeakPolarHBondContact O-CG2 3.45Å; Q218-V222 PolarHBondContact O-N 3.48Å; Q218-V222 VanDerWaalsContact O-N 3.12Å; R219-V222 PolarHBondContact O-N 3.03Å; R219-V222 VanDerWaalsContact O-N 3.17Å; V222-S224 VanDerWaalsContact C-N 3.33Å; V222-S224 PolarHBondContact O-N 3.11Å; V222-H225 WeakPolarHBondContact O-CB 3.16Å; V222-H225 PolarHBondContact O-N 2.94Å; V222-F226 HydrophobicContact CG1-CD2 3.73Å; V222-F226 HydrophobicContact CG1-CE2 3.56Å; V222-F226 WeakPolarHBondContact O-CD2 3.47Å; V222-F226 PolarHBondContact O-N 3.41Å
223	V	94.7	Very high	92.7	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-46.1	173.6	173.4	0	0	0	0	110.6	V210 R219 H225 F226 I227 L249 I254 I264	V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 3.81Å; V210-V223 HydrophobicContact CG2-CG2 3.66Å; R219-V223 WeakPolarHBondContact O-CG2 3.19Å; R219-V223 PolarHBondContact O-N 2.87Å; V223-H225 VanDerWaalsContact C-N 3.29Å; V223-H225 PolarHBondContact O-N 2.69Å; V223-F226 PolarHBondContact O-N 3.31Å; V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.48Å; V223-I227 VanDerWaalsContact O-CG1 3.32Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 3.04Å; V223-L249 HydrophobicContact CG1-CD2 4.19Å; V223-L249 HydrophobicContact CG2-CD2 4.26Å; V223-I254 HydrophobicContact CG2-CG2 4.49Å; V223-I264 HydrophobicContact CB-CD1 4.03Å; V223-I264 HydrophobicContact CG1-CD1 3.53Å
224	S	95	Very high	93.4	Very high	13 Å²	13	39.4 Å²	39.4	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-34.3	177.2	-58.6	0	0	0	0	112.7	A220 A221 V222 R228	A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.28Å; A220-S224 PolarHBondContact O-N 2.92Å; A220-S224 PolarHBondContact O-OG 3.27Å; A221-S224 PolarHBondContact O-N 3.37Å; V222-S224 VanDerWaalsContact C-N 3.33Å; V222-S224 PolarHBondContact O-N 3.11Å; S224-R228 WeakPolarHBondContact O-CG 3.3Å; S224-R228 PolarHBondContact O-N 3.17Å
225	H	93.6	Very high	94.1	Very high	32 Å²	32	41.4 Å²	41.4	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-49	173	-179	95.3	0	0	0	111.1	L152 S154 A221 V222 V223 I227 R228 V229	L152-H225 PolarHBondContact O-CE1 3.19Å; L152-H225 VanDerWaalsContact O-CE1 3.25Å; S154-H225 PolarHBondContact OG-CE1 2.88Å; S154-H225 PolarHBondContact OG-ND1 2.72Å; S154-H225 PolarHBondContact OG-NE2 3.33Å; A221-H225 WeakPolarHBondContact O-CB 3.21Å; A221-H225 PolarHBondContact O-N 3.44Å; V222-H225 WeakPolarHBondContact O-CB 3.16Å; V222-H225 PolarHBondContact O-N 2.94Å; V223-H225 VanDerWaalsContact C-N 3.29Å; V223-H225 PolarHBondContact O-N 2.69Å; H225-I227 VanDerWaalsContact C-N 3.29Å; H225-I227 PolarHBondContact O-N 2.83Å; H225-R228 WeakPolarHBondContact O-CA 3.38Å; H225-R228 WeakPolarHBondContact O-CB 3.39Å; H225-R228 PolarHBondContact O-N 3.11Å; H225-V229 WeakPolarHBondContact O-CG2 3.29Å; H225-V229 PolarHBondContact O-N 2.99Å
226	F	95.4	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-30.2	178	-77.4	-60	0	0	0	113.7	F149 L157 W205 I206 M209 V222 V223 R228 V229 A230 V245 L249	F149-F226 HydrophobicContact CE1-CZ 4.47Å; F149-F226 AromaticContact CE2-CE1 3.95Å; F149-F226 HydrophobicContact CE2-CE1 3.95Å; F149-F226 HydrophobicContact CE2-CE2 4.44Å; F149-F226 AromaticContact CE2-CZ 3.62Å; F149-F226 HydrophobicContact CE2-CZ 3.62Å; F149-F226 AromaticContact CZ-CE1 3.92Å; F149-F226 HydrophobicContact CZ-CE1 3.92Å; F149-F226 AromaticContact CZ-CE2 3.7Å; F149-F226 HydrophobicContact CZ-CE2 3.7Å; F149-F226 AromaticContact CZ-CZ 3.32Å; F149-F226 HydrophobicContact CZ-CZ 3.32Å; L157-F226 HydrophobicContact CD2-CE1 4.12Å; W205-F226 HydrophobicContact CE3-CE1 4.41Å; W205-F226 HydrophobicContact CE3-CZ 4.39Å; W205-F226 HydrophobicContact CH2-CE1 4.13Å; W205-F226 HydrophobicContact CH2-CZ 4.18Å; W205-F226 AromaticContact CZ3-CE1 3.74Å; W205-F226 HydrophobicContact CZ3-CE1 3.74Å; W205-F226 AromaticContact CZ3-CZ 3.99Å; W205-F226 HydrophobicContact CZ3-CZ 3.99Å; I206-F226 HydrophobicContact CB-CE2 4.34Å; I206-F226 HydrophobicContact CB-CZ 4.34Å; I206-F226 HydrophobicContact CD1-CD1 4.34Å; I206-F226 HydrophobicContact CD1-CE1 4.38Å; I206-F226 HydrophobicContact CG1-CD1 3.98Å; I206-F226 HydrophobicContact CG1-CE1 3.67Å; I206-F226 HydrophobicContact CG1-CE2 4.23Å; I206-F226 HydrophobicContact CG1-CG 4.4Å; I206-F226 HydrophobicContact CG1-CZ 3.79Å; I206-F226 HydrophobicContact CG2-CD1 4.5Å; I206-F226 HydrophobicContact CG2-CD2 3.84Å; I206-F226 HydrophobicContact CG2-CE2 4.03Å; I206-F226 HydrophobicContact CG2-CG 4.07Å; I206-F226 HydrophobicContact CG2-CZ 4.45Å; M209-F226 HydrophobicContact CB-CE2 3.73Å; M209-F226 HydrophobicContact CB-CZ 3.98Å; M209-F226 HydrophobicContact CG-CE2 4.3Å; M209-F226 HydrophobicContact CG-CZ 4.03Å; V222-F226 HydrophobicContact CG1-CD2 3.73Å; V222-F226 HydrophobicContact CG1-CE2 3.56Å; V222-F226 WeakPolarHBondContact O-CD2 3.47Å; V222-F226 PolarHBondContact O-N 3.41Å; V223-F226 PolarHBondContact O-N 3.31Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 2.87Å; F226-V229 HydrophobicContact CD1-CG2 4.41Å; F226-V229 WeakPolarHBondContact O-CB 3.47Å; F226-V229 PolarHBondContact O-N 3.41Å; F226-A230 WeakPolarHBondContact O-CB 3.31Å; F226-A230 PolarHBondContact O-N 2.9Å; F226-V245 HydrophobicContact CB-CG1 4.31Å; F226-L249 HydrophobicContact CB-CD1 3.95Å; F226-L249 HydrophobicContact CB-CD2 4.22Å; F226-L249 HydrophobicContact CB-CG 4.43Å
227	I	96.6	Very high	94.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-37.1	171.2	-66.9	162.4	0	0	0	110.9	V223 H225 A230 Q231 L249 T268 V271 F272	V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.48Å; V223-I227 VanDerWaalsContact O-CG1 3.32Å; V223-I227 WeakPolarHBondContact O-CG1 3.49Å; V223-I227 PolarHBondContact O-N 3.04Å; H225-I227 VanDerWaalsContact C-N 3.29Å; H225-I227 PolarHBondContact O-N 2.83Å; I227-A230 WeakPolarHBondContact O-CB 3.41Å; I227-A230 PolarHBondContact O-N 3.36Å; I227-Q231 WeakPolarHBondContact O-CG 3.4Å; I227-Q231 PolarHBondContact O-N 3Å; I227-L249 HydrophobicContact CG1-CD1 3.78Å; I227-T268 HydrophobicContact CB-CG2 4.11Å; I227-T268 HydrophobicContact CD1-CG2 3.55Å; I227-T268 HydrophobicContact CG1-CG2 4.43Å; I227-T268 HydrophobicContact CG2-CG2 3.97Å; I227-V271 HydrophobicContact CG2-CB 4.33Å; I227-V271 HydrophobicContact CG2-CG1 3.69Å; I227-F272 HydrophobicContact CD1-CB 3.82Å; I227-F272 HydrophobicContact CD1-CD2 4.27Å; I227-F272 HydrophobicContact CD1-CG 3.98Å; I227-F272 HydrophobicContact CG1-CB 4.07Å; I227-F272 HydrophobicContact CG1-CD2 3.85Å; I227-F272 HydrophobicContact CG1-CG 4.06Å; I227-F272 HydrophobicContact CG2-CB 4.22Å
228	R	96.1	Very high	94.9	Very high	132 Å²	132	35.4 Å²	35.4	50%	0.498	17%	0.174	S	C	.	.	H	α-helix	trans	-67.8	-40.9	172.3	-63.4	167.2	-165.3	172.7	4.2	111.7	S224 H225 F226 A230 Q231 K232	S224-R228 WeakPolarHBondContact O-CG 3.3Å; S224-R228 PolarHBondContact O-N 3.17Å; H225-R228 WeakPolarHBondContact O-CA 3.38Å; H225-R228 WeakPolarHBondContact O-CB 3.39Å; H225-R228 PolarHBondContact O-N 3.11Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 2.87Å; R228-A230 VanDerWaalsContact C-N 3.3Å; R228-A230 PolarHBondContact O-N 3.33Å; R228-Q231 WeakPolarHBondContact O-CB 3.41Å; R228-Q231 PolarHBondContact O-N 2.77Å; R228-K232 WeakPolarHBondContact O-CG 3.39Å; R228-K232 PolarHBondContact O-N 3.41Å
229	V	95.8	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-43.7	172.9	177.4	0	0	0	0	110.4	L157 A158 H225 F226 Q231 K232 L233	L157-V229 HydrophobicContact CB-CG2 4.43Å; L157-V229 HydrophobicContact CD2-CG2 3.97Å; L157-V229 HydrophobicContact CG-CG1 4.35Å; L157-V229 HydrophobicContact CG-CG2 4.41Å; A158-V229 HydrophobicContact CB-CG1 4.14Å; H225-V229 WeakPolarHBondContact O-CG2 3.29Å; H225-V229 PolarHBondContact O-N 2.99Å; F226-V229 HydrophobicContact CD1-CG2 4.41Å; F226-V229 WeakPolarHBondContact O-CB 3.47Å; F226-V229 PolarHBondContact O-N 3.41Å; V229-Q231 PolarHBondContact O-N 3.3Å; V229-K232 CarbonylContact O-C 3.58Å; V229-K232 WeakPolarHBondContact O-CA 3.42Å; V229-K232 WeakPolarHBondContact O-CB 3.44Å; V229-K232 PolarHBondContact O-N 3.03Å; V229-L233 HydrophobicContact CG1-CD1 4.11Å; V229-L233 HydrophobicContact CG1-CG 4.44Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 3.07Å
230	A	97	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-42.1	174.8	0	0	0	0	0	112.7	F226 I227 R228 K232 L233 L234 L242 V245 L275	F226-A230 WeakPolarHBondContact O-CB 3.31Å; F226-A230 PolarHBondContact O-N 2.9Å; I227-A230 WeakPolarHBondContact O-CB 3.41Å; I227-A230 PolarHBondContact O-N 3.36Å; R228-A230 VanDerWaalsContact C-N 3.3Å; R228-A230 PolarHBondContact O-N 3.33Å; A230-K232 VanDerWaalsContact C-N 3.28Å; A230-K232 PolarHBondContact O-N 2.93Å; A230-L233 PolarHBondContact O-N 3.31Å; A230-L234 PolarHBondContact O-N 3Å; A230-L242 HydrophobicContact CB-CD1 3.74Å; A230-V245 HydrophobicContact CB-CB 4.45Å; A230-V245 HydrophobicContact CB-CG1 3.87Å; A230-L275 HydrophobicContact CB-CD1 3.73Å
231	Q	97	Very high	95.5	Very high	72 Å²	72	30.6 Å²	30.6	34%	0.336	15%	0.151	S	C	.	.	H	α-helix	trans	-60.6	-36.8	171.7	-67.1	178.7	-70	0	0	112.5	I227 R228 V229 L234 Q235 V271 L275	I227-Q231 WeakPolarHBondContact O-CG 3.4Å; I227-Q231 PolarHBondContact O-N 3Å; R228-Q231 WeakPolarHBondContact O-CB 3.41Å; R228-Q231 PolarHBondContact O-N 2.77Å; V229-Q231 PolarHBondContact O-N 3.3Å; Q231-L234 PolarHBondContact O-N 3.37Å; Q231-Q235 WeakPolarHBondContact O-CG 3.46Å; Q231-Q235 PolarHBondContact O-N 2.96Å; Q231-V271 VanDerWaalsContact CD-CG1 3.41Å; Q231-V271 HydrophobicContact CG-CG1 3.56Å; Q231-L275 HydrophobicContact CG-CD1 4.27Å
232	K	96.2	Very high	95.7	Very high	64 Å²	64	27.6 Å²	27.6	28%	0.278	13%	0.127	S	C	.	.	H	α-helix	trans	-71	-40.2	176.7	-67.4	-55.2	-168.1	167.8	0	112.7	S155 A158 R228 V229 A230 L234 Q235 L236	S155-K232 WeakPolarHBondContact OG-CD 3.42Å; S155-K232 WeakPolarHBondContact OG-CE 3.4Å; S155-K232 PolarHBondContact OG-NZ 2.95Å; A158-K232 HydrophobicContact CB-CB 3.6Å; R228-K232 WeakPolarHBondContact O-CG 3.39Å; R228-K232 PolarHBondContact O-N 3.41Å; V229-K232 CarbonylContact O-C 3.58Å; V229-K232 WeakPolarHBondContact O-CA 3.42Å; V229-K232 WeakPolarHBondContact O-CB 3.44Å; V229-K232 PolarHBondContact O-N 3.03Å; A230-K232 VanDerWaalsContact C-N 3.28Å; A230-K232 PolarHBondContact O-N 2.93Å; K232-L234 VanDerWaalsContact C-N 3.31Å; K232-L234 PolarHBondContact O-N 3Å; K232-Q235 VanDerWaalsContact CD-OE1 3.23Å; K232-Q235 WeakPolarHBondContact O-CB 3.35Å; K232-Q235 PolarHBondContact O-N 3.47Å; K232-Q235 VanDerWaalsContact O-N 3.13Å; K232-L236 WeakPolarHBondContact O-CG 3.47Å; K232-L236 PolarHBondContact O-N 3.44Å
233	L	96.6	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-41.2	171.6	-69.2	167.2	0	0	0	111.7	A158 T162 V229 A230 L236 Q237 N238 T241 L242 V245	A158-L233 HydrophobicContact CB-CD2 3.79Å; A158-L233 HydrophobicContact CB-CG 3.81Å; A158-L233 WeakPolarHBondContact O-CD2 3.39Å; T162-L233 WeakPolarHBondContact OG1-CD2 3.36Å; V229-L233 HydrophobicContact CG1-CD1 4.11Å; V229-L233 HydrophobicContact CG1-CG 4.44Å; V229-L233 WeakPolarHBondContact O-CG 3.43Å; V229-L233 PolarHBondContact O-N 3.07Å; A230-L233 PolarHBondContact O-N 3.31Å; L233-L236 CarbonylContact O-C 3.56Å; L233-L236 PolarHBondContact O-N 2.92Å; L233-Q237 PolarHBondContact O-N 2.97Å; L233-N238 HydrophobicContact CD2-CB 4.31Å; L233-N238 PolarHBondContact O-N 2.83Å; L233-T241 HydrophobicContact CD1-CG2 3.67Å; L233-T241 HydrophobicContact CD2-CG2 4.08Å; L233-L242 HydrophobicContact CB-CB 4.25Å; L233-V245 HydrophobicContact CD1-CG2 3.72Å
234	L	96.4	Very high	95.8	Very high	37 Å²	37	27.2 Å²	27.2	19%	0.194	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-36.8	173.4	-177.5	57.9	0	0	0	112.9	A230 Q231 K232 L236 Q237 F239 L242 L275 L278	A230-L234 PolarHBondContact O-N 3Å; Q231-L234 PolarHBondContact O-N 3.37Å; K232-L234 VanDerWaalsContact C-N 3.31Å; K232-L234 PolarHBondContact O-N 3Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-Q237 PolarHBondContact O-N 3.48Å; L234-Q237 VanDerWaalsContact O-N 3.15Å; L234-F239 HydrophobicContact CD1-CD1 4.37Å; L234-F239 HydrophobicContact CD1-CE1 3.7Å; L234-F239 HydrophobicContact CD1-CZ 4.28Å; L234-L242 HydrophobicContact CB-CD2 4.16Å; L234-L242 HydrophobicContact CD1-CD2 4.12Å; L234-L275 HydrophobicContact CD2-CD2 3.67Å; L234-L278 HydrophobicContact CD1-CD2 3.57Å; L234-L278 HydrophobicContact CD2-CD2 3.75Å; L234-L278 HydrophobicContact CG-CD2 4.32Å
235	Q	94.8	Very high	95.8	Very high	130 Å²	130	26.6 Å²	26.6	61%	0.607	12%	0.12	S	C	*	.	H	α-helix	trans	-65	-36.8	172.9	-74.2	172.1	8.5	0	0	112	Q231 K232 Q237	Q231-Q235 WeakPolarHBondContact O-CG 3.46Å; Q231-Q235 PolarHBondContact O-N 2.96Å; K232-Q235 VanDerWaalsContact CD-OE1 3.23Å; K232-Q235 WeakPolarHBondContact O-CB 3.35Å; K232-Q235 PolarHBondContact O-N 3.47Å; K232-Q235 VanDerWaalsContact O-N 3.13Å; Q235-Q237 PolarHBondContact O-N 3.2Å
236	L	94.5	Very high	95.8	Very high	48 Å²	48	25 Å²	25	25%	0.251	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.8	172.9	-66.4	170.8	0	0	0	113.7	A158 E159 K232 L233 L234 N238 F298	A158-L236 HydrophobicContact CB-CD1 4.02Å; E159-L236 HydrophobicContact CG-CD1 3.89Å; E159-L236 HydrophobicContact CG-CD2 4.38Å; K232-L236 WeakPolarHBondContact O-CG 3.47Å; K232-L236 PolarHBondContact O-N 3.44Å; L233-L236 CarbonylContact O-C 3.56Å; L233-L236 PolarHBondContact O-N 2.92Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L236-N238 PolarHBondContact O-N 2.93Å; L236-F298 WeakPolarHBondContact O-CD1 3.38Å; L236-F298 WeakPolarHBondContact O-CE1 3.45Å
237	Q	95.9	Very high	95.6	Very high	39 Å²	39	25.9 Å²	25.9	18%	0.182	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.3	-174.9	-51.5	-178.3	23.1	0	0	113.6	L233 L234 Q235 F239 C295 S296 F298 R299 F300	L233-Q237 PolarHBondContact O-N 2.97Å; L234-Q237 PolarHBondContact O-N 3.48Å; L234-Q237 VanDerWaalsContact O-N 3.15Å; Q235-Q237 PolarHBondContact O-N 3.2Å; Q237-F239 HydrophobicContact CB-CE2 4.28Å; Q237-F239 VanDerWaalsContact O-CD2 3.31Å; Q237-F239 WeakPolarHBondContact O-CD2 3.32Å; Q237-F239 WeakPolarHBondContact O-CE2 3.47Å; Q237-C295 PolarHBondContact OE1-SG 3.34Å; Q237-S296 PolarHBondContact NE2-O 3.01Å; Q237-S296 PolarHBondContact OE1-O 3.11Å; Q237-F298 WeakPolarHBondContact CB-O 3.38Å; Q237-F298 PolarHBondContact OE1-O 2.96Å; Q237-F298 VanDerWaalsContact OE1-O 3.12Å; Q237-R299 HydrophobicContact CB-CB 4.33Å; Q237-F300 PolarHBondContact O-N 3.22Å
238	N	96.3	Very high	95.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-95.6	98.4	175.4	177.8	-5.6	0	0	0	110	T162 L233 L236 N240 T241 L242 F300	T162-N238 WeakPolarHBondContact CA-ND2 3.34Å; T162-N238 WeakPolarHBondContact CB-ND2 3.28Å; T162-N238 HydrophobicContact CG2-CB 4.21Å; T162-N238 PolarHBondContact OG1-ND2 2.81Å; L233-N238 HydrophobicContact CD2-CB 4.31Å; L233-N238 PolarHBondContact O-N 2.83Å; L236-N238 PolarHBondContact O-N 2.93Å; N238-N240 PolarHBondContact OD1-N 3.1Å; N238-T241 PolarHBondContact ND2-OG1 3.04Å; N238-T241 PolarHBondContact OD1-N 3.02Å; N238-T241 PolarHBondContact OD1-OG1 3.16Å; N238-L242 WeakPolarHBondContact O-CB 3.43Å; N238-F300 HydrophobicContact CB-CB 4.47Å; N238-F300 WeakPolarHBondContact OD1-CD1 3.45Å
239	F	97.3	Very high	95.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-84.8	-26.6	179.7	-58.3	-88	0	0	0	112.3	L234 Q237 L242 M243 L278 Y288 R291 F292 F300 I302	L234-F239 HydrophobicContact CD1-CD1 4.37Å; L234-F239 HydrophobicContact CD1-CE1 3.7Å; L234-F239 HydrophobicContact CD1-CZ 4.28Å; Q237-F239 HydrophobicContact CB-CE2 4.28Å; Q237-F239 VanDerWaalsContact O-CD2 3.31Å; Q237-F239 WeakPolarHBondContact O-CD2 3.32Å; Q237-F239 WeakPolarHBondContact O-CE2 3.47Å; F239-L242 HydrophobicContact CD1-CD2 4.33Å; F239-L242 PolarHBondContact O-N 3.38Å; F239-M243 WeakPolarHBondContact O-CB 3.42Å; F239-M243 PolarHBondContact O-N 3.19Å; F239-L278 HydrophobicContact CE1-CD2 4.5Å; F239-Y288 HydrophobicContact CB-CD2 4.03Å; F239-Y288 HydrophobicContact CB-CE2 3.64Å; F239-Y288 AromaticContact CD1-CD2 3.92Å; F239-Y288 HydrophobicContact CD1-CD2 3.92Å; F239-Y288 HydrophobicContact CD1-CE2 4.2Å; F239-Y288 HydrophobicContact CD2-CE2 4.29Å; F239-Y288 AromaticContact CG-CD2 3.99Å; F239-Y288 HydrophobicContact CG-CD2 3.99Å; F239-Y288 AromaticContact CG-CE2 3.79Å; F239-Y288 HydrophobicContact CG-CE2 3.79Å; F239-R291 HydrophobicContact CE1-CB 4.49Å; F239-R291 HydrophobicContact CE1-CG 3.94Å; F239-R291 HydrophobicContact CZ-CG 4.04Å; F239-F292 AromaticContact CD2-CD2 3.76Å; F239-F292 HydrophobicContact CD2-CD2 3.76Å; F239-F292 HydrophobicContact CD2-CE2 4.4Å; F239-F292 AromaticContact CE2-CD2 3.8Å; F239-F292 HydrophobicContact CE2-CD2 3.8Å; F239-F300 PolarHBondContact N-O 2.96Å; F239-I302 HydrophobicContact CB-CD1 4.37Å; F239-I302 HydrophobicContact CB-CG1 3.78Å; F239-I302 WeakPolarHBondContact O-CG1 3.41Å
240	N	96.1	Very high	95	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.8	-57.9	179.9	-160.7	76.7	0	0	0	112	E165 F199 N238 L242 M243 A244 F300 P301 L303	E165-N240 PolarHBondContact OE1-ND2 3.48Å; E165-N240 PolarHBondContact OE2-ND2 2.53Å; F199-N240 WeakPolarHBondContact CE2-O 3.29Å; N238-N240 PolarHBondContact OD1-N 3.1Å; N240-L242 VanDerWaalsContact C-N 3.26Å; N240-L242 PolarHBondContact O-N 3.46Å; N240-M243 WeakPolarHBondContact O-CB 3.45Å; N240-M243 PolarHBondContact O-N 3.44Å; N240-A244 PolarHBondContact O-N 3.25Å; N240-A244 VanDerWaalsContact O-N 3.15Å; N240-F300 HydrophobicContact CB-CD1 4.05Å; N240-F300 HydrophobicContact CB-CE1 3.88Å; N240-F300 HydrophobicContact CB-CZ 4.38Å; N240-P301 WeakPolarHBondContact CB-O 3.06Å; N240-P301 PolarHBondContact OD1-O 2.69Å; N240-L303 PolarHBondContact OD1-N 2.78Å
241	T	95.8	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-31.9	178.1	-40.6	0	0	0	0	110.9	L161 E165 V202 L233 N238 M243 A244 V245	L161-T241 HydrophobicContact CB-CG2 3.86Å; L161-T241 HydrophobicContact CD1-CG2 4.1Å; E165-T241 WeakPolarHBondContact OE2-CA 3.4Å; E165-T241 WeakPolarHBondContact OE2-CB 3.4Å; E165-T241 PolarHBondContact OE2-N 3.17Å; E165-T241 VanDerWaalsContact OE2-N 3.14Å; E165-T241 PolarHBondContact OE2-OG1 3.47Å; V202-T241 HydrophobicContact CG1-CG2 4.2Å; L233-T241 HydrophobicContact CD1-CG2 3.67Å; L233-T241 HydrophobicContact CD2-CG2 4.08Å; N238-T241 PolarHBondContact ND2-OG1 3.04Å; N238-T241 PolarHBondContact OD1-N 3.02Å; N238-T241 PolarHBondContact OD1-OG1 3.16Å; T241-M243 VanDerWaalsContact C-N 3.31Å; T241-M243 PolarHBondContact O-N 3.43Å; T241-A244 WeakPolarHBondContact O-CB 3.37Å; T241-A244 PolarHBondContact O-N 3.01Å; T241-V245 HydrophobicContact CG2-CG2 4.42Å; T241-V245 VanDerWaalsContact O-CG2 3.32Å; T241-V245 WeakPolarHBondContact O-CG2 3.48Å; T241-V245 PolarHBondContact O-N 3.29Å
242	L	97	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-45.8	173.8	169.7	63.1	0	0	0	111	A230 L233 L234 N238 F239 N240 V245 V246 L275 L278 V279	A230-L242 HydrophobicContact CB-CD1 3.74Å; L233-L242 HydrophobicContact CB-CB 4.25Å; L234-L242 HydrophobicContact CB-CD2 4.16Å; L234-L242 HydrophobicContact CD1-CD2 4.12Å; N238-L242 WeakPolarHBondContact O-CB 3.43Å; F239-L242 HydrophobicContact CD1-CD2 4.33Å; F239-L242 PolarHBondContact O-N 3.38Å; N240-L242 VanDerWaalsContact C-N 3.26Å; N240-L242 PolarHBondContact O-N 3.46Å; L242-V245 PolarHBondContact O-N 2.86Å; L242-V246 HydrophobicContact CD1-CG2 3.88Å; L242-V246 HydrophobicContact CG-CG2 4.48Å; L242-V246 WeakPolarHBondContact O-CB 3.31Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 2.89Å; L242-L275 HydrophobicContact CD1-CD2 4.18Å; L242-L278 HydrophobicContact CD2-CD2 4.23Å; L242-V279 HydrophobicContact CD2-CG1 4.05Å; L242-V279 HydrophobicContact CG-CG1 4.18Å
243	M	94.8	Very high	94.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-41.2	175.5	-177.2	62.2	155	0	0	111.8	F199 F239 N240 T241 V246 G247 V279 Y285 I302 I407	F199-M243 HydrophobicContact CE2-CB 4.15Å; F199-M243 HydrophobicContact CE2-CG 4.16Å; F199-M243 HydrophobicContact CZ-CB 4.44Å; F199-M243 HydrophobicContact CZ-CG 3.97Å; F239-M243 WeakPolarHBondContact O-CB 3.42Å; F239-M243 PolarHBondContact O-N 3.19Å; N240-M243 WeakPolarHBondContact O-CB 3.45Å; N240-M243 PolarHBondContact O-N 3.44Å; T241-M243 VanDerWaalsContact C-N 3.31Å; T241-M243 PolarHBondContact O-N 3.43Å; M243-V246 PolarHBondContact O-N 2.68Å; M243-G247 PolarHBondContact O-N 2.78Å; M243-V279 HydrophobicContact SD-CB 3.8Å; M243-V279 HydrophobicContact SD-CG2 3.65Å; M243-Y285 HydrophobicContact CE-CE1 3.93Å; M243-I302 HydrophobicContact CB-CD1 4.04Å; M243-I302 HydrophobicContact CB-CG1 4.13Å; M243-I302 HydrophobicContact CB-CG2 4.34Å; M243-I302 HydrophobicContact CG-CD1 4.3Å; M243-I302 HydrophobicContact CG-CG2 4.13Å; M243-I407 HydrophobicContact CE-CG2 3.63Å; M243-I407 HydrophobicContact SD-CG2 4.21Å
244	A	93.4	Very high	93.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-43.2	174.2	0	0	0	0	0	112.5	F199 V202 S203 N240 T241 G248	F199-A244 HydrophobicContact CD2-CB 3.78Å; F199-A244 HydrophobicContact CE2-CB 3.69Å; F199-A244 HydrophobicContact CG-CB 4.45Å; F199-A244 HydrophobicContact CZ-CB 4.29Å; V202-A244 HydrophobicContact CB-CB 4.09Å; V202-A244 HydrophobicContact CG1-CB 3.86Å; S203-A244 WeakPolarHBondContact OG-CA 3.44Å; S203-A244 PolarHBondContact OG-O 2.55Å; N240-A244 PolarHBondContact O-N 3.25Å; N240-A244 VanDerWaalsContact O-N 3.15Å; T241-A244 WeakPolarHBondContact O-CB 3.37Å; T241-A244 PolarHBondContact O-N 3.01Å; A244-G248 PolarHBondContact O-N 3.14Å
245	V	95.2	Very high	93.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-44.8	178.2	176.7	0	0	0	0	111.4	I206 F226 A230 L233 T241 L242 G248 L249	I206-V245 HydrophobicContact CD1-CB 3.95Å; I206-V245 HydrophobicContact CD1-CG1 4.11Å; I206-V245 HydrophobicContact CD1-CG2 3.56Å; F226-V245 HydrophobicContact CB-CG1 4.31Å; A230-V245 HydrophobicContact CB-CB 4.45Å; A230-V245 HydrophobicContact CB-CG1 3.87Å; L233-V245 HydrophobicContact CD1-CG2 3.72Å; T241-V245 HydrophobicContact CG2-CG2 4.42Å; T241-V245 VanDerWaalsContact O-CG2 3.32Å; T241-V245 WeakPolarHBondContact O-CG2 3.48Å; T241-V245 PolarHBondContact O-N 3.29Å; L242-V245 PolarHBondContact O-N 2.86Å; V245-G248 PolarHBondContact O-N 2.87Å; V245-L249 HydrophobicContact CG1-CD1 4.19Å; V245-L249 WeakPolarHBondContact O-CG 3.42Å; V245-L249 PolarHBondContact O-N 2.66Å
246	V	94.6	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-42.9	178.6	172.6	0	0	0	0	111	L242 M243 L249 S250 F272 L275 I276 V279 I407	L242-V246 HydrophobicContact CD1-CG2 3.88Å; L242-V246 HydrophobicContact CG-CG2 4.48Å; L242-V246 WeakPolarHBondContact O-CB 3.31Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.4Å; L242-V246 PolarHBondContact O-N 2.89Å; M243-V246 PolarHBondContact O-N 2.68Å; V246-L249 PolarHBondContact O-N 3.38Å; V246-S250 WeakPolarHBondContact O-CB 3.45Å; V246-S250 PolarHBondContact O-N 3.32Å; V246-S250 PolarHBondContact O-OG 2.97Å; V246-F272 HydrophobicContact CG1-CE2 4.41Å; V246-F272 HydrophobicContact CG2-CE2 4.47Å; V246-L275 HydrophobicContact CG2-CB 4.11Å; V246-I276 HydrophobicContact CG1-CB 4.43Å; V246-I276 HydrophobicContact CG1-CG1 3.66Å; V246-V279 HydrophobicContact CB-CG2 4.17Å; V246-V279 HydrophobicContact CG1-CG2 3.81Å; V246-V279 HydrophobicContact CG2-CG2 4.49Å; V246-I407 HydrophobicContact CG1-CD1 4.1Å
247	G	89.6	Confident	93.5	Very high	18 Å²	18	13.2 Å²	13.2	19%	0.186	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-47.2	173.5	0	0	0	0	0	112.6	M243 L249 S250 N251	M243-G247 PolarHBondContact O-N 2.78Å; G247-L249 PolarHBondContact O-N 3.22Å; G247-S250 PolarHBondContact O-N 2.95Å; G247-N251 PolarHBondContact O-N 3.26Å
248	G	90.7	Very high	93.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-42.4	177.1	0	0	0	0	0	113.7	Q207 A244 V245 N251	Q207-G248 WeakPolarHBondContact CG-O 3.43Å; A244-G248 PolarHBondContact O-N 3.14Å; V245-G248 PolarHBondContact O-N 2.87Å; G248-N251 WeakPolarHBondContact O-CB 3.38Å
249	L	93.4	Very high	93.3	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-76.1	-28.1	176.7	-67.8	179.1	0	0	0	113.7	I206 V210 V223 F226 I227 V245 V246 G247 F272	I206-L249 HydrophobicContact CG2-CD2 3.67Å; I206-L249 HydrophobicContact CG2-CG 4Å; V210-L249 HydrophobicContact CG2-CD2 4.34Å; V223-L249 HydrophobicContact CG1-CD2 4.19Å; V223-L249 HydrophobicContact CG2-CD2 4.26Å; F226-L249 HydrophobicContact CB-CD1 3.95Å; F226-L249 HydrophobicContact CB-CD2 4.22Å; F226-L249 HydrophobicContact CB-CG 4.43Å; I227-L249 HydrophobicContact CG1-CD1 3.78Å; V245-L249 HydrophobicContact CG1-CD1 4.19Å; V245-L249 WeakPolarHBondContact O-CG 3.42Å; V245-L249 PolarHBondContact O-N 2.66Å; V246-L249 PolarHBondContact O-N 3.38Å; G247-L249 PolarHBondContact O-N 3.22Å; L249-F272 HydrophobicContact CB-CE1 4.42Å; L249-F272 HydrophobicContact CB-CE2 3.76Å; L249-F272 HydrophobicContact CB-CZ 3.48Å; L249-F272 VanDerWaalsContact CB-CZ 3.48Å; L249-F272 HydrophobicContact CD1-CD2 4.37Å; L249-F272 HydrophobicContact CD1-CE2 3.85Å; L249-F272 HydrophobicContact CD1-CZ 4.33Å; L249-F272 HydrophobicContact CG-CE2 4.48Å
250	S	92.4	Very high	93.1	Very high	23 Å²	23	21.6 Å²	21.6	16%	0.161	12%	0.121	C	C	.	.	H	α-helix	trans	-83	-15.9	179	-56.5	0	0	0	0	113.4	V246 G247 S255	V246-S250 WeakPolarHBondContact O-CB 3.45Å; V246-S250 PolarHBondContact O-N 3.32Å; V246-S250 PolarHBondContact O-OG 2.97Å; G247-S250 PolarHBondContact O-N 2.95Å; S250-S255 PolarHBondContact O-OG 3.3Å
251	N	90.9	Very high	93	Very high	36 Å²	36	23.8 Å²	23.8	19%	0.193	13%	0.131	C	C	.	.	S	Bend	trans	-48.1	144.2	-179.5	-177.5	-82.3	0	0	0	112.4	Q207 G247 G248 S253 I254 S255	Q207-N251 HydrophobicContact CG-CB 4.18Å; G247-N251 PolarHBondContact O-N 3.26Å; G248-N251 WeakPolarHBondContact O-CB 3.38Å; N251-S253 PolarHBondContact O-N 3.2Å; N251-S253 WeakPolarHBondContact OD1-CB 3.4Å; N251-S253 PolarHBondContact OD1-N 2.89Å; N251-S253 PolarHBondContact OD1-OG 2.95Å; N251-I254 PolarHBondContact O-N 3.29Å; N251-S255 PolarHBondContact O-N 3.49Å; N251-S255 PolarHBondContact O-OG 3.48Å; N251-S255 VanDerWaalsContact O-OG 3.09Å
252	S	89.3	Confident	92.9	Very high	63 Å²	63	28 Å²	28	44%	0.441	16%	0.16	S	C	.	.	H	α-helix	trans	-54.4	-28.4	-177.3	65.4	0	0	0	0	113.8	R256	S252-R256 WeakPolarHBondContact O-CB 3.46Å; S252-R256 WeakPolarHBondContact O-CG 3.49Å
253	S	90.3	Very high	92.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-72.1	-25.4	176.2	-57.9	0	0	0	0	113.4	N251 Y377 S380	N251-S253 PolarHBondContact O-N 3.2Å; N251-S253 WeakPolarHBondContact OD1-CB 3.4Å; N251-S253 PolarHBondContact OD1-N 2.89Å; N251-S253 PolarHBondContact OD1-OG 2.95Å; S253-Y377 WeakPolarHBondContact OG-CA 3.09Å; S253-Y377 PolarHBondContact OG-N 3.21Å; S253-S380 WeakPolarHBondContact O-CB 3.41Å; S253-S380 PolarHBondContact O-OG 2.81Å
254	I	93.4	Very high	92.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-103.1	-43.5	-178.2	-54	-55.4	0	0	0	111.3	Q207 V210 L211 V223 N251 R256 L257	Q207-I254 HydrophobicContact CB-CD1 4.22Å; Q207-I254 HydrophobicContact CB-CG1 4.24Å; Q207-I254 HydrophobicContact CG-CG1 3.99Å; V210-I254 HydrophobicContact CB-CD1 4.05Å; V210-I254 HydrophobicContact CG1-CD1 4Å; V210-I254 HydrophobicContact CG1-CG2 4.4Å; L211-I254 HydrophobicContact CD1-CD1 4.19Å; L211-I254 HydrophobicContact CD2-CD1 4.17Å; L211-I254 HydrophobicContact CG-CD1 3.83Å; V223-I254 HydrophobicContact CG2-CG2 4.49Å; N251-I254 PolarHBondContact O-N 3.29Å; I254-R256 PolarHBondContact O-N 3.37Å; I254-L257 HydrophobicContact CD1-CD1 4.33Å; I254-L257 WeakPolarHBondContact O-CB 3.35Å; I254-L257 PolarHBondContact O-N 2.96Å
255	S	91.8	Very high	92.9	Very high	47 Å²	47	35.2 Å²	35.2	33%	0.329	20%	0.2	S	C	.	.	H	α-helix	trans	-65.5	-19.2	-179.6	60.7	0	0	0	0	113.9	S250 N251 K258	S250-S255 PolarHBondContact O-OG 3.3Å; N251-S255 PolarHBondContact O-N 3.49Å; N251-S255 PolarHBondContact O-OG 3.48Å; N251-S255 VanDerWaalsContact O-OG 3.09Å; S255-K258 PolarHBondContact O-NZ 3.38Å
256	R	93.6	Very high	92.9	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.166	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17	172.5	71.3	170.4	-69.2	-74.6	-11.1	115.3	S252 I254 K258 S380 E384	S252-R256 WeakPolarHBondContact O-CB 3.46Å; S252-R256 WeakPolarHBondContact O-CG 3.49Å; I254-R256 PolarHBondContact O-N 3.37Å; R256-K258 VanDerWaalsContact C-N 3.29Å; R256-K258 PolarHBondContact O-N 3.1Å; R256-S380 VanDerWaalsContact CD-OG 3.28Å; R256-S380 WeakPolarHBondContact CD-OG 3.46Å; R256-S380 WeakPolarHBondContact CG-OG 3.35Å; R256-S380 PolarHBondContact NH1-O 3.15Å; R256-S380 PolarHBondContact NH1-OG 3.22Å; R256-E384 VanDerWaalsContact CZ-O 3.3Å; R256-E384 PolarHBondContact NH1-O 2.85Å; R256-E384 PolarHBondContact NH2-O 3.08Å
257	L	92.9	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.			trans	-76.7	71.4	-172.4	-63.2	175.9	0	0	0	111.6	V210 L211 I254 D259 T260 Q261 S380 E384	V210-L257 HydrophobicContact CG1-CD1 4.44Å; L211-L257 HydrophobicContact CD2-CD1 3.98Å; I254-L257 HydrophobicContact CD1-CD1 4.33Å; I254-L257 WeakPolarHBondContact O-CB 3.35Å; I254-L257 PolarHBondContact O-N 2.96Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 2.9Å; L257-T260 WeakPolarHBondContact O-CB 3.44Å; L257-T260 PolarHBondContact O-N 3.44Å; L257-Q261 VanDerWaalsContact O-CG 3.25Å; L257-Q261 WeakPolarHBondContact O-CG 3.41Å; L257-Q261 PolarHBondContact O-N 3.18Å; L257-S380 WeakPolarHBondContact CD2-OG 3.21Å; L257-E384 WeakPolarHBondContact CA-OE2 3.39Å; L257-E384 HydrophobicContact CD2-CB 3.83Å; L257-E384 HydrophobicContact CD2-CG 3.88Å
258	K	93.9	Very high	93.2	Very high	138 Å²	138	45.4 Å²	45.4	60%	0.6	26%	0.257	S	S	*	.	H	α-helix	trans	-61.9	-33.7	-170.7	-60.8	-46.8	-177.3	-164	0	113.8	S255 R256 Q261 S262 E384	S255-K258 PolarHBondContact O-NZ 3.38Å; R256-K258 VanDerWaalsContact C-N 3.29Å; R256-K258 PolarHBondContact O-N 3.1Å; K258-Q261 PolarHBondContact O-N 2.96Å; K258-S262 PolarHBondContact O-N 2.95Å; K258-S262 VanDerWaalsContact O-N 3.07Å; K258-E384 PolarHBondContact N-OE2 3.45Å
259	D	92.6	Very high	93.3	Very high	76 Å²	76	47.3 Å²	47.3	41%	0.406	27%	0.267	S	S	.	.	H	α-helix	trans	-71.3	-41.4	178.3	-59.9	-18.5	0	0	0	109.7	A216 L257 S262 H263 E384	A216-D259 HydrophobicContact CB-CB 4.38Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-D259 PolarHBondContact O-N 2.9Å; D259-S262 PolarHBondContact O-N 3.09Å; D259-S262 PolarHBondContact O-OG 3.07Å; D259-H263 PolarHBondContact O-CD2 3.38Å; D259-H263 VanDerWaalsContact O-CD2 3.31Å; D259-E384 PolarHBondContact N-OE2 3.09Å
260	T	94.4	Very high	93.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-48.1	169.3	-58.9	0	0	0	0	112.4	R219 A220 L257 S262 H263 E384	R219-T260 HydrophobicContact CB-CG2 3.53Å; R219-T260 PolarHBondContact NE-OG1 3.25Å; R219-T260 PolarHBondContact NH2-OG1 2.95Å; A220-T260 HydrophobicContact CB-CG2 4.15Å; L257-T260 WeakPolarHBondContact O-CB 3.44Å; L257-T260 PolarHBondContact O-N 3.44Å; T260-S262 VanDerWaalsContact C-N 3.26Å; T260-S262 PolarHBondContact O-N 2.92Å; T260-H263 PolarHBondContact O-N 3.45Å; T260-E384 WeakPolarHBondContact CB-OE1 3.23Å; T260-E384 PolarHBondContact N-OE1 3.29Å; T260-E384 VanDerWaalsContact N-OE1 3.08Å; T260-E384 PolarHBondContact OG1-OE1 2.93Å
261	Q	93.2	Very high	93.6	Very high	46 Å²	46	54.7 Å²	54.7	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-33.6	-178.3	-67.3	-70.1	-25.7	0	0	112.3	L257 K258 H263 I264	L257-Q261 VanDerWaalsContact O-CG 3.25Å; L257-Q261 WeakPolarHBondContact O-CG 3.41Å; L257-Q261 PolarHBondContact O-N 3.18Å; K258-Q261 PolarHBondContact O-N 2.96Å; Q261-H263 PolarHBondContact O-N 3.32Å; Q261-I264 PolarHBondContact O-N 2.87Å
262	S	94.3	Very high	93.9	Very high	87 Å²	87	53.9 Å²	53.9	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-20	175.6	80	0	0	0	0	114.8	K258 D259 T260	K258-S262 PolarHBondContact O-N 2.95Å; K258-S262 VanDerWaalsContact O-N 3.07Å; D259-S262 PolarHBondContact O-N 3.09Å; D259-S262 PolarHBondContact O-OG 3.07Å; T260-S262 VanDerWaalsContact C-N 3.26Å; T260-S262 PolarHBondContact O-N 2.92Å
263	H	95.3	Very high	94.2	Very high	92 Å²	92	55.4 Å²	55.4	43%	0.426	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.1	178.3	-73.1	-59.8	0	0	0	113.3	A220 D259 T260 Q261	A220-H263 HydrophobicContact CB-CB 3.54Å; D259-H263 PolarHBondContact O-CD2 3.38Å; D259-H263 VanDerWaalsContact O-CD2 3.31Å; T260-H263 PolarHBondContact O-N 3.45Å; Q261-H263 PolarHBondContact O-N 3.32Å
264	I	94.8	Very high	94.5	Very high	11 Å²	11	59.7 Å²	59.7	6%	0.056	32%	0.32	C	S	.	.	S	Bend	trans	-88.1	131.6	176.4	-57.1	172.1	0	0	0	108.9	A220 V223 Q261 T268 N269	A220-I264 HydrophobicContact CB-CG1 3.85Å; V223-I264 HydrophobicContact CB-CD1 4.03Å; V223-I264 HydrophobicContact CG1-CD1 3.53Å; Q261-I264 PolarHBondContact O-N 2.87Å; I264-T268 HydrophobicContact CG2-CG2 3.77Å; I264-N269 WeakPolarHBondContact CG2-OD1 3.47Å; I264-N269 PolarHBondContact O-ND2 3.27Å
265	S	95.3	Very high	94.6	Very high	52 Å²	52	60 Å²	60	36%	0.364	32%	0.321	S	S	.	.			trans	-63.7	151.4	-179.5	66.6	0	0	0	0	112.5	E267 T268 N269	S265-E267 VanDerWaalsContact C-N 3.25Å; S265-E267 WeakPolarHBondContact CB-OE2 3.28Å; S265-E267 PolarHBondContact O-N 3Å; S265-T268 PolarHBondContact O-N 3.25Å; S265-T268 WeakPolarHBondContact OG-CB 3.48Å; S265-T268 PolarHBondContact OG-N 3.34Å; S265-T268 PolarHBondContact OG-OG1 3.16Å; S265-T268 VanDerWaalsContact OG-OG1 3.08Å; S265-N269 PolarHBondContact O-N 3.4Å; S265-N269 PolarHBondContact O-ND2 2.79Å
266	A	94.6	Very high	94.7	Very high	74 Å²	74	59.5 Å²	59.5	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-61.6	-34.9	-179.1	0	0	0	0	0	112.2	K270	A266-K270 WeakPolarHBondContact O-CB 3.41Å; A266-K270 PolarHBondContact O-N 3.46Å
267	E	95.4	Very high	94.7	Very high	135 Å²	135	62.9 Å²	62.9	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-65.3	-45.4	176.5	-58.1	75.1	-165.2	0	0	111.3	S265 K270 V271	S265-E267 VanDerWaalsContact C-N 3.25Å; S265-E267 WeakPolarHBondContact CB-OE2 3.28Å; S265-E267 PolarHBondContact O-N 3Å; E267-K270 PolarHBondContact O-N 2.98Å; E267-V271 WeakPolarHBondContact O-CG2 3.34Å; E267-V271 PolarHBondContact O-N 3.45Å
268	T	94.3	Very high	94.8	Very high	23 Å²	23	64.1 Å²	64.1	14%	0.141	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-38.8	178.4	-66.7	0	0	0	0	111.4	I227 I264 S265 V271 F272	I227-T268 HydrophobicContact CB-CG2 4.11Å; I227-T268 HydrophobicContact CD1-CG2 3.55Å; I227-T268 HydrophobicContact CG1-CG2 4.43Å; I227-T268 HydrophobicContact CG2-CG2 3.97Å; I264-T268 HydrophobicContact CG2-CG2 3.77Å; S265-T268 PolarHBondContact O-N 3.25Å; S265-T268 WeakPolarHBondContact OG-CB 3.48Å; S265-T268 PolarHBondContact OG-N 3.34Å; S265-T268 PolarHBondContact OG-OG1 3.16Å; S265-T268 VanDerWaalsContact OG-OG1 3.08Å; T268-V271 PolarHBondContact O-N 3.35Å; T268-F272 PolarHBondContact O-N 2.67Å
269	N	93.3	Very high	94.7	Very high	40 Å²	40	57.6 Å²	57.6	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-40.8	172	-80.6	-40.6	0	0	0	112.5	I264 S265 F272 N273	I264-N269 WeakPolarHBondContact CG2-OD1 3.47Å; I264-N269 PolarHBondContact O-ND2 3.27Å; S265-N269 PolarHBondContact O-N 3.4Å; S265-N269 PolarHBondContact O-ND2 2.79Å; N269-F272 PolarHBondContact O-N 2.86Å; N269-N273 VanDerWaalsContact O-CG 3.31Å; N269-N273 PolarHBondContact O-N 2.89Å; N269-N273 PolarHBondContact O-ND2 3.47Å
270	K	96.4	Very high	94.5	Very high	141 Å²	141	54.6 Å²	54.6	61%	0.613	30%	0.295	S	S	*	.	H	α-helix	trans	-61.6	-44.6	174.5	-177.1	177.8	179.4	178.4	0	111.7	A266 E267 F272 N273 N274	A266-K270 WeakPolarHBondContact O-CB 3.41Å; A266-K270 PolarHBondContact O-N 3.46Å; E267-K270 PolarHBondContact O-N 2.98Å; K270-F272 VanDerWaalsContact C-N 3.34Å; K270-F272 PolarHBondContact O-N 3.43Å; K270-N273 PolarHBondContact O-N 2.85Å; K270-N274 VanDerWaalsContact O-CG 3.31Å; K270-N274 PolarHBondContact O-N 3.43Å; K270-N274 VanDerWaalsContact O-N 3.1Å; K270-N274 PolarHBondContact O-OD1 3.42Å
271	V	96.8	Very high	94	Very high	40 Å²	40	55.7 Å²	55.7	24%	0.242	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-47.5	173.5	165.3	0	0	0	0	111	I227 Q231 E267 T268 N274 L275	I227-V271 HydrophobicContact CG2-CB 4.33Å; I227-V271 HydrophobicContact CG2-CG1 3.69Å; Q231-V271 VanDerWaalsContact CD-CG1 3.41Å; Q231-V271 HydrophobicContact CG-CG1 3.56Å; E267-V271 WeakPolarHBondContact O-CG2 3.34Å; E267-V271 PolarHBondContact O-N 3.45Å; T268-V271 PolarHBondContact O-N 3.35Å; V271-N274 PolarHBondContact O-N 3.02Å; V271-L275 HydrophobicContact CG1-CD1 4.08Å; V271-L275 WeakPolarHBondContact O-CG 3.5Å; V271-L275 PolarHBondContact O-N 3.24Å; V271-L275 VanDerWaalsContact O-N 3.07Å
272	F	96.1	Very high	93.6	Very high	18 Å²	18	56.7 Å²	56.7	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-41.7	-178.4	-174.9	-126.8	0	0	0	112.8	I227 V246 L249 T268 N269 K270 N274 L275 I276	I227-F272 HydrophobicContact CD1-CB 3.82Å; I227-F272 HydrophobicContact CD1-CD2 4.27Å; I227-F272 HydrophobicContact CD1-CG 3.98Å; I227-F272 HydrophobicContact CG1-CB 4.07Å; I227-F272 HydrophobicContact CG1-CD2 3.85Å; I227-F272 HydrophobicContact CG1-CG 4.06Å; I227-F272 HydrophobicContact CG2-CB 4.22Å; V246-F272 HydrophobicContact CG1-CE2 4.41Å; V246-F272 HydrophobicContact CG2-CE2 4.47Å; L249-F272 HydrophobicContact CB-CE1 4.42Å; L249-F272 HydrophobicContact CB-CE2 3.76Å; L249-F272 HydrophobicContact CB-CZ 3.48Å; L249-F272 VanDerWaalsContact CB-CZ 3.48Å; L249-F272 HydrophobicContact CD1-CD2 4.37Å; L249-F272 HydrophobicContact CD1-CE2 3.85Å; L249-F272 HydrophobicContact CD1-CZ 4.33Å; L249-F272 HydrophobicContact CG-CE2 4.48Å; T268-F272 PolarHBondContact O-N 2.67Å; N269-F272 PolarHBondContact O-N 2.86Å; K270-F272 VanDerWaalsContact C-N 3.34Å; K270-F272 PolarHBondContact O-N 3.43Å; F272-N274 VanDerWaalsContact C-N 3.35Å; F272-N274 PolarHBondContact O-N 3.37Å; F272-L275 WeakPolarHBondContact O-CB 3.34Å; F272-L275 PolarHBondContact O-N 2.83Å; F272-L275 VanDerWaalsContact O-N 3.09Å; F272-I276 HydrophobicContact CD1-CD1 3.9Å; F272-I276 HydrophobicContact CE1-CD1 3.63Å; F272-I276 HydrophobicContact CE1-CG1 4.45Å; F272-I276 HydrophobicContact CE2-CD1 4.36Å; F272-I276 HydrophobicContact CE2-CG1 4.34Å; F272-I276 HydrophobicContact CG-CD1 4.38Å; F272-I276 HydrophobicContact CZ-CD1 3.87Å; F272-I276 HydrophobicContact CZ-CG1 4.25Å; F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 3.01Å
273	N	95.5	Very high	93.2	Very high	95 Å²	95	55.5 Å²	55.5	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-42	174.6	-69.5	-29.7	0	0	0	112.2	N269 K270 L275 I276 E277	N269-N273 VanDerWaalsContact O-CG 3.31Å; N269-N273 PolarHBondContact O-N 2.89Å; N269-N273 PolarHBondContact O-ND2 3.47Å; K270-N273 PolarHBondContact O-N 2.85Å; N273-L275 VanDerWaalsContact C-N 3.27Å; N273-L275 PolarHBondContact O-N 3.25Å; N273-I276 PolarHBondContact O-N 3.25Å; N273-E277 PolarHBondContact O-N 3.4Å
274	N	96.9	Very high	92.8	Very high	92 Å²	92	54.5 Å²	54.5	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-33.4	174.6	-67.3	9.3	0	0	0	112.4	K270 V271 F272 L278	K270-N274 VanDerWaalsContact O-CG 3.31Å; K270-N274 PolarHBondContact O-N 3.43Å; K270-N274 VanDerWaalsContact O-N 3.1Å; K270-N274 PolarHBondContact O-OD1 3.42Å; V271-N274 PolarHBondContact O-N 3.02Å; F272-N274 VanDerWaalsContact C-N 3.35Å; F272-N274 PolarHBondContact O-N 3.37Å; N274-L278 WeakPolarHBondContact O-CB 3.37Å; N274-L278 PolarHBondContact O-N 3.07Å; N274-L278 VanDerWaalsContact O-N 3.11Å
275	L	95.6	Very high	92.8	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-72.9	-36.7	176.1	-66.5	171.7	0	0	0	111.9	A230 Q231 L234 L242 V246 V271 F272 N273 L278 V279	A230-L275 HydrophobicContact CB-CD1 3.73Å; Q231-L275 HydrophobicContact CG-CD1 4.27Å; L234-L275 HydrophobicContact CD2-CD2 3.67Å; L242-L275 HydrophobicContact CD1-CD2 4.18Å; V246-L275 HydrophobicContact CG2-CB 4.11Å; V271-L275 HydrophobicContact CG1-CD1 4.08Å; V271-L275 WeakPolarHBondContact O-CG 3.5Å; V271-L275 PolarHBondContact O-N 3.24Å; V271-L275 VanDerWaalsContact O-N 3.07Å; F272-L275 WeakPolarHBondContact O-CB 3.34Å; F272-L275 PolarHBondContact O-N 2.83Å; F272-L275 VanDerWaalsContact O-N 3.09Å; N273-L275 VanDerWaalsContact C-N 3.27Å; N273-L275 PolarHBondContact O-N 3.25Å; L275-L278 PolarHBondContact O-N 2.91Å; L275-V279 WeakPolarHBondContact O-CG2 3.46Å; L275-V279 PolarHBondContact O-N 3.34Å
276	I	93.3	Very high	92.7	Very high	37 Å²	37	54.4 Å²	54.4	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-48	171	-67.4	164.1	0	0	0	110.4	V246 F272 N273 L278 V279 T280	V246-I276 HydrophobicContact CG1-CB 4.43Å; V246-I276 HydrophobicContact CG1-CG1 3.66Å; F272-I276 HydrophobicContact CD1-CD1 3.9Å; F272-I276 HydrophobicContact CE1-CD1 3.63Å; F272-I276 HydrophobicContact CE1-CG1 4.45Å; F272-I276 HydrophobicContact CE2-CD1 4.36Å; F272-I276 HydrophobicContact CE2-CG1 4.34Å; F272-I276 HydrophobicContact CG-CD1 4.38Å; F272-I276 HydrophobicContact CZ-CD1 3.87Å; F272-I276 HydrophobicContact CZ-CG1 4.25Å; F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 3.01Å; N273-I276 PolarHBondContact O-N 3.25Å; I276-L278 PolarHBondContact O-N 2.66Å; I276-V279 PolarHBondContact O-N 3.49Å; I276-T280 PolarHBondContact O-N 3.25Å
277	E	94.4	Very high	92.7	Very high	115 Å²	115	55 Å²	55	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-32.3	178.7	-171.9	-179.1	178.5	0	0	112.5	N273 T280	N273-E277 PolarHBondContact O-N 3.4Å; E277-T280 WeakPolarHBondContact O-CG2 3.14Å
278	L	94.5	Very high	92.7	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-38.3	176.3	177.5	62.1	0	0	0	113.2	L234 F239 L242 N274 L275 I276 Y288 R291	L234-L278 HydrophobicContact CD1-CD2 3.57Å; L234-L278 HydrophobicContact CD2-CD2 3.75Å; L234-L278 HydrophobicContact CG-CD2 4.32Å; F239-L278 HydrophobicContact CE1-CD2 4.5Å; L242-L278 HydrophobicContact CD2-CD2 4.23Å; N274-L278 WeakPolarHBondContact O-CB 3.37Å; N274-L278 PolarHBondContact O-N 3.07Å; N274-L278 VanDerWaalsContact O-N 3.11Å; L275-L278 PolarHBondContact O-N 2.91Å; I276-L278 PolarHBondContact O-N 2.66Å; L278-Y288 WeakPolarHBondContact O-CB 3.46Å; L278-Y288 PolarHBondContact O-N 2.89Å; L278-Y288 VanDerWaalsContact O-N 3.14Å; L278-R291 HydrophobicContact CD1-CB 3.77Å; L278-R291 HydrophobicContact CD1-CG 3.95Å
279	V	91.6	Very high	92.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-104.9	6.8	-174.4	-53.5	0	0	0	0	114.2	L242 M243 V246 L275 I276 Y285 I302	L242-V279 HydrophobicContact CD2-CG1 4.05Å; L242-V279 HydrophobicContact CG-CG1 4.18Å; M243-V279 HydrophobicContact SD-CB 3.8Å; M243-V279 HydrophobicContact SD-CG2 3.65Å; V246-V279 HydrophobicContact CB-CG2 4.17Å; V246-V279 HydrophobicContact CG1-CG2 3.81Å; V246-V279 HydrophobicContact CG2-CG2 4.49Å; L275-V279 WeakPolarHBondContact O-CG2 3.46Å; L275-V279 PolarHBondContact O-N 3.34Å; I276-V279 PolarHBondContact O-N 3.49Å; V279-Y285 WeakPolarHBondContact O-CD1 3.46Å; V279-Y285 WeakPolarHBondContact O-CE1 3.49Å; V279-I302 HydrophobicContact CB-CD1 4.43Å; V279-I302 HydrophobicContact CG1-CD1 4.39Å
280	T	88.1	Confident	92.8	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.086	29%	0.294	C	S	.	.			trans	-57.9	147.9	178.8	-172.7	0	0	0	0	112.9	I276 E277 C282 Y285	I276-T280 PolarHBondContact O-N 3.25Å; E277-T280 WeakPolarHBondContact O-CG2 3.14Å; T280-C282 HydrophobicContact CG2-CB 3.82Å; T280-C282 PolarHBondContact O-N 3.12Å; T280-C282 PolarHBondContact OG1-N 3.38Å; T280-C282 PolarHBondContact OG1-SG 3.33Å; T280-Y285 WeakPolarHBondContact O-CA 3.46Å; T280-Y285 VanDerWaalsContact O-CD1 3.23Å; T280-Y285 WeakPolarHBondContact O-CD1 3.46Å
281	S	85.3	Confident	92.8	Very high	24 Å²	24	51.7 Å²	51.7	17%	0.168	28%	0.279	C	S	.	.			trans	-71.9	-11.6	172.2	60.9	0	0	0	0	113.6	G283 N284 Y285 M406 D408	S281-G283 PolarHBondContact O-N 3.36Å; S281-N284 WeakPolarHBondContact O-CA 3.32Å; S281-N284 PolarHBondContact O-N 3.19Å; S281-Y285 PolarHBondContact O-N 2.88Å; S281-M406 PolarHBondContact N-O 2.95Å; S281-D408 VanDerWaalsContact CB-CG 3.46Å; S281-D408 VanDerWaalsContact CB-OD1 3.28Å; S281-D408 WeakPolarHBondContact CB-OD1 3.28Å; S281-D408 WeakPolarHBondContact CB-OD2 3.49Å; S281-D408 PolarHBondContact OG-OD1 3.23Å
282	C	84	Confident	92.7	Very high	67 Å²	67	50.1 Å²	50.1	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-54.2	130.5	-179.3	-60.7	0	0	0	0	113.3	T280 N284 Y285 S286	T280-C282 HydrophobicContact CG2-CB 3.82Å; T280-C282 PolarHBondContact O-N 3.12Å; T280-C282 PolarHBondContact OG1-N 3.38Å; T280-C282 PolarHBondContact OG1-SG 3.33Å; C282-N284 VanDerWaalsContact C-N 3.31Å; C282-N284 PolarHBondContact O-N 2.96Å; C282-Y285 PolarHBondContact O-N 2.96Å; C282-S286 PolarHBondContact O-OG 3.08Å
283	G	85	Confident	92.6	Very high	62 Å²	62	53.4 Å²	53.4	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	62.7	35.6	-175.6	0	0	0	0	0	113.2	S281 Y285 S286	S281-G283 PolarHBondContact O-N 3.36Å; G283-Y285 PolarHBondContact O-N 3.24Å; G283-S286 WeakPolarHBondContact O-CB 3.48Å; G283-S286 PolarHBondContact O-N 3.46Å
284	N	88.5	Confident	92.6	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	51.3	54	-174	-169.6	27.7	0	0	0	112.7	S281 C282 S286 R289	S281-N284 WeakPolarHBondContact O-CA 3.32Å; S281-N284 PolarHBondContact O-N 3.19Å; C282-N284 VanDerWaalsContact C-N 3.31Å; C282-N284 PolarHBondContact O-N 2.96Å; N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 3.05Å; N284-R289 PolarHBondContact ND2-NH2 3.42Å; N284-R289 VanDerWaalsContact ND2-NH2 3.15Å; N284-R289 PolarHBondContact O-NE 3.49Å
285	Y	93.2	Very high	92.4	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	61.3	31.5	-179.5	-56.5	-90.2	0	0	0	114.4	M243 V279 T280 S281 C282 G283 Q287 Y288 R289 V305	M243-Y285 HydrophobicContact CE-CE1 3.93Å; V279-Y285 WeakPolarHBondContact O-CD1 3.46Å; V279-Y285 WeakPolarHBondContact O-CE1 3.49Å; T280-Y285 WeakPolarHBondContact O-CA 3.46Å; T280-Y285 VanDerWaalsContact O-CD1 3.23Å; T280-Y285 WeakPolarHBondContact O-CD1 3.46Å; S281-Y285 PolarHBondContact O-N 2.88Å; C282-Y285 PolarHBondContact O-N 2.96Å; G283-Y285 PolarHBondContact O-N 3.24Å; Y285-Q287 VanDerWaalsContact C-N 3.35Å; Y285-Q287 PolarHBondContact O-N 3.24Å; Y285-Y288 WeakPolarHBondContact O-CB 3.39Å; Y285-Y288 PolarHBondContact O-N 3.24Å; Y285-R289 WeakPolarHBondContact O-CG 3.43Å; Y285-R289 PolarHBondContact O-N 3.09Å; Y285-V305 HydrophobicContact CD1-CG2 3.98Å; Y285-V305 HydrophobicContact CD2-CG1 4.08Å; Y285-V305 HydrophobicContact CD2-CG2 3.79Å; Y285-V305 HydrophobicContact CE1-CG2 4.17Å; Y285-V305 HydrophobicContact CE2-CG2 4Å; Y285-V305 HydrophobicContact CG-CG1 4.33Å; Y285-V305 HydrophobicContact CG-CG2 3.79Å
286	S	93.7	Very high	92.1	Very high	57 Å²	57	54.8 Å²	54.8	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-48.4	-46.4	-177.1	54.6	0	0	0	0	114.9	C282 G283 N284 R289 K290	C282-S286 PolarHBondContact O-OG 3.08Å; G283-S286 WeakPolarHBondContact O-CB 3.48Å; G283-S286 PolarHBondContact O-N 3.46Å; N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 3.05Å; S286-R289 PolarHBondContact O-N 3Å; S286-K290 WeakPolarHBondContact O-CB 3.45Å; S286-K290 PolarHBondContact O-N 3.11Å
287	Q	94.5	Very high	91.8	Very high	85 Å²	85	55.8 Å²	55.8	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-67	-45.2	-179.9	-62.1	-67.8	13.4	0	0	112	Y285 K290 R291	Y285-Q287 VanDerWaalsContact C-N 3.35Å; Y285-Q287 PolarHBondContact O-N 3.24Å; Q287-K290 PolarHBondContact O-N 3.35Å; Q287-R291 WeakPolarHBondContact O-CB 3.07Å; Q287-R291 PolarHBondContact O-N 3.42Å
288	Y	95.8	Very high	91.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-51.2	172	155.3	-104.9	0	0	0	111.2	F239 L278 Y285 K290 R291 F292 P301 I302 V305	F239-Y288 HydrophobicContact CB-CD2 4.03Å; F239-Y288 HydrophobicContact CB-CE2 3.64Å; F239-Y288 AromaticContact CD1-CD2 3.92Å; F239-Y288 HydrophobicContact CD1-CD2 3.92Å; F239-Y288 HydrophobicContact CD1-CE2 4.2Å; F239-Y288 HydrophobicContact CD2-CE2 4.29Å; F239-Y288 AromaticContact CG-CD2 3.99Å; F239-Y288 HydrophobicContact CG-CD2 3.99Å; F239-Y288 AromaticContact CG-CE2 3.79Å; F239-Y288 HydrophobicContact CG-CE2 3.79Å; L278-Y288 WeakPolarHBondContact O-CB 3.46Å; L278-Y288 PolarHBondContact O-N 2.89Å; L278-Y288 VanDerWaalsContact O-N 3.14Å; Y285-Y288 WeakPolarHBondContact O-CB 3.39Å; Y285-Y288 PolarHBondContact O-N 3.24Å; Y288-K290 PolarHBondContact O-N 3.34Å; Y288-R291 PolarHBondContact O-N 2.97Å; Y288-R291 VanDerWaalsContact O-N 3.13Å; Y288-F292 HydrophobicContact CD2-CB 4.39Å; Y288-F292 HydrophobicContact CE2-CB 4.05Å; Y288-F292 HydrophobicContact CE2-CD2 4.22Å; Y288-F292 HydrophobicContact CE2-CG 4.21Å; Y288-F292 WeakPolarHBondContact O-CB 3.28Å; Y288-F292 PolarHBondContact O-N 3.4Å; Y288-P301 WeakPolarHBondContact OH-CA 3.26Å; Y288-P301 VanDerWaalsContact OH-CB 3.27Å; Y288-P301 WeakPolarHBondContact OH-CB 3.2Å; Y288-I302 HydrophobicContact CD1-CD1 4.4Å; Y288-I302 HydrophobicContact CD2-CD1 3.72Å; Y288-I302 HydrophobicContact CD2-CG1 4.14Å; Y288-I302 HydrophobicContact CE2-CB 4.33Å; Y288-I302 HydrophobicContact CE2-CD1 3.9Å; Y288-I302 HydrophobicContact CE2-CG1 3.79Å; Y288-I302 HydrophobicContact CG-CD1 3.98Å; Y288-I302 PolarHBondContact OH-N 3.24Å; Y288-V305 HydrophobicContact CD1-CG1 4.38Å; Y288-V305 HydrophobicContact CD1-CG2 4.38Å; Y288-V305 HydrophobicContact CE1-CB 4.09Å; Y288-V305 HydrophobicContact CE1-CG1 3.98Å; Y288-V305 HydrophobicContact CE1-CG2 4.14Å
289	R	95.2	Very high	91.7	Very high	71 Å²	71	52.6 Å²	52.6	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-44.9	-178.1	-70.3	178.1	-170.3	-87.4	7	111.9	N284 Y285 S286 F292 S293 V305 D309	N284-R289 PolarHBondContact ND2-NH2 3.42Å; N284-R289 VanDerWaalsContact ND2-NH2 3.15Å; N284-R289 PolarHBondContact O-NE 3.49Å; Y285-R289 WeakPolarHBondContact O-CG 3.43Å; Y285-R289 PolarHBondContact O-N 3.09Å; S286-R289 PolarHBondContact O-N 3Å; R289-F292 PolarHBondContact O-N 3.02Å; R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 PolarHBondContact O-OG 3.46Å; R289-V305 VanDerWaalsContact NH2-CG1 3.26Å; R289-D309 IonicContact CZ-OD1 2.71Å; R289-D309 IonicContact CZ-OD2 3.46Å; R289-D309 VanDerWaalsContact CZ-OD2 3.27Å; R289-D309 IonicContact NH1-OD1 3.93Å; R289-D309 IonicContact NH1-OD2 2.85Å; R289-D309 PolarHBondContact NH1-OD2 3.37Å; R289-D309 VanDerWaalsContact NH2-CG 3.26Å; R289-D309 IonicContact NH2-OD1 3.89Å; R289-D309 PolarHBondContact NH2-OD1 2.91Å; R289-D309 IonicContact NH2-OD2 3.57Å; R289-D309 PolarHBondContact NH2-OD2 3.34Å
290	K	95.6	Very high	91.9	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-49.5	173.8	-179.8	-177.4	172.2	-175.2	0	111.2	S286 Q287 Y288 F292 S293 E294	S286-K290 WeakPolarHBondContact O-CB 3.45Å; S286-K290 PolarHBondContact O-N 3.11Å; Q287-K290 PolarHBondContact O-N 3.35Å; Y288-K290 PolarHBondContact O-N 3.34Å; K290-F292 PolarHBondContact O-N 3.44Å; K290-S293 PolarHBondContact O-N 3.14Å; K290-S293 PolarHBondContact O-OG 3.08Å; K290-E294 WeakPolarHBondContact CE-OE1 3.33Å; K290-E294 WeakPolarHBondContact O-CG 3.17Å; K290-E294 PolarHBondContact O-N 2.87Å
291	R	95.8	Very high	92.3	Very high	79 Å²	79	52 Å²	52	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-28.5	-178.2	-173.5	60.8	-171.6	80.7	2.1	112.8	F239 L278 Q287 Y288 C295	F239-R291 HydrophobicContact CE1-CB 4.49Å; F239-R291 HydrophobicContact CE1-CG 3.94Å; F239-R291 HydrophobicContact CZ-CG 4.04Å; L278-R291 HydrophobicContact CD1-CB 3.77Å; L278-R291 HydrophobicContact CD1-CG 3.95Å; Q287-R291 WeakPolarHBondContact O-CB 3.07Å; Q287-R291 PolarHBondContact O-N 3.42Å; Y288-R291 PolarHBondContact O-N 2.97Å; Y288-R291 VanDerWaalsContact O-N 3.13Å; R291-C295 PolarHBondContact NH1-SG 3.06Å; R291-C295 PolarHBondContact O-SG 2.83Å
292	F	95	Very high	92.7	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-80.3	-28.3	178.8	-176.3	-103.8	0	0	0	113.7	F239 Y288 R289 K290 C295 R299 P301 H306 I346	F239-F292 AromaticContact CD2-CD2 3.76Å; F239-F292 HydrophobicContact CD2-CD2 3.76Å; F239-F292 HydrophobicContact CD2-CE2 4.4Å; F239-F292 AromaticContact CE2-CD2 3.8Å; F239-F292 HydrophobicContact CE2-CD2 3.8Å; Y288-F292 HydrophobicContact CD2-CB 4.39Å; Y288-F292 HydrophobicContact CE2-CB 4.05Å; Y288-F292 HydrophobicContact CE2-CD2 4.22Å; Y288-F292 HydrophobicContact CE2-CG 4.21Å; Y288-F292 WeakPolarHBondContact O-CB 3.28Å; Y288-F292 PolarHBondContact O-N 3.4Å; R289-F292 PolarHBondContact O-N 3.02Å; K290-F292 PolarHBondContact O-N 3.44Å; F292-C295 WeakPolarHBondContact O-CB 3.48Å; F292-R299 HydrophobicContact CD2-CB 4.43Å; F292-R299 HydrophobicContact CE2-CB 3.89Å; F292-R299 HydrophobicContact CE2-CG 3.76Å; F292-R299 HydrophobicContact CZ-CG 4Å; F292-R299 PolarHBondContact O-NH1 2.94Å; F292-R299 VanDerWaalsContact O-NH1 3.14Å; F292-P301 HydrophobicContact CE1-CB 4.38Å; F292-P301 HydrophobicContact CE2-CB 3.81Å; F292-P301 HydrophobicContact CZ-CB 3.68Å; F292-P301 HydrophobicContact CZ-CG 4.37Å; F292-H306 AromaticContact CE1-NE2 3.62Å; F292-I346 HydrophobicContact CZ-CD1 3.83Å
293	S	93.6	Very high	93.2	Very high	88 Å²	88	47.8 Å²	47.8	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-78.6	-26.8	170.9	64.5	0	0	0	0	112.7	R289 K290 C295	R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 PolarHBondContact O-OG 3.46Å; K290-S293 PolarHBondContact O-N 3.14Å; K290-S293 PolarHBondContact O-OG 3.08Å; S293-C295 PolarHBondContact O-N 3.14Å
294	E	94.4	Very high	93.2	Very high	113 Å²	113	45 Å²	45	53%	0.528	25%	0.247	S	C	.	.	S	Bend	trans	-72.9	-8.3	170.6	-69.6	168.7	177.4	0	0	113.7	K290	K290-E294 WeakPolarHBondContact CE-OE1 3.33Å; K290-E294 WeakPolarHBondContact O-CG 3.17Å; K290-E294 PolarHBondContact O-N 2.87Å
295	C	92.9	Very high	93.3	Very high	14 Å²	14	41.8 Å²	41.8	10%	0.095	23%	0.23	C	C	.	.			trans	-80.5	144.4	-179	-82.2	0	0	0	0	113.4	Q237 R291 F292 S293 R299	Q237-C295 PolarHBondContact OE1-SG 3.34Å; R291-C295 PolarHBondContact NH1-SG 3.06Å; R291-C295 PolarHBondContact O-SG 2.83Å; F292-C295 WeakPolarHBondContact O-CB 3.48Å; S293-C295 PolarHBondContact O-N 3.14Å; C295-R299 HydrophobicContact CB-CB 3.89Å; C295-R299 HydrophobicContact CB-CG 4.48Å
296	S	89.1	Confident	93.2	Very high	96 Å²	96	42.2 Å²	42.2	67%	0.671	23%	0.232	S	C	*	.			trans	-134.9	143.1	178.2	64.2	0	0	0	0	111.8	Q237	Q237-S296 PolarHBondContact NE2-O 3.01Å; Q237-S296 PolarHBondContact OE1-O 3.11Å
297	G	88.8	Confident	92.9	Very high	58 Å²	58	39.6 Å²	39.6	60%	0.598	21%	0.214	S	C	*	.	S	Bend	trans	82.4	-137.9	-173.5	0	0	0	0	0	112	R299	G297-R299 PolarHBondContact O-N 2.99Å
298	F	91.9	Very high	92.5	Very high	37 Å²	37	40.1 Å²	40.1	16%	0.162	21%	0.214	C	C	.	.	S	Bend	trans	-65.7	121.2	173	173.4	-99.8	0	0	0	110.2	T162 Y166 L236 Q237 F300 T349 P351	T162-F298 HydrophobicContact CG2-CE1 3.79Å; T162-F298 HydrophobicContact CG2-CZ 3.72Å; Y166-F298 AromaticContact CD2-CE2 3.81Å; Y166-F298 HydrophobicContact CD2-CE2 3.81Å; Y166-F298 HydrophobicContact CE2-CE2 4.11Å; Y166-F298 HydrophobicContact CG-CE2 4.49Å; L236-F298 WeakPolarHBondContact O-CD1 3.38Å; L236-F298 WeakPolarHBondContact O-CE1 3.45Å; Q237-F298 WeakPolarHBondContact CB-O 3.38Å; Q237-F298 PolarHBondContact OE1-O 2.96Å; Q237-F298 VanDerWaalsContact OE1-O 3.12Å; F298-F300 HydrophobicContact CE1-CB 4.16Å; F298-F300 HydrophobicContact CE2-CB 4.25Å; F298-F300 HydrophobicContact CZ-CB 3.65Å; F298-F300 HydrophobicContact CZ-CG 4.24Å; F298-T349 WeakPolarHBondContact CD2-O 3.42Å; F298-P351 HydrophobicContact CD1-CB 4.08Å; F298-P351 HydrophobicContact CD2-CB 3.81Å; F298-P351 HydrophobicContact CD2-CG 4.35Å; F298-P351 HydrophobicContact CE1-CB 3.95Å; F298-P351 HydrophobicContact CE2-CB 3.68Å; F298-P351 HydrophobicContact CE2-CG 3.89Å; F298-P351 HydrophobicContact CG-CB 4.01Å; F298-P351 HydrophobicContact CZ-CB 3.74Å; F298-P351 HydrophobicContact CZ-CG 4.12Å
299	R	94.1	Very high	92.1	Very high	38 Å²	38	41.3 Å²	41.3	14%	0.143	22%	0.221	C	C	.	.			trans	-139.5	134.9	171.4	61.7	-176.4	178.7	133.6	11.1	108.4	Q237 F292 C295 G297 E342 I346	Q237-R299 HydrophobicContact CB-CB 4.33Å; F292-R299 HydrophobicContact CD2-CB 4.43Å; F292-R299 HydrophobicContact CE2-CB 3.89Å; F292-R299 HydrophobicContact CE2-CG 3.76Å; F292-R299 HydrophobicContact CZ-CG 4Å; F292-R299 PolarHBondContact O-NH1 2.94Å; F292-R299 VanDerWaalsContact O-NH1 3.14Å; C295-R299 HydrophobicContact CB-CB 3.89Å; C295-R299 HydrophobicContact CB-CG 4.48Å; G297-R299 PolarHBondContact O-N 2.99Å; R299-E342 IonicContact CZ-OE1 2.94Å; R299-E342 VanDerWaalsContact CZ-OE1 3.22Å; R299-E342 IonicContact NH1-OE1 3.52Å; R299-E342 PolarHBondContact NH1-OE1 3.44Å; R299-E342 IonicContact NH2-OE1 2.69Å; R299-E342 PolarHBondContact NH2-OE1 3.25Å; R299-I346 VanDerWaalsContact O-CG2 3.25Å; R299-I346 WeakPolarHBondContact O-CG2 3.35Å
300	F	95.5	Very high	91.8	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-123.9	113.7	-174	-169.9	-138.9	0	0	0	110.5	E165 F169 F195 Q237 N238 F239 N240 F298 I346	E165-F300 HydrophobicContact CB-CE1 3.64Å; E165-F300 HydrophobicContact CB-CZ 4.13Å; F169-F300 HydrophobicContact CB-CE2 3.7Å; F169-F300 HydrophobicContact CB-CZ 3.81Å; F169-F300 HydrophobicContact CD1-CD2 4.35Å; F169-F300 AromaticContact CD1-CE2 3.66Å; F169-F300 HydrophobicContact CD1-CE2 3.66Å; F169-F300 AromaticContact CD2-CE2 3.95Å; F169-F300 HydrophobicContact CD2-CE2 3.95Å; F169-F300 HydrophobicContact CE1-CE2 4.22Å; F169-F300 AromaticContact CG-CE2 3.51Å; F169-F300 HydrophobicContact CG-CE2 3.51Å; F169-F300 HydrophobicContact CG-CZ 4.11Å; F195-F300 HydrophobicContact CE2-CZ 4.07Å; F195-F300 HydrophobicContact CZ-CZ 4.09Å; Q237-F300 PolarHBondContact O-N 3.22Å; N238-F300 HydrophobicContact CB-CB 4.47Å; N238-F300 WeakPolarHBondContact OD1-CD1 3.45Å; F239-F300 PolarHBondContact N-O 2.96Å; N240-F300 HydrophobicContact CB-CD1 4.05Å; N240-F300 HydrophobicContact CB-CE1 3.88Å; N240-F300 HydrophobicContact CB-CZ 4.38Å; F298-F300 HydrophobicContact CE1-CB 4.16Å; F298-F300 HydrophobicContact CE2-CB 4.25Å; F298-F300 HydrophobicContact CZ-CB 3.65Å; F298-F300 HydrophobicContact CZ-CG 4.24Å; F300-I346 HydrophobicContact CD2-CG2 4.2Å
301	P	95.7	Very high	91.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	20%	0.195	C	C	.	.			trans	-83.6	157.1	-163.6	32.6	-33.5	0	0	0	111.9	N240 Y288 F292 L303 L343 I346	N240-P301 WeakPolarHBondContact CB-O 3.06Å; N240-P301 PolarHBondContact OD1-O 2.69Å; Y288-P301 WeakPolarHBondContact OH-CA 3.26Å; Y288-P301 VanDerWaalsContact OH-CB 3.27Å; Y288-P301 WeakPolarHBondContact OH-CB 3.2Å; F292-P301 HydrophobicContact CE1-CB 4.38Å; F292-P301 HydrophobicContact CE2-CB 3.81Å; F292-P301 HydrophobicContact CZ-CB 3.68Å; F292-P301 HydrophobicContact CZ-CG 4.37Å; P301-L303 PolarHBondContact O-N 2.92Å; P301-L343 HydrophobicContact CG-CD2 4Å; P301-I346 HydrophobicContact CG-CD1 3.86Å
302	I	95	Very high	90.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.			trans	-70	100.9	166.4	-54.6	171.9	0	0	0	107.3	F239 M243 V279 Y288 G304 V305	F239-I302 HydrophobicContact CB-CD1 4.37Å; F239-I302 HydrophobicContact CB-CG1 3.78Å; F239-I302 WeakPolarHBondContact O-CG1 3.41Å; M243-I302 HydrophobicContact CB-CD1 4.04Å; M243-I302 HydrophobicContact CB-CG1 4.13Å; M243-I302 HydrophobicContact CB-CG2 4.34Å; M243-I302 HydrophobicContact CG-CD1 4.3Å; M243-I302 HydrophobicContact CG-CG2 4.13Å; V279-I302 HydrophobicContact CB-CD1 4.43Å; V279-I302 HydrophobicContact CG1-CD1 4.39Å; Y288-I302 HydrophobicContact CD1-CD1 4.4Å; Y288-I302 HydrophobicContact CD2-CD1 3.72Å; Y288-I302 HydrophobicContact CD2-CG1 4.14Å; Y288-I302 HydrophobicContact CE2-CB 4.33Å; Y288-I302 HydrophobicContact CE2-CD1 3.9Å; Y288-I302 HydrophobicContact CE2-CG1 3.79Å; Y288-I302 HydrophobicContact CG-CD1 3.98Å; Y288-I302 PolarHBondContact OH-N 3.24Å; I302-G304 VanDerWaalsContact C-N 3.25Å; I302-G304 PolarHBondContact O-N 3.18Å; I302-V305 HydrophobicContact CB-CG2 3.92Å; I302-V305 HydrophobicContact CG2-CG2 3.85Å; I302-V305 PolarHBondContact O-N 3.48Å
303	L	93.1	Very high	90.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-38	-169.3	-174.2	56.1	0	0	0	112.3	F169 I172 Y177 L192 F195 N240 P301 V305 H306 L307 L343	F169-L303 HydrophobicContact CD2-CD2 4.29Å; F169-L303 HydrophobicContact CE2-CD1 3.99Å; F169-L303 HydrophobicContact CE2-CD2 4.26Å; I172-L303 HydrophobicContact CD1-CD2 3.85Å; Y177-L303 HydrophobicContact CE1-CD1 4.06Å; Y177-L303 HydrophobicContact CE1-CD2 4.43Å; L192-L303 HydrophobicContact CD1-CD2 3.99Å; F195-L303 HydrophobicContact CD1-CD2 3.64Å; F195-L303 HydrophobicContact CE1-CB 3.82Å; F195-L303 HydrophobicContact CE1-CD2 3.5Å; F195-L303 HydrophobicContact CE1-CG 4.3Å; F195-L303 HydrophobicContact CG-CD2 4.47Å; F195-L303 HydrophobicContact CZ-CB 4.43Å; F195-L303 HydrophobicContact CZ-CD2 4.24Å; N240-L303 PolarHBondContact OD1-N 2.78Å; P301-L303 PolarHBondContact O-N 2.92Å; L303-V305 PolarHBondContact O-N 3.24Å; L303-H306 PolarHBondContact O-N 2.82Å; L303-H306 VanDerWaalsContact O-N 3.09Å; L303-L307 HydrophobicContact CD1-CG 4.35Å; L303-L307 HydrophobicContact CD2-CD1 4.41Å; L303-L307 HydrophobicContact CG-CD1 3.98Å; L303-L307 HydrophobicContact CG-CG 4.03Å; L303-L307 WeakPolarHBondContact O-CG 3.44Å; L303-L307 PolarHBondContact O-N 2.8Å; L303-L343 HydrophobicContact CD1-CD1 4.07Å; L303-L343 HydrophobicContact CD1-CD2 3.92Å
304	G	86.4	Confident	90.2	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-54.6	-32.4	176.7	0	0	0	0	0	115	I302 K308	I302-G304 VanDerWaalsContact C-N 3.25Å; I302-G304 PolarHBondContact O-N 3.18Å; G304-K308 WeakPolarHBondContact O-CB 3.34Å; G304-K308 PolarHBondContact O-N 3.13Å
305	V	89.1	Confident	89.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-44.5	177.6	-179.1	0	0	0	0	110.5	Y285 Y288 R289 I302 L303 K308 D309	Y285-V305 HydrophobicContact CD1-CG2 3.98Å; Y285-V305 HydrophobicContact CD2-CG1 4.08Å; Y285-V305 HydrophobicContact CD2-CG2 3.79Å; Y285-V305 HydrophobicContact CE1-CG2 4.17Å; Y285-V305 HydrophobicContact CE2-CG2 4Å; Y285-V305 HydrophobicContact CG-CG1 4.33Å; Y285-V305 HydrophobicContact CG-CG2 3.79Å; Y288-V305 HydrophobicContact CD1-CG1 4.38Å; Y288-V305 HydrophobicContact CD1-CG2 4.38Å; Y288-V305 HydrophobicContact CE1-CB 4.09Å; Y288-V305 HydrophobicContact CE1-CG1 3.98Å; Y288-V305 HydrophobicContact CE1-CG2 4.14Å; R289-V305 VanDerWaalsContact NH2-CG1 3.26Å; I302-V305 HydrophobicContact CB-CG2 3.92Å; I302-V305 HydrophobicContact CG2-CG2 3.85Å; I302-V305 PolarHBondContact O-N 3.48Å; L303-V305 PolarHBondContact O-N 3.24Å; V305-K308 WeakPolarHBondContact O-CB 3.43Å; V305-K308 PolarHBondContact O-N 2.86Å; V305-D309 VanDerWaalsContact O-CG 3.24Å; V305-D309 PolarHBondContact O-N 3.23Å
306	H	92.3	Very high	89.3	Confident	13 Å²	13	34.4 Å²	34.4	6%	0.06	22%	0.218	C	C	.	.	H	α-helix	trans	-71.4	-34.2	177.7	-63.9	-94.1	0	0	0	112	F292 L303 D309 L310 I339 E342 L343	F292-H306 AromaticContact CE1-NE2 3.62Å; L303-H306 PolarHBondContact O-N 2.82Å; L303-H306 VanDerWaalsContact O-N 3.09Å; H306-D309 PolarHBondContact O-N 3.16Å; H306-L310 WeakPolarHBondContact O-CG 3.5Å; H306-L310 PolarHBondContact O-N 3.47Å; H306-I339 HydrophobicContact CB-CG2 4.11Å; H306-I339 WeakPolarHBondContact CE1-CG2 3.35Å; H306-E342 IonicContact CE1-OE2 3.85Å; H306-E342 IonicContact ND1-OE2 2.84Å; H306-E342 IonicContact NE2-OE2 3.96Å; H306-E342 PolarHBondContact NE2-OE2 3.21Å; H306-L343 HydrophobicContact CB-CD1 4.36Å; H306-L343 HydrophobicContact CB-CD2 4.21Å
307	L	87.4	Confident	89.2	Confident	3 Å²	3	32 Å²	32	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-41.6	172.1	-69.7	178	0	0	0	111.9	Y177 F180 L192 L303 D309 L310 I311 W410	Y177-L307 HydrophobicContact CD1-CD2 3.83Å; Y177-L307 HydrophobicContact CE1-CD2 4.17Å; F180-L307 HydrophobicContact CD1-CB 4.39Å; F180-L307 HydrophobicContact CD1-CD1 4.43Å; F180-L307 HydrophobicContact CD1-CD2 3.83Å; F180-L307 HydrophobicContact CD1-CG 4.44Å; F180-L307 HydrophobicContact CE1-CB 3.78Å; F180-L307 HydrophobicContact CE1-CD1 4.03Å; F180-L307 HydrophobicContact CE1-CD2 4.05Å; F180-L307 HydrophobicContact CE1-CG 4.16Å; F180-L307 HydrophobicContact CG-CD2 4.48Å; F180-L307 HydrophobicContact CZ-CB 4.42Å; F180-L307 HydrophobicContact CZ-CD1 4.12Å; L192-L307 HydrophobicContact CD1-CD1 4.48Å; L303-L307 HydrophobicContact CD1-CG 4.35Å; L303-L307 HydrophobicContact CD2-CD1 4.41Å; L303-L307 HydrophobicContact CG-CD1 3.98Å; L303-L307 HydrophobicContact CG-CG 4.03Å; L303-L307 WeakPolarHBondContact O-CG 3.44Å; L303-L307 PolarHBondContact O-N 2.8Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-L310 HydrophobicContact CD2-CD1 4.42Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-I311 WeakPolarHBondContact O-CG1 3.35Å; L307-I311 PolarHBondContact O-N 2.87Å; L307-W410 HydrophobicContact CD1-CZ3 4.27Å
308	K	85.1	Confident	89.3	Confident	95 Å²	95	33.1 Å²	33.1	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-60.2	-42.8	172.7	-178	179.5	-177.5	176.8	0	111.4	G304 V305 I311 A312 D408	G304-K308 WeakPolarHBondContact O-CB 3.34Å; G304-K308 PolarHBondContact O-N 3.13Å; V305-K308 WeakPolarHBondContact O-CB 3.43Å; V305-K308 PolarHBondContact O-N 2.86Å; K308-I311 PolarHBondContact O-N 2.96Å; K308-A312 WeakPolarHBondContact O-CB 3.48Å; K308-A312 PolarHBondContact O-N 2.67Å; K308-D408 IonicContact NZ-OD2 3.3Å; K308-D408 PolarHBondContact NZ-OD2 3.4Å
309	D	89.1	Confident	89.2	Confident	26 Å²	26	33.4 Å²	33.4	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-41.3	177.1	-63	-26.5	0	0	0	112.2	R289 V305 H306 L307 A312 V313 I339	R289-D309 IonicContact CZ-OD1 2.71Å; R289-D309 IonicContact CZ-OD2 3.46Å; R289-D309 VanDerWaalsContact CZ-OD2 3.27Å; R289-D309 IonicContact NH1-OD1 3.93Å; R289-D309 IonicContact NH1-OD2 2.85Å; R289-D309 PolarHBondContact NH1-OD2 3.37Å; R289-D309 VanDerWaalsContact NH2-CG 3.26Å; R289-D309 IonicContact NH2-OD1 3.89Å; R289-D309 PolarHBondContact NH2-OD1 2.91Å; R289-D309 IonicContact NH2-OD2 3.57Å; R289-D309 PolarHBondContact NH2-OD2 3.34Å; V305-D309 VanDerWaalsContact O-CG 3.24Å; V305-D309 PolarHBondContact O-N 3.23Å; H306-D309 PolarHBondContact O-N 3.16Å; L307-D309 VanDerWaalsContact C-N 3.34Å; D309-A312 PolarHBondContact O-N 3.26Å; D309-V313 WeakPolarHBondContact O-CG2 3.24Å; D309-V313 PolarHBondContact O-N 3.01Å; D309-I339 HydrophobicContact CB-CD1 3.96Å
310	L	88.4	Confident	89.1	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.2	-72.1	169.3	0	0	0	112.2	V181 H306 L307 H314 L336 I339 L340	V181-L310 HydrophobicContact CG2-CB 3.6Å; V181-L310 HydrophobicContact CG2-CD1 4.23Å; V181-L310 HydrophobicContact CG2-CG 4.47Å; H306-L310 WeakPolarHBondContact O-CG 3.5Å; H306-L310 PolarHBondContact O-N 3.47Å; L307-L310 HydrophobicContact CD2-CD1 4.42Å; L307-L310 PolarHBondContact O-N 2.85Å; L310-H314 VanDerWaalsContact O-CB 3.29Å; L310-H314 WeakPolarHBondContact O-CB 3.15Å; L310-H314 PolarHBondContact O-N 3.3Å; L310-L336 HydrophobicContact CD2-CD2 3.72Å; L310-I339 HydrophobicContact CD1-CG2 4.33Å; L310-I339 HydrophobicContact CD2-CB 3.85Å; L310-I339 HydrophobicContact CD2-CD1 4.01Å; L310-I339 HydrophobicContact CD2-CG2 3.86Å; L310-I339 HydrophobicContact CG-CB 4.38Å; L310-I339 HydrophobicContact CG-CD1 4.38Å; L310-I339 HydrophobicContact CG-CG2 3.84Å; L310-L340 HydrophobicContact CD1-CD2 3.97Å; L310-L340 HydrophobicContact CD2-CD2 4.36Å; L310-L340 HydrophobicContact CD2-CG 4.03Å
311	I	84.6	Confident	88.8	Confident	46 Å²	46	37 Å²	37	24%	0.236	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-44.9	173.8	-70.6	172.9	0	0	0	110.4	F180 L307 K308 V313 H314 V315	F180-I311 HydrophobicContact CD1-CD1 4.26Å; F180-I311 HydrophobicContact CE1-CD1 3.53Å; F180-I311 HydrophobicContact CE1-CG1 4.28Å; F180-I311 HydrophobicContact CZ-CD1 4.21Å; L307-I311 WeakPolarHBondContact O-CG1 3.35Å; L307-I311 PolarHBondContact O-N 2.87Å; K308-I311 PolarHBondContact O-N 2.96Å; I311-V313 PolarHBondContact O-N 3.19Å; I311-H314 PolarHBondContact O-N 3.34Å; I311-H314 VanDerWaalsContact O-N 3.11Å; I311-V315 HydrophobicContact CG2-CG2 4.15Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 3.05Å
312	A	82.9	Confident	88.5	Confident	54 Å²	54	38.9 Å²	38.9	45%	0.446	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-45.6	179.7	0	0	0	0	0	112	K308 D309 H314 A316	K308-A312 WeakPolarHBondContact O-CB 3.48Å; K308-A312 PolarHBondContact O-N 2.67Å; D309-A312 PolarHBondContact O-N 3.26Å; A312-H314 VanDerWaalsContact C-N 3.34Å; A312-A316 WeakPolarHBondContact O-CB 3.43Å; A312-A316 PolarHBondContact O-N 2.8Å
313	V	89.7	Confident	88.1	Confident	17 Å²	17	48.9 Å²	48.9	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-38.8	173.8	174.4	0	0	0	0	111.3	D309 I311 L317 K332 Q335 L336 I339	D309-V313 WeakPolarHBondContact O-CG2 3.24Å; D309-V313 PolarHBondContact O-N 3.01Å; I311-V313 PolarHBondContact O-N 3.19Å; V313-L317 HydrophobicContact CG1-CD1 4.26Å; V313-L317 PolarHBondContact O-N 3.06Å; V313-K332 HydrophobicContact CG1-CG 4.32Å; V313-Q335 HydrophobicContact CG1-CB 3.82Å; V313-Q335 HydrophobicContact CG2-CB 4.32Å; V313-L336 HydrophobicContact CB-CD2 3.87Å; V313-L336 HydrophobicContact CG1-CD2 3.64Å; V313-L336 HydrophobicContact CG1-CG 3.76Å; V313-I339 HydrophobicContact CG2-CD1 4.34Å
314	H	88.2	Confident	87.8	Confident	35 Å²	35	56.8 Å²	56.8	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-40.5	179.6	-179.1	74	0	0	0	113.2	W44 V181 M182 L310 I311 A312 D319 K332	W44-H314 AromaticContact CZ2-ND1 3.67Å; W44-H314 AromaticContact NE1-CE1 3.99Å; W44-H314 AromaticContact NE1-ND1 3.72Å; V181-H314 HydrophobicContact CG1-CB 3.34Å; M182-H314 PolarHBondContact SD-CE1 3.43Å; L310-H314 VanDerWaalsContact O-CB 3.29Å; L310-H314 WeakPolarHBondContact O-CB 3.15Å; L310-H314 PolarHBondContact O-N 3.3Å; I311-H314 PolarHBondContact O-N 3.34Å; I311-H314 VanDerWaalsContact O-N 3.11Å; A312-H314 VanDerWaalsContact C-N 3.34Å; H314-D319 IonicContact CE1-OD1 3.89Å; H314-D319 IonicContact ND1-OD1 3.98Å; H314-K332 PolarHBondContact ND1-NZ 3.12Å; H314-K332 PolarHBondContact O-NZ 3.45Å
315	V	83.4	Confident	88	Confident	115 Å²	115	63.2 Å²	63.2	70%	0.697	34%	0.341	S	S	*	.	H	α-helix	trans	-78	-36.6	179	173.9	0	0	0	0	111.9	I311	I311-V315 HydrophobicContact CG2-CG2 4.15Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 3.05Å
316	A	85.3	Confident	87.9	Confident	78 Å²	78	66.4 Å²	66.4	65%	0.645	36%	0.361	S	S	*	.	H	α-helix	trans	-75.8	-26.3	-175.9	0	0	0	0	0	114.4	A312	A312-A316 WeakPolarHBondContact O-CB 3.43Å; A312-A316 PolarHBondContact O-N 2.8Å
317	L	88	Confident	87.8	Confident	47 Å²	47	69.4 Å²	69.4	25%	0.246	37%	0.371	C	S	.	.	S	Bend	trans	-122.4	137.3	-174.8	-59.8	177.2	0	0	0	111.4	V313 K332	V313-L317 HydrophobicContact CG1-CD1 4.26Å; V313-L317 PolarHBondContact O-N 3.06Å; L317-K332 HydrophobicContact CB-CB 3.92Å; L317-K332 HydrophobicContact CB-CD 3.98Å; L317-K332 HydrophobicContact CB-CG 3.89Å; L317-K332 HydrophobicContact CD1-CB 3.98Å; L317-K332 HydrophobicContact CD1-CG 4.3Å; L317-K332 WeakPolarHBondContact O-CD 3.44Å; L317-K332 WeakPolarHBondContact O-CE 3.02Å; L317-K332 PolarHBondContact O-NZ 2.91Å
318	P	90.8	Very high	88	Confident	81 Å²	81	69.3 Å²	69.3	53%	0.526	37%	0.371	S	S	.	.			trans	-73.1	147.3	173.7	31.9	-35.5	0	0	0	111.1	W320 N329 K332	P318-W320 VanDerWaalsContact C-N 3.26Å; P318-W320 WeakPolarHBondContact CB-O 3.34Å; P318-W320 PolarHBondContact O-N 2.75Å; P318-N329 VanDerWaalsContact O-CB 3.25Å; P318-N329 WeakPolarHBondContact O-CB 3.26Å; P318-N329 PolarHBondContact O-ND2 3.42Å; P318-K332 WeakPolarHBondContact O-CD 3.49Å
319	D	89.4	Confident	88.4	Confident	43 Å²	43	65.7 Å²	65.7	23%	0.23	36%	0.356	C	S	.	.	S	Bend	trans	-66.5	-30.4	176.5	-54	-59.7	0	0	0	112.7	W44 H314 N329 K332	W44-D319 PolarHBondContact NE1-OD1 3.26Å; H314-D319 IonicContact CE1-OD1 3.89Å; H314-D319 IonicContact ND1-OD1 3.98Å; D319-N329 WeakPolarHBondContact O-CB 3.2Å; D319-N329 PolarHBondContact O-N 3.31Å; D319-K332 VanDerWaalsContact OD1-CE 3.29Å; D319-K332 WeakPolarHBondContact OD1-CE 3.22Å; D319-K332 IonicContact OD1-NZ 2.91Å; D319-K332 PolarHBondContact OD1-NZ 3.17Å; D319-K332 IonicContact OD2-NZ 3.22Å
320	W	91.7	Very high	88.5	Confident	52 Å²	52	64.9 Å²	64.9	20%	0.197	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-115.4	139.8	-177.9	-55.3	90.4	0	0	0	109.9	P318 K325 R327 V328	P318-W320 VanDerWaalsContact C-N 3.26Å; P318-W320 WeakPolarHBondContact CB-O 3.34Å; P318-W320 PolarHBondContact O-N 2.75Å; W320-K325 HydrophobicContact CB-CB 4.5Å; W320-K325 HydrophobicContact CB-CG 4.35Å; W320-K325 HydrophobicContact CD2-CB 3.62Å; W320-K325 HydrophobicContact CD2-CG 4.15Å; W320-K325 HydrophobicContact CE3-CB 4.03Å; W320-K325 HydrophobicContact CG-CB 3.8Å; W320-K325 HydrophobicContact CG-CD 4.47Å; W320-K325 HydrophobicContact CG-CG 3.8Å; W320-K325 HydrophobicContact CZ2-CB 4.4Å; W320-K325 WeakPolarHBondContact CZ3-O 3.36Å; W320-R327 CarbonylContact C-O 3.59Å; W320-R327 WeakPolarHBondContact CA-O 3.23Å; W320-V328 HydrophobicContact CE3-CG2 4.3Å; W320-V328 HydrophobicContact CH2-CG2 4.3Å; W320-V328 HydrophobicContact CZ3-CG2 3.81Å
321	A	89.7	Confident	88.6	Confident	62 Å²	62	66.5 Å²	66.5	51%	0.512	37%	0.365	S	S	.	.	S	Bend	trans	-78.7	-23.8	176	0	0	0	0	0	112.2	S9 R327	S9-A321 VanDerWaalsContact CB-CB 3.42Å; A321-R327 HydrophobicContact CB-CB 4.41Å; A321-R327 PolarHBondContact N-O 2.97Å
322	D	89.3	Confident	89	Confident	40 Å²	40	64.5 Å²	64.5	21%	0.214	36%	0.355	C	S	.	.	S	Bend	trans	-115.9	159	-178.5	69.7	-58.9	0	0	0	112.3	E324 K325 T326 R327	D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 WeakPolarHBondContact OD2-CA 3.07Å; D322-E324 WeakPolarHBondContact OD2-CB 3.37Å; D322-E324 PolarHBondContact OD2-N 3.16Å; D322-K325 PolarHBondContact OD2-N 3.36Å; D322-T326 VanDerWaalsContact CG-OG1 3.25Å; D322-T326 PolarHBondContact OD1-N 3.31Å; D322-T326 PolarHBondContact OD2-N 3.47Å; D322-T326 PolarHBondContact OD2-OG1 3.23Å; D322-R327 PolarHBondContact OD1-N 2.92Å
323	K	85.8	Confident	89.5	Confident	211 Å²	211	62.5 Å²	62.5	92%	0.917	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.2	178.6	-67	-175.3	179.5	-179.8	0	113.6	K325	K323-K325 VanDerWaalsContact C-N 3.26Å
324	E	88.4	Confident	89.6	Confident	167 Å²	167	67.1 Å²	67.1	78%	0.78	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6	-178.7	-59.4	-179.1	179.9	0	0	112.2	D322 T326	D322-E324 VanDerWaalsContact C-N 3.31Å; D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 WeakPolarHBondContact OD2-CA 3.07Å; D322-E324 WeakPolarHBondContact OD2-CB 3.37Å; D322-E324 PolarHBondContact OD2-N 3.16Å; E324-T326 HydrophobicContact CB-CG2 3.97Å
325	K	88.7	Confident	89.8	Confident	140 Å²	140	70 Å²	70	61%	0.609	37%	0.371	S	S	*	.	S	Bend	trans	59.3	48.4	-178.8	-56.2	-174.4	179.3	-176.5	0	112.4	W320 D322 K323	W320-K325 HydrophobicContact CB-CB 4.5Å; W320-K325 HydrophobicContact CB-CG 4.35Å; W320-K325 HydrophobicContact CD2-CB 3.62Å; W320-K325 HydrophobicContact CD2-CG 4.15Å; W320-K325 HydrophobicContact CE3-CB 4.03Å; W320-K325 HydrophobicContact CG-CB 3.8Å; W320-K325 HydrophobicContact CG-CD 4.47Å; W320-K325 HydrophobicContact CG-CG 3.8Å; W320-K325 HydrophobicContact CZ2-CB 4.4Å; W320-K325 WeakPolarHBondContact CZ3-O 3.36Å; D322-K325 PolarHBondContact OD2-N 3.36Å; K323-K325 VanDerWaalsContact C-N 3.26Å
326	T	87.2	Confident	90.4	Very high	68 Å²	68	64.6 Å²	64.6	42%	0.417	34%	0.338	S	S	.	.			trans	-107.7	-33.4	-179.6	62.9	0	0	0	0	112.9	T11 D322 E324	T11-T326 WeakPolarHBondContact CA-O 3.17Å; D322-T326 VanDerWaalsContact CG-OG1 3.25Å; D322-T326 PolarHBondContact OD1-N 3.31Å; D322-T326 PolarHBondContact OD2-N 3.47Å; D322-T326 PolarHBondContact OD2-OG1 3.23Å; E324-T326 HydrophobicContact CB-CG2 3.97Å
327	R	91.4	Very high	90.8	Very high	77 Å²	77	61.6 Å²	61.6	29%	0.291	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.8	179.9	-64.9	-174.7	73.9	147.2	5.3	110.8	E7 S9 A10 T11 W320 A321 D322	E7-R327 IonicContact OE2-CZ 3.86Å; E7-R327 IonicContact OE2-NH2 2.66Å; E7-R327 PolarHBondContact OE2-NH2 3.21Å; S9-R327 PolarHBondContact O-NH2 2.72Å; S9-R327 PolarHBondContact OG-NE 3.14Å; S9-R327 VanDerWaalsContact OG-NE 3.07Å; A10-R327 CarbonylContact O-C 3.58Å; A10-R327 WeakPolarHBondContact O-CA 3.34Å; T11-R327 HydrophobicContact CG2-CG 3.93Å; W320-R327 CarbonylContact C-O 3.59Å; W320-R327 WeakPolarHBondContact CA-O 3.23Å; A321-R327 HydrophobicContact CB-CB 4.41Å; A321-R327 PolarHBondContact N-O 2.97Å; D322-R327 PolarHBondContact OD1-N 2.92Å
328	V	92.2	Very high	91.1	Very high	1 Å²	1	62 Å²	62	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.2	174.8	-178.5	0	0	0	0	109.8	S9 A10 V12 L15 Y45 W320 L330	S9-V328 WeakPolarHBondContact CA-O 3.43Å; S9-V328 VanDerWaalsContact CB-O 3.26Å; S9-V328 WeakPolarHBondContact CB-O 3.14Å; A10-V328 PolarHBondContact N-O 2.94Å; A10-V328 PolarHBondContact O-N 3.34Å; V12-V328 HydrophobicContact CG2-CG2 4.02Å; L15-V328 HydrophobicContact CD1-CB 4.44Å; L15-V328 HydrophobicContact CD1-CG2 4.46Å; Y45-V328 HydrophobicContact CD1-CG1 3.72Å; Y45-V328 HydrophobicContact CD1-CG2 4.08Å; Y45-V328 HydrophobicContact CD2-CG2 3.98Å; Y45-V328 HydrophobicContact CE1-CG1 3.95Å; Y45-V328 HydrophobicContact CE2-CG2 4.47Å; Y45-V328 HydrophobicContact CG-CG1 4.28Å; Y45-V328 HydrophobicContact CG-CG2 3.77Å; W320-V328 HydrophobicContact CE3-CG2 4.3Å; W320-V328 HydrophobicContact CH2-CG2 4.3Å; W320-V328 HydrophobicContact CZ3-CG2 3.81Å; V328-L330 PolarHBondContact O-N 2.73Å
329	N	92.4	Very high	91.2	Very high	18 Å²	18	59.3 Å²	59.3	10%	0.096	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	97	174.4	179.2	-5.9	0	0	0	111	P318 D319 A331 K332 T333	P318-N329 VanDerWaalsContact O-CB 3.25Å; P318-N329 WeakPolarHBondContact O-CB 3.26Å; P318-N329 PolarHBondContact O-ND2 3.42Å; D319-N329 WeakPolarHBondContact O-CB 3.2Å; D319-N329 PolarHBondContact O-N 3.31Å; N329-A331 VanDerWaalsContact C-N 3.27Å; N329-A331 PolarHBondContact O-N 3.36Å; N329-A331 WeakPolarHBondContact OD1-CB 3.37Å; N329-A331 PolarHBondContact OD1-N 3Å; N329-K332 HydrophobicContact CB-CB 4.21Å; N329-K332 WeakPolarHBondContact O-CB 3.48Å; N329-K332 PolarHBondContact O-N 3.4Å; N329-K332 VanDerWaalsContact O-N 3.13Å; N329-K332 PolarHBondContact OD1-N 2.89Å; N329-T333 PolarHBondContact O-N 3.12Å; N329-T333 VanDerWaalsContact O-N 3.09Å; N329-T333 PolarHBondContact O-OG1 3.21Å; N329-T333 VanDerWaalsContact O-OG1 3.13Å
330	L	91.1	Very high	91.5	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-27.9	-175.6	-62.9	-176.8	0	0	0	113	I4 Q8 A10 L15 V328 K332 T333 Q334	I4-L330 HydrophobicContact CG2-CD1 4.17Å; I4-L330 VanDerWaalsContact O-CD1 3.24Å; I4-L330 WeakPolarHBondContact O-CD1 3.31Å; Q8-L330 PolarHBondContact O-N 3.44Å; Q8-L330 VanDerWaalsContact O-N 3.09Å; A10-L330 HydrophobicContact CB-CD1 3.91Å; A10-L330 HydrophobicContact CB-CG 4.45Å; L15-L330 HydrophobicContact CD1-CD2 4.05Å; L15-L330 HydrophobicContact CD2-CD1 4.47Å; L15-L330 HydrophobicContact CD2-CD2 4Å; V328-L330 PolarHBondContact O-N 2.73Å; L330-K332 VanDerWaalsContact C-N 3.32Å; L330-K332 PolarHBondContact O-N 3.37Å; L330-T333 PolarHBondContact O-N 3.11Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.09Å; L330-Q334 PolarHBondContact O-N 3.45Å
331	A	91.3	Very high	91.5	Very high	34 Å²	34	58.6 Å²	58.6	28%	0.281	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-36	174.7	0	0	0	0	0	112	N329 Q335	N329-A331 VanDerWaalsContact C-N 3.27Å; N329-A331 PolarHBondContact O-N 3.36Å; N329-A331 WeakPolarHBondContact OD1-CB 3.37Å; N329-A331 PolarHBondContact OD1-N 3Å; A331-Q335 WeakPolarHBondContact O-CG 3.49Å; A331-Q335 PolarHBondContact O-N 3.16Å; A331-Q335 PolarHBondContact O-NE2 3.48Å
332	K	92.4	Very high	91.6	Very high	5 Å²	5	58.1 Å²	58.1	2%	0.022	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-48.9	170.9	-172.9	-179.6	-168.3	170.1	0	110.9	V313 H314 L317 P318 D319 N329 L330 Q334 Q335 L336	V313-K332 HydrophobicContact CG1-CG 4.32Å; H314-K332 PolarHBondContact ND1-NZ 3.12Å; H314-K332 PolarHBondContact O-NZ 3.45Å; L317-K332 HydrophobicContact CB-CB 3.92Å; L317-K332 HydrophobicContact CB-CD 3.98Å; L317-K332 HydrophobicContact CB-CG 3.89Å; L317-K332 HydrophobicContact CD1-CB 3.98Å; L317-K332 HydrophobicContact CD1-CG 4.3Å; L317-K332 WeakPolarHBondContact O-CD 3.44Å; L317-K332 WeakPolarHBondContact O-CE 3.02Å; L317-K332 PolarHBondContact O-NZ 2.91Å; P318-K332 WeakPolarHBondContact O-CD 3.49Å; D319-K332 VanDerWaalsContact OD1-CE 3.29Å; D319-K332 WeakPolarHBondContact OD1-CE 3.22Å; D319-K332 IonicContact OD1-NZ 2.91Å; D319-K332 PolarHBondContact OD1-NZ 3.17Å; D319-K332 IonicContact OD2-NZ 3.22Å; N329-K332 HydrophobicContact CB-CB 4.21Å; N329-K332 WeakPolarHBondContact O-CB 3.48Å; N329-K332 PolarHBondContact O-N 3.4Å; N329-K332 VanDerWaalsContact O-N 3.13Å; N329-K332 PolarHBondContact OD1-N 2.89Å; L330-K332 VanDerWaalsContact C-N 3.32Å; L330-K332 PolarHBondContact O-N 3.37Å; K332-Q334 VanDerWaalsContact C-N 3.32Å; K332-Q334 PolarHBondContact O-N 3.5Å; K332-Q335 PolarHBondContact O-N 3.28Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.98Å; K332-L336 HydrophobicContact CG-CG 4.4Å; K332-L336 WeakPolarHBondContact O-CG 3.24Å; K332-L336 PolarHBondContact O-N 3.45Å
333	T	92.4	Very high	91.8	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-45.6	-180	-51.4	0	0	0	0	111.7	M37 M41 N329 L330 Y337	M37-T333 HydrophobicContact CG-CG2 4.09Å; M37-T333 HydrophobicContact SD-CG2 4.25Å; M41-T333 HydrophobicContact CB-CG2 3.66Å; M41-T333 HydrophobicContact CG-CG2 3.77Å; N329-T333 PolarHBondContact O-N 3.12Å; N329-T333 VanDerWaalsContact O-N 3.09Å; N329-T333 PolarHBondContact O-OG1 3.21Å; N329-T333 VanDerWaalsContact O-OG1 3.13Å; L330-T333 PolarHBondContact O-N 3.11Å; T333-Y337 WeakPolarHBondContact O-CB 3.49Å; T333-Y337 PolarHBondContact O-N 3.48Å
334	Q	92.4	Very high	91.9	Very high	115 Å²	115	47.9 Å²	47.9	54%	0.537	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-39.5	-179.4	-171	178.1	7.3	0	0	112.7	M37 L330 K332 A338	M37-Q334 HydrophobicContact SD-CB 4.27Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.09Å; L330-Q334 PolarHBondContact O-N 3.45Å; K332-Q334 VanDerWaalsContact C-N 3.32Å; K332-Q334 PolarHBondContact O-N 3.5Å; Q334-A338 WeakPolarHBondContact O-CB 2.99Å; Q334-A338 PolarHBondContact O-N 3.35Å
335	Q	93.4	Very high	92	Very high	95 Å²	95	44.5 Å²	44.5	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-45.4	177.4	-74.4	-179.3	55.7	0	0	112.3	V313 A331 K332 A338 I339	V313-Q335 HydrophobicContact CG1-CB 3.82Å; V313-Q335 HydrophobicContact CG2-CB 4.32Å; A331-Q335 WeakPolarHBondContact O-CG 3.49Å; A331-Q335 PolarHBondContact O-N 3.16Å; A331-Q335 PolarHBondContact O-NE2 3.48Å; K332-Q335 PolarHBondContact O-N 3.28Å; Q335-A338 PolarHBondContact O-N 3.32Å; Q335-I339 PolarHBondContact O-N 3.27Å
336	L	94.3	Very high	92	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-43.6	174.4	-67.2	175.5	0	0	0	111.3	M41 W44 L310 V313 K332 A338 I339 L340	M41-L336 HydrophobicContact CE-CB 3.59Å; M41-L336 HydrophobicContact CE-CD1 4.01Å; M41-L336 HydrophobicContact CE-CG 4.47Å; W44-L336 HydrophobicContact CD2-CD1 4.15Å; W44-L336 HydrophobicContact CE3-CD1 4.31Å; W44-L336 HydrophobicContact CH2-CD1 3.98Å; W44-L336 HydrophobicContact CZ2-CD1 3.78Å; W44-L336 HydrophobicContact CZ3-CD1 4.23Å; L310-L336 HydrophobicContact CD2-CD2 3.72Å; V313-L336 HydrophobicContact CB-CD2 3.87Å; V313-L336 HydrophobicContact CG1-CD2 3.64Å; V313-L336 HydrophobicContact CG1-CG 3.76Å; K332-L336 HydrophobicContact CD-CD1 4.48Å; K332-L336 HydrophobicContact CG-CD1 3.98Å; K332-L336 HydrophobicContact CG-CG 4.4Å; K332-L336 WeakPolarHBondContact O-CG 3.24Å; K332-L336 PolarHBondContact O-N 3.45Å; L336-A338 PolarHBondContact O-N 2.95Å; L336-I339 PolarHBondContact O-N 3.19Å; L336-L340 WeakPolarHBondContact O-CG 3.33Å; L336-L340 PolarHBondContact O-N 3.48Å
337	Y	94.7	Very high	92	Very high	15 Å²	15	36.6 Å²	36.6	6%	0.059	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-43.8	177.5	177	-103.6	0	0	0	112.2	R36 M37 M40 M41 T333 I339 L340 Q341	R36-Y337 PolarHBondContact NH1-OH 3.08Å; M37-Y337 VanDerWaalsContact CA-CE2 3.41Å; M37-Y337 HydrophobicContact CB-CD1 4Å; M37-Y337 HydrophobicContact CB-CD2 3.86Å; M37-Y337 HydrophobicContact CB-CE1 4.06Å; M37-Y337 HydrophobicContact CB-CE2 3.96Å; M37-Y337 HydrophobicContact CB-CG 3.91Å; M37-Y337 HydrophobicContact CG-CD1 3.98Å; M37-Y337 HydrophobicContact CG-CD2 3.89Å; M37-Y337 HydrophobicContact CG-CE2 4.49Å; M37-Y337 HydrophobicContact CG-CG 3.62Å; M37-Y337 HydrophobicContact SD-CD1 4.33Å; M37-Y337 HydrophobicContact SD-CG 4.36Å; M40-Y337 HydrophobicContact CB-CE2 4.44Å; M40-Y337 HydrophobicContact CE-CD2 3.42Å; M40-Y337 VanDerWaalsContact CE-CD2 3.42Å; M40-Y337 HydrophobicContact CE-CE2 3.63Å; M40-Y337 HydrophobicContact CE-CG 4.46Å; M41-Y337 HydrophobicContact CG-CD2 4.2Å; T333-Y337 WeakPolarHBondContact O-CB 3.49Å; T333-Y337 PolarHBondContact O-N 3.48Å; Y337-I339 VanDerWaalsContact C-N 3.34Å; Y337-I339 PolarHBondContact O-N 2.83Å; Y337-L340 PolarHBondContact O-N 2.77Å; Y337-Q341 HydrophobicContact CE1-CB 4.3Å; Y337-Q341 HydrophobicContact CE1-CG 4.49Å; Y337-Q341 HydrophobicContact CE2-CB 4.49Å; Y337-Q341 WeakPolarHBondContact O-CB 3.39Å; Y337-Q341 PolarHBondContact O-N 3.13Å
338	A	94	Very high	91.7	Very high	54 Å²	54	37.4 Å²	37.4	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-59.2	-43.3	179.9	0	0	0	0	0	112.4	Q334 Q335 L336 E342	Q334-A338 WeakPolarHBondContact O-CB 2.99Å; Q334-A338 PolarHBondContact O-N 3.35Å; Q335-A338 PolarHBondContact O-N 3.32Å; L336-A338 PolarHBondContact O-N 2.95Å; A338-E342 PolarHBondContact O-N 2.77Å
339	I	94.2	Very high	91.5	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-47.7	177.8	-59.3	163	0	0	0	110.5	H306 D309 L310 V313 Q335 L336 Y337 Q341 E342 L343	H306-I339 HydrophobicContact CB-CG2 4.11Å; H306-I339 WeakPolarHBondContact CE1-CG2 3.35Å; D309-I339 HydrophobicContact CB-CD1 3.96Å; L310-I339 HydrophobicContact CD1-CG2 4.33Å; L310-I339 HydrophobicContact CD2-CB 3.85Å; L310-I339 HydrophobicContact CD2-CD1 4.01Å; L310-I339 HydrophobicContact CD2-CG2 3.86Å; L310-I339 HydrophobicContact CG-CB 4.38Å; L310-I339 HydrophobicContact CG-CD1 4.38Å; L310-I339 HydrophobicContact CG-CG2 3.84Å; V313-I339 HydrophobicContact CG2-CD1 4.34Å; Q335-I339 PolarHBondContact O-N 3.27Å; L336-I339 PolarHBondContact O-N 3.19Å; Y337-I339 VanDerWaalsContact C-N 3.34Å; Y337-I339 PolarHBondContact O-N 2.83Å; I339-Q341 PolarHBondContact O-N 2.87Å; I339-E342 PolarHBondContact O-N 2.95Å; I339-L343 PolarHBondContact O-N 3.39Å
340	L	94.1	Very high	91.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-37.7	-179.3	-69.6	166.8	0	0	0	112.3	M40 M41 F174 Y177 L310 L336 Y337 E342 L343 T344	M40-L340 HydrophobicContact CE-CB 3.45Å; M40-L340 VanDerWaalsContact CE-CB 3.45Å; M40-L340 HydrophobicContact CE-CD1 4.42Å; M40-L340 HydrophobicContact SD-CB 4.4Å; M41-L340 HydrophobicContact CE-CD1 4.32Å; M41-L340 HydrophobicContact SD-CD1 3.77Å; F174-L340 HydrophobicContact CD2-CD1 3.95Å; F174-L340 HydrophobicContact CE2-CD1 3.67Å; Y177-L340 HydrophobicContact CD2-CD2 3.68Å; Y177-L340 HydrophobicContact CE2-CD2 4.48Å; Y177-L340 HydrophobicContact CG-CD2 3.81Å; L310-L340 HydrophobicContact CD1-CD2 3.97Å; L310-L340 HydrophobicContact CD2-CD2 4.36Å; L310-L340 HydrophobicContact CD2-CG 4.03Å; L336-L340 WeakPolarHBondContact O-CG 3.33Å; L336-L340 PolarHBondContact O-N 3.48Å; Y337-L340 PolarHBondContact O-N 2.77Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 3.34Å; L340-L343 PolarHBondContact O-N 2.72Å; L340-T344 PolarHBondContact O-N 3Å; L340-T344 PolarHBondContact O-OG1 3.4Å; L340-T344 VanDerWaalsContact O-OG1 3.11Å
341	Q	92.4	Very high	90.9	Very high	79 Å²	79	43.2 Å²	43.2	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-39.4	175.6	-178.2	179.1	14	0	0	111.6	Y337 I339 T344 L345	Y337-Q341 HydrophobicContact CE1-CB 4.3Å; Y337-Q341 HydrophobicContact CE1-CG 4.49Å; Y337-Q341 HydrophobicContact CE2-CB 4.49Å; Y337-Q341 WeakPolarHBondContact O-CB 3.39Å; Y337-Q341 PolarHBondContact O-N 3.13Å; I339-Q341 PolarHBondContact O-N 2.87Å; Q341-T344 PolarHBondContact O-N 2.98Å; Q341-L345 WeakPolarHBondContact O-CB 3.37Å; Q341-L345 PolarHBondContact O-N 2.98Å
342	E	91.5	Very high	90.5	Very high	51 Å²	51	49.9 Å²	49.9	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44.5	174	-177.6	166.5	-130.8	0	0	111.2	R299 H306 A338 I339 L340 T344 L345 I346	R299-E342 IonicContact CZ-OE1 2.94Å; R299-E342 VanDerWaalsContact CZ-OE1 3.22Å; R299-E342 IonicContact NH1-OE1 3.52Å; R299-E342 PolarHBondContact NH1-OE1 3.44Å; R299-E342 IonicContact NH2-OE1 2.69Å; R299-E342 PolarHBondContact NH2-OE1 3.25Å; H306-E342 IonicContact CE1-OE2 3.85Å; H306-E342 IonicContact ND1-OE2 2.84Å; H306-E342 IonicContact NE2-OE2 3.96Å; H306-E342 PolarHBondContact NE2-OE2 3.21Å; A338-E342 PolarHBondContact O-N 2.77Å; I339-E342 PolarHBondContact O-N 2.95Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 3.34Å; E342-T344 PolarHBondContact O-N 3.25Å; E342-L345 PolarHBondContact O-N 3.42Å; E342-I346 HydrophobicContact CG-CD1 4.03Å; E342-I346 VanDerWaalsContact O-CD1 3.22Å; E342-I346 WeakPolarHBondContact O-CD1 3.29Å; E342-I346 VanDerWaalsContact O-CG1 3.32Å; E342-I346 WeakPolarHBondContact O-CG1 3.45Å; E342-I346 PolarHBondContact O-N 2.82Å
343	L	92.7	Very high	89.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-42.2	175.9	-63.8	177.6	0	0	0	112.4	F169 Y177 P301 L303 H306 I339 L340 I346 Q347	F169-L343 HydrophobicContact CZ-CB 4.38Å; F169-L343 HydrophobicContact CZ-CD2 4.25Å; Y177-L343 HydrophobicContact CE1-CD1 4.04Å; Y177-L343 HydrophobicContact CE2-CD1 4.3Å; P301-L343 HydrophobicContact CG-CD2 4Å; L303-L343 HydrophobicContact CD1-CD1 4.07Å; L303-L343 HydrophobicContact CD1-CD2 3.92Å; H306-L343 HydrophobicContact CB-CD1 4.36Å; H306-L343 HydrophobicContact CB-CD2 4.21Å; I339-L343 PolarHBondContact O-N 3.39Å; L340-L343 PolarHBondContact O-N 2.72Å; L343-I346 PolarHBondContact O-N 2.99Å; L343-Q347 PolarHBondContact O-N 3.38Å
344	T	89.5	Confident	88.7	Confident	36 Å²	36	58.9 Å²	58.9	22%	0.221	31%	0.314	C	S	.	.	H	α-helix	trans	-65.4	-40.1	175.7	-56.8	0	0	0	0	112.3	L340 Q341 E342 I346 Q347 T348	L340-T344 PolarHBondContact O-N 3Å; L340-T344 PolarHBondContact O-OG1 3.4Å; L340-T344 VanDerWaalsContact O-OG1 3.11Å; Q341-T344 PolarHBondContact O-N 2.98Å; E342-T344 PolarHBondContact O-N 3.25Å; T344-I346 PolarHBondContact O-N 3Å; T344-Q347 WeakPolarHBondContact O-CB 3.3Å; T344-Q347 PolarHBondContact O-N 2.7Å; T344-Q347 VanDerWaalsContact O-N 3.13Å; T344-T348 PolarHBondContact O-N 2.86Å
345	L	89.8	Confident	87.5	Confident	96 Å²	96	55 Å²	55	50%	0.503	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-35.3	176.9	-179	62.9	0	0	0	111.6	Q341 E342 T348 T349	Q341-L345 WeakPolarHBondContact O-CB 3.37Å; Q341-L345 PolarHBondContact O-N 2.98Å; E342-L345 PolarHBondContact O-N 3.42Å; L345-T348 PolarHBondContact O-N 3.24Å; L345-T348 PolarHBondContact O-OG1 3.45Å; L345-T349 PolarHBondContact O-N 2.84Å; L345-T349 PolarHBondContact O-OG1 2.82Å
346	I	88.5	Confident	86.3	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-34.5	177.7	-67.1	154.5	0	0	0	111.3	F169 F292 R299 F300 P301 E342 L343 T344 T348 T349	F169-I346 HydrophobicContact CE1-CB 4.3Å; F169-I346 HydrophobicContact CE1-CG2 3.86Å; F292-I346 HydrophobicContact CZ-CD1 3.83Å; R299-I346 VanDerWaalsContact O-CG2 3.25Å; R299-I346 WeakPolarHBondContact O-CG2 3.35Å; F300-I346 HydrophobicContact CD2-CG2 4.2Å; P301-I346 HydrophobicContact CG-CD1 3.86Å; E342-I346 HydrophobicContact CG-CD1 4.03Å; E342-I346 VanDerWaalsContact O-CD1 3.22Å; E342-I346 WeakPolarHBondContact O-CD1 3.29Å; E342-I346 VanDerWaalsContact O-CG1 3.32Å; E342-I346 WeakPolarHBondContact O-CG1 3.45Å; E342-I346 PolarHBondContact O-N 2.82Å; L343-I346 PolarHBondContact O-N 2.99Å; T344-I346 PolarHBondContact O-N 3Å; I346-T348 VanDerWaalsContact C-N 3.26Å; I346-T348 PolarHBondContact O-N 3.06Å; I346-T349 PolarHBondContact O-N 2.77Å; I346-T349 PolarHBondContact O-OG1 2.87Å
347	Q	87.3	Confident	85.2	Confident	40 Å²	40	54.9 Å²	54.9	19%	0.187	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-23.2	173.8	-65.7	-179.6	-23.7	0	0	113.4	Y166 F169 I172 L343 T344	Y166-Q347 PolarHBondContact OH-O 3.01Å; F169-Q347 HydrophobicContact CD1-CG 3.7Å; F169-Q347 HydrophobicContact CE1-CG 3.35Å; F169-Q347 HydrophobicContact CZ-CG 4.14Å; F169-Q347 PolarHBondContact O-NE2 3.22Å; I172-Q347 PolarHBondContact O-NE2 2.84Å; L343-Q347 PolarHBondContact O-N 3.38Å; T344-Q347 WeakPolarHBondContact O-CB 3.3Å; T344-Q347 PolarHBondContact O-N 2.7Å; T344-Q347 VanDerWaalsContact O-N 3.13Å
348	T	85.9	Confident	83.6	Confident	95 Å²	95	54.8 Å²	54.8	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-89.8	-9.5	178	63.2	0	0	0	0	113.9	T344 L345 I346 P350	T344-T348 PolarHBondContact O-N 2.86Å; L345-T348 PolarHBondContact O-N 3.24Å; L345-T348 PolarHBondContact O-OG1 3.45Å; I346-T348 VanDerWaalsContact C-N 3.26Å; I346-T348 PolarHBondContact O-N 3.06Å; T348-P350 VanDerWaalsContact O-CD 3.25Å; T348-P350 WeakPolarHBondContact O-CD 3.39Å
349	T	87.3	Confident	82.5	Confident	45 Å²	45	52.4 Å²	52.4	28%	0.276	29%	0.285	S	S	.	.	S	Bend	trans	-106.7	93.3	175.9	50.4	0	0	0	0	111.1	F298 L345 I346	F298-T349 WeakPolarHBondContact CD2-O 3.42Å; L345-T349 PolarHBondContact O-N 2.84Å; L345-T349 PolarHBondContact O-OG1 2.82Å; I346-T349 PolarHBondContact O-N 2.77Å; I346-T349 PolarHBondContact O-OG1 2.87Å
350	P	85.6	Confident	81.3	Confident	89 Å²	89	52 Å²	52	58%	0.578	28%	0.283	S	S	*	.			trans	-73.6	149.2	-178.7	29.5	-35.5	0	0	0	113.3	Y166 T348	Y166-P350 HydrophobicContact CE1-CB 4.14Å; Y166-P350 VanDerWaalsContact OH-CA 3.31Å; Y166-P350 WeakPolarHBondContact OH-CA 3.34Å; T348-P350 VanDerWaalsContact O-CD 3.25Å; T348-P350 WeakPolarHBondContact O-CD 3.39Å
351	P	85.6	Confident	80	Confident	17 Å²	17	54 Å²	54	11%	0.11	29%	0.293	C	S	.	.			trans	-70.4	137.7	172.1	29.2	-32.4	0	0	0	110.6	T162 Y166 F298 I353	T162-P351 HydrophobicContact CG2-CB 4.48Å; Y166-P351 VanDerWaalsContact CD1-CD 3.46Å; Y166-P351 HydrophobicContact CD1-CG 3.94Å; Y166-P351 VanDerWaalsContact CE1-CD 3.47Å; Y166-P351 HydrophobicContact CE1-CG 4.42Å; Y166-P351 HydrophobicContact CG-CG 4.01Å; F298-P351 HydrophobicContact CD1-CB 4.08Å; F298-P351 HydrophobicContact CD2-CB 3.81Å; F298-P351 HydrophobicContact CD2-CG 4.35Å; F298-P351 HydrophobicContact CE1-CB 3.95Å; F298-P351 HydrophobicContact CE2-CB 3.68Å; F298-P351 HydrophobicContact CE2-CG 3.89Å; F298-P351 HydrophobicContact CG-CB 4.01Å; F298-P351 HydrophobicContact CZ-CB 3.74Å; F298-P351 HydrophobicContact CZ-CG 4.12Å; P351-I353 VanDerWaalsContact C-N 3.3Å; P351-I353 HydrophobicContact CB-CD1 3.74Å; P351-I353 HydrophobicContact CB-CG1 4.04Å; P351-I353 HydrophobicContact CG-CD1 4.27Å; P351-I353 PolarHBondContact O-N 3.14Å
352	N	81.9	Confident	78.8	Confident	173 Å²	173	50.8 Å²	50.8	93%	0.925	28%	0.279	S	S	*	.			trans	-81.3	74.7	176.6	-172.7	29.5	0	0	0	110.8
353	I	79.8	Confident	77.8	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	27%	0.268	C	S	.	.			trans	-126.7	127	-174.2	-65	172.2	0	0	0	110.3	E159 T162 F163 P351 S355	E159-I353 HydrophobicContact CB-CD1 4.21Å; E159-I353 HydrophobicContact CB-CG1 4.41Å; E159-I353 HydrophobicContact CB-CG2 3.84Å; E159-I353 HydrophobicContact CG-CD1 4.36Å; E159-I353 HydrophobicContact CG-CG1 4.31Å; E159-I353 HydrophobicContact CG-CG2 4.44Å; T162-I353 HydrophobicContact CG2-CD1 3.83Å; F163-I353 HydrophobicContact CB-CG2 4.44Å; P351-I353 VanDerWaalsContact C-N 3.3Å; P351-I353 HydrophobicContact CB-CD1 3.74Å; P351-I353 HydrophobicContact CB-CG1 4.04Å; P351-I353 HydrophobicContact CG-CD1 4.27Å; P351-I353 PolarHBondContact O-N 3.14Å; I353-S355 PolarHBondContact O-N 2.73Å
354	E	68.9	Low	76.6	Confident	182 Å²	182	50.4 Å²	50.4	85%	0.85	28%	0.28	S	S	*	.			trans	-80.9	106	169.6	-69.5	-166.6	169.2	0	0	110.4
355	S	65.5	Low	75.4	Confident	33 Å²	33	49.3 Å²	49.3	23%	0.231	27%	0.273	C	S	.	.			trans	-84.7	128.4	-177.3	63.8	0	0	0	0	113.5	I353	I353-S355 PolarHBondContact O-N 2.73Å
356	N	69.3	Low	74.2	Confident	45 Å²	45	45 Å²	45	24%	0.241	25%	0.251	C	S	.	.			trans	-85	115.4	165.4	-176.3	-12.9	0	0	0	110.5	H160 D358 L359 L360	H160-N356 WeakPolarHBondContact NE2-CB 3.42Å; H160-N356 PolarHBondContact NE2-N 2.93Å; N356-D358 PolarHBondContact O-N 2.82Å; N356-D358 PolarHBondContact OD1-N 3.44Å; N356-L359 HydrophobicContact CB-CB 4.27Å; N356-L359 PolarHBondContact O-N 3.2Å; N356-L360 WeakPolarHBondContact O-CG 3.12Å; N356-L360 PolarHBondContact O-N 3.22Å
357	T	70.1	Confident	73.3	Confident	50 Å²	50	45.2 Å²	45.2	31%	0.307	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-33.4	-179	52.4	0	0	0	0	113.8	N361	T357-N361 PolarHBondContact O-N 3.48Å; T357-N361 PolarHBondContact O-ND2 2.94Å
358	D	62.3	Low	72.2	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-77.3	-40	-173	-61.1	0.5	0	0	0	110.4	N356 N361 L362 K436 N437	N356-D358 PolarHBondContact O-N 2.82Å; N356-D358 PolarHBondContact OD1-N 3.44Å; D358-N361 PolarHBondContact O-N 2.91Å; D358-L362 PolarHBondContact O-N 2.86Å; D358-K436 IonicContact OD1-NZ 2.69Å; D358-K436 PolarHBondContact OD1-NZ 2.86Å; D358-K436 WeakPolarHBondContact OD2-CE 3.31Å; D358-K436 IonicContact OD2-NZ 2.93Å; D358-K436 PolarHBondContact OD2-NZ 3.46Å; D358-N437 PolarHBondContact OD2-ND2 3.29Å
359	L	69.6	Low	71.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-67.9	-37.3	172.7	-176.5	60.5	0	0	0	111.7	L147 L152 H160 N356 L362 L363	L147-L359 HydrophobicContact CD2-CB 4.18Å; L147-L359 HydrophobicContact CD2-CD1 4.1Å; L152-L359 HydrophobicContact CD1-CD2 3.77Å; L152-L359 HydrophobicContact CD2-CD1 4.21Å; L152-L359 HydrophobicContact CD2-CD2 4.19Å; H160-L359 HydrophobicContact CB-CD2 4.48Å; N356-L359 HydrophobicContact CB-CB 4.27Å; N356-L359 PolarHBondContact O-N 3.2Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 PolarHBondContact O-N 3.23Å; L359-L363 HydrophobicContact CD1-CG 4.38Å; L359-L363 HydrophobicContact CG-CD1 4.17Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CB 3.41Å; L359-L363 WeakPolarHBondContact O-CG 3.32Å; L359-L363 PolarHBondContact O-N 3.44Å
360	L	69.9	Low	69.9	Low	17 Å²	17	45.4 Å²	45.4	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-41	172.8	-72.3	177.4	0	0	0	112.5	H160 F163 L164 N356 T364	H160-L360 HydrophobicContact CB-CD2 4.26Å; F163-L360 HydrophobicContact CD1-CD1 3.55Å; F163-L360 HydrophobicContact CD1-CD2 3.97Å; F163-L360 HydrophobicContact CD1-CG 4.42Å; F163-L360 HydrophobicContact CE1-CD1 3.47Å; F163-L360 VanDerWaalsContact CE1-CD1 3.47Å; L164-L360 HydrophobicContact CB-CD2 4.19Å; L164-L360 HydrophobicContact CD1-CD2 4.15Å; N356-L360 WeakPolarHBondContact O-CG 3.12Å; N356-L360 PolarHBondContact O-N 3.22Å; L360-T364 WeakPolarHBondContact O-CB 3.43Å; L360-T364 PolarHBondContact O-N 3.14Å; L360-T364 PolarHBondContact O-OG1 2.82Å
361	N	66.6	Low	68.9	Low	44 Å²	44	41.9 Å²	41.9	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-42	175.8	-68.6	-27	0	0	0	111.1	T357 D358 T364 V365 S433	T357-N361 PolarHBondContact O-N 3.48Å; T357-N361 PolarHBondContact O-ND2 2.94Å; D358-N361 PolarHBondContact O-N 2.91Å; N361-T364 PolarHBondContact O-N 3.32Å; N361-V365 PolarHBondContact O-N 2.7Å; N361-S433 PolarHBondContact ND2-OG 3.04Å
362	L	68	Low	68.4	Low	11 Å²	11	43.2 Å²	43.2	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-57.1	175.2	-172.5	161.8	0	0	0	110.5	L147 D358 L359 T364 V365 S366 F458	L147-L362 HydrophobicContact CB-CD1 4.1Å; L147-L362 HydrophobicContact CD1-CD1 4.25Å; L147-L362 HydrophobicContact CD2-CD1 4.27Å; L147-L362 HydrophobicContact CG-CD1 4.45Å; D358-L362 PolarHBondContact O-N 2.86Å; L359-L362 WeakPolarHBondContact O-CB 3.41Å; L359-L362 PolarHBondContact O-N 3.23Å; L362-T364 VanDerWaalsContact C-N 3.3Å; L362-T364 PolarHBondContact O-N 3.25Å; L362-V365 PolarHBondContact O-N 3.45Å; L362-V365 VanDerWaalsContact O-N 3.16Å; L362-S366 PolarHBondContact O-N 3.37Å; L362-S366 PolarHBondContact O-OG 3.09Å; L362-S366 VanDerWaalsContact O-OG 3.14Å; L362-F458 HydrophobicContact CD1-CE2 4.42Å; L362-F458 HydrophobicContact CD2-CE2 4.42Å; L362-F458 HydrophobicContact CD2-CZ 4.07Å; L362-F458 HydrophobicContact CG-CE2 4Å; L362-F458 HydrophobicContact CG-CZ 3.73Å
363	L	69.9	Low	68.1	Low	3 Å²	3	40 Å²	40	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-41.2	178.9	-72.2	171.4	0	0	0	112.1	L157 H160 W205 L359 V365 S366 L367	L157-L363 HydrophobicContact CD1-CD1 4.25Å; L157-L363 HydrophobicContact CD1-CD2 3.94Å; H160-L363 HydrophobicContact CB-CD1 3.76Å; W205-L363 HydrophobicContact CH2-CD2 4.05Å; W205-L363 HydrophobicContact CZ2-CD2 4.14Å; L359-L363 HydrophobicContact CD1-CG 4.38Å; L359-L363 HydrophobicContact CG-CD1 4.17Å; L359-L363 HydrophobicContact CG-CG 4.48Å; L359-L363 WeakPolarHBondContact O-CB 3.41Å; L359-L363 WeakPolarHBondContact O-CG 3.32Å; L359-L363 PolarHBondContact O-N 3.44Å; L363-V365 VanDerWaalsContact C-N 3.28Å; L363-V365 PolarHBondContact O-N 3.41Å; L363-S366 PolarHBondContact O-N 2.94Å; L363-L367 WeakPolarHBondContact O-CB 3.46Å; L363-L367 WeakPolarHBondContact O-CD1 3.18Å; L363-L367 WeakPolarHBondContact O-CG 3.33Å; L363-L367 PolarHBondContact O-N 3.34Å
364	T	67.5	Low	67.9	Low	41 Å²	41	44.2 Å²	44.2	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-41.5	179.1	-58.8	0	0	0	0	111.8	L164 L360 N361 L362 D368	L164-T364 WeakPolarHBondContact CD1-OG1 3.2Å; L360-T364 WeakPolarHBondContact O-CB 3.43Å; L360-T364 PolarHBondContact O-N 3.14Å; L360-T364 PolarHBondContact O-OG1 2.82Å; N361-T364 PolarHBondContact O-N 3.32Å; L362-T364 VanDerWaalsContact C-N 3.3Å; L362-T364 PolarHBondContact O-N 3.25Å; T364-D368 PolarHBondContact O-N 2.77Å
365	V	63.9	Low	68.4	Low	12 Å²	12	38.7 Å²	38.7	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-84.3	-29.6	179.3	-177.3	0	0	0	0	112.4	N361 L362 L363 L367 D368 H426 M430	N361-V365 PolarHBondContact O-N 2.7Å; L362-V365 PolarHBondContact O-N 3.45Å; L362-V365 VanDerWaalsContact O-N 3.16Å; L363-V365 VanDerWaalsContact C-N 3.28Å; L363-V365 PolarHBondContact O-N 3.41Å; V365-L367 PolarHBondContact O-N 3.33Å; V365-D368 PolarHBondContact O-N 3.06Å; V365-H426 HydrophobicContact CG2-CB 4.28Å; V365-M430 HydrophobicContact CB-CB 4.44Å; V365-M430 HydrophobicContact CB-CE 4.49Å; V365-M430 HydrophobicContact CB-CG 4.29Å; V365-M430 HydrophobicContact CB-SD 3.43Å; V365-M430 WeakPolarHBondContact CB-SD 3.41Å; V365-M430 HydrophobicContact CG1-CE 3.95Å; V365-M430 HydrophobicContact CG1-SD 3.41Å; V365-M430 WeakPolarHBondContact CG1-SD 3.21Å; V365-M430 HydrophobicContact CG2-CB 3.76Å; V365-M430 HydrophobicContact CG2-CG 4.15Å; V365-M430 HydrophobicContact CG2-SD 3.81Å
366	S	65.1	Low	69.1	Low	5 Å²	5	37.1 Å²	37.1	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-34.4	170.3	-57.5	0	0	0	0	112.3	L362 L363 F458	L362-S366 PolarHBondContact O-N 3.37Å; L362-S366 PolarHBondContact O-OG 3.09Å; L362-S366 VanDerWaalsContact O-OG 3.14Å; L363-S366 PolarHBondContact O-N 2.94Å; S366-F458 WeakPolarHBondContact OG-CE1 3.38Å
367	L	69.6	Low	69.9	Low	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-79.8	-21.9	178.4	-67.8	168.5	0	0	0	113.2	L161 L164 L198 S201 V202 W205 L363 V365 Q369	L161-L367 HydrophobicContact CD2-CD1 4.42Å; L164-L367 HydrophobicContact CD2-CD1 3.82Å; L198-L367 HydrophobicContact CD1-CD1 3.93Å; S201-L367 WeakPolarHBondContact CB-O 3.37Å; S201-L367 PolarHBondContact OG-O 3.04Å; V202-L367 HydrophobicContact CB-CD2 4.24Å; V202-L367 HydrophobicContact CG2-CD1 4.28Å; V202-L367 HydrophobicContact CG2-CD2 3.71Å; W205-L367 HydrophobicContact CB-CD2 3.76Å; W205-L367 HydrophobicContact CD2-CD2 4.21Å; W205-L367 HydrophobicContact CE3-CD2 4.26Å; W205-L367 HydrophobicContact CG-CD2 4.01Å; L363-L367 WeakPolarHBondContact O-CB 3.46Å; L363-L367 WeakPolarHBondContact O-CD1 3.18Å; L363-L367 WeakPolarHBondContact O-CG 3.33Å; L363-L367 PolarHBondContact O-N 3.34Å; V365-L367 PolarHBondContact O-N 3.33Å; L367-Q369 PolarHBondContact O-N 2.67Å
368	D	62.9	Low	70.5	Confident	81 Å²	81	38.9 Å²	38.9	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-1.9	178.6	-152	42.7	0	0	0	113.1	T364 V365 Y370	T364-D368 PolarHBondContact O-N 2.77Å; V365-D368 PolarHBondContact O-N 3.06Å; D368-Y370 PolarHBondContact O-N 3.07Å; D368-Y370 VanDerWaalsContact O-N 3.14Å
369	Q	63	Low	71.5	Confident	32 Å²	32	39.9 Å²	39.9	15%	0.15	20%	0.195	C	C	.	.			trans	-84.2	81.7	-176.8	-62.8	-173.7	9.7	0	0	112.9	L367 H371 Y460	L367-Q369 PolarHBondContact O-N 2.67Å; Q369-H371 PolarHBondContact O-ND1 3.41Å; Q369-Y460 VanDerWaalsContact OE1-CD2 3.25Å
370	Y	61.9	Low	72.4	Confident	71 Å²	71	39.7 Å²	39.7	28%	0.278	19%	0.194	S	C	.	.			trans	-67.7	129.8	174.7	-175	-92.7	0	0	0	112.8	D368 T372 P416	D368-Y370 PolarHBondContact O-N 3.07Å; D368-Y370 VanDerWaalsContact O-N 3.14Å; Y370-T372 HydrophobicContact CE1-CG2 4.13Å; Y370-P416 HydrophobicContact CD2-CG 3.91Å; Y370-P416 HydrophobicContact CG-CG 4.1Å
371	H	66.4	Low	73.2	Confident	15 Å²	15	40.6 Å²	40.6	7%	0.069	20%	0.199	C	C	.	.			trans	-126.4	149.3	167	-70.3	73	0	0	0	109.7	Q204 L208 Q369 I376 Y460	Q204-H371 PolarHBondContact NE2-O 2.84Å; Q204-H371 PolarHBondContact OE1-O 3.13Å; L208-H371 WeakPolarHBondContact CD1-ND1 3.47Å; L208-H371 HydrophobicContact CD2-CB 4.29Å; Q369-H371 PolarHBondContact O-ND1 3.41Å; H371-I376 HydrophobicContact CB-CD1 4.1Å; H371-I376 HydrophobicContact CB-CG1 3.83Å; H371-Y460 AromaticContact NE2-CE1 3.86Å
372	T	73.9	Confident	74.1	Confident	46 Å²	46	42.7 Å²	42.7	28%	0.282	21%	0.207	S	C	.	.			trans	-74.6	150	171.2	61.9	0	0	0	0	111.1	Y370 E374 E375 I376	Y370-T372 HydrophobicContact CE1-CG2 4.13Å; T372-E374 PolarHBondContact O-N 3.09Å; T372-E375 WeakPolarHBondContact CB-OE2 3.21Å; T372-E375 PolarHBondContact N-OE2 2.83Å; T372-E375 WeakPolarHBondContact O-CB 3.4Å; T372-E375 PolarHBondContact O-N 3.18Å; T372-E375 VanDerWaalsContact OG1-CG 3.23Å; T372-E375 WeakPolarHBondContact OG1-CG 3.5Å; T372-E375 PolarHBondContact OG1-N 3.14Å; T372-E375 PolarHBondContact OG1-OE2 3.31Å; T372-I376 WeakPolarHBondContact O-CG1 3.42Å; T372-I376 PolarHBondContact O-N 2.91Å
373	E	75.6	Confident	75	Confident	104 Å²	104	46 Å²	46	49%	0.486	22%	0.219	S	C	.	.	H	α-helix	trans	-54.1	-37.9	176	-69.9	157.2	-132.8	0	0	112.3	I376 Y377 S413	E373-I376 PolarHBondContact O-N 3.4Å; E373-Y377 VanDerWaalsContact O-CB 3.31Å; E373-Y377 WeakPolarHBondContact O-CB 3.38Å; E373-Y377 PolarHBondContact O-N 3.31Å; E373-S413 PolarHBondContact OE1-OG 2.79Å
374	E	76.4	Confident	75.9	Confident	113 Å²	113	46.5 Å²	46.5	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-42.7	175.3	-177.7	59.3	-152.3	0	0	111.9	T372 I376 Y377 Q378	T372-E374 PolarHBondContact O-N 3.09Å; E374-I376 PolarHBondContact O-N 3.01Å; E374-Y377 PolarHBondContact O-N 3.29Å; E374-Q378 HydrophobicContact CG-CG 4.44Å; E374-Q378 WeakPolarHBondContact O-CB 3.43Å; E374-Q378 VanDerWaalsContact O-CG 3.24Å; E374-Q378 WeakPolarHBondContact O-CG 3.27Å; E374-Q378 PolarHBondContact O-N 3.33Å; E374-Q378 WeakPolarHBondContact OE1-CG 3.41Å; E374-Q378 PolarHBondContact OE1-NE2 3.45Å
375	E	79	Confident	76.9	Confident	65 Å²	65	49.1 Å²	49.1	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-43.8	175.3	-74.8	161.6	142.3	0	0	111.3	T372 Q378 M379	T372-E375 WeakPolarHBondContact CB-OE2 3.21Å; T372-E375 PolarHBondContact N-OE2 2.83Å; T372-E375 WeakPolarHBondContact O-CB 3.4Å; T372-E375 PolarHBondContact O-N 3.18Å; T372-E375 VanDerWaalsContact OG1-CG 3.23Å; T372-E375 WeakPolarHBondContact OG1-CG 3.5Å; T372-E375 PolarHBondContact OG1-N 3.14Å; T372-E375 PolarHBondContact OG1-OE2 3.31Å; E375-Q378 PolarHBondContact O-N 3.36Å; E375-M379 WeakPolarHBondContact O-CG 3.42Å; E375-M379 PolarHBondContact O-N 3.37Å
376	I	80.1	Confident	77.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-41.6	176.5	-58.5	176	0	0	0	110.6	Q204 Q207 L208 L211 H371 T372 E373 E374 M379 S380	Q204-I376 HydrophobicContact CB-CD1 4.45Å; Q204-I376 HydrophobicContact CG-CD1 4.13Å; Q207-I376 HydrophobicContact CB-CG2 4.1Å; L208-I376 HydrophobicContact CD2-CG1 4.14Å; L211-I376 HydrophobicContact CD1-CG2 3.62Å; L211-I376 WeakPolarHBondContact CD1-O 3.29Å; H371-I376 HydrophobicContact CB-CD1 4.1Å; H371-I376 HydrophobicContact CB-CG1 3.83Å; T372-I376 WeakPolarHBondContact O-CG1 3.42Å; T372-I376 PolarHBondContact O-N 2.91Å; E373-I376 PolarHBondContact O-N 3.4Å; E374-I376 PolarHBondContact O-N 3.01Å; I376-M379 WeakPolarHBondContact O-CB 3.28Å; I376-M379 PolarHBondContact O-N 3.33Å; I376-S380 PolarHBondContact O-N 3.01Å
377	Y	86.6	Confident	78.4	Confident	52 Å²	52	64.8 Å²	64.8	20%	0.204	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-40.5	178	-166.4	-99.7	0	0	0	112.2	S253 E373 E374 S380 L381 R386	S253-Y377 WeakPolarHBondContact OG-CA 3.09Å; S253-Y377 PolarHBondContact OG-N 3.21Å; E373-Y377 VanDerWaalsContact O-CB 3.31Å; E373-Y377 WeakPolarHBondContact O-CB 3.38Å; E373-Y377 PolarHBondContact O-N 3.31Å; E374-Y377 PolarHBondContact O-N 3.29Å; Y377-S380 WeakPolarHBondContact O-CB 3.23Å; Y377-S380 PolarHBondContact O-N 3.35Å; Y377-S380 VanDerWaalsContact O-N 3.17Å; Y377-L381 HydrophobicContact CD1-CD1 3.81Å; Y377-L381 HydrophobicContact CD1-CG 4.16Å; Y377-L381 HydrophobicContact CE1-CD1 3.69Å; Y377-L381 HydrophobicContact CE1-CD2 4.23Å; Y377-L381 HydrophobicContact CE1-CG 3.95Å; Y377-L381 WeakPolarHBondContact O-CG 3.3Å; Y377-L381 PolarHBondContact O-N 3.42Å; Y377-R386 PolarHBondContact OH-NH2 3.24Å
378	Q	82.9	Confident	77.4	Confident	79 Å²	79	70 Å²	70	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-39.5	173.8	-69.9	-61.2	-24.6	0	0	111.8	E374 E375 S380 L381 Q382	E374-Q378 HydrophobicContact CG-CG 4.44Å; E374-Q378 WeakPolarHBondContact O-CB 3.43Å; E374-Q378 VanDerWaalsContact O-CG 3.24Å; E374-Q378 WeakPolarHBondContact O-CG 3.27Å; E374-Q378 PolarHBondContact O-N 3.33Å; E374-Q378 WeakPolarHBondContact OE1-CG 3.41Å; E374-Q378 PolarHBondContact OE1-NE2 3.45Å; E375-Q378 PolarHBondContact O-N 3.36Å; Q378-S380 VanDerWaalsContact C-N 3.3Å; Q378-S380 PolarHBondContact O-N 2.79Å; Q378-L381 PolarHBondContact O-N 2.89Å; Q378-Q382 VanDerWaalsContact O-CG 3.27Å; Q378-Q382 WeakPolarHBondContact O-CG 3.47Å; Q378-Q382 PolarHBondContact O-N 3.45Å
379	M	82.6	Confident	76.4	Confident	35 Å²	35	70.6 Å²	70.6	17%	0.172	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-41.8	170.3	-74.8	-173.5	64.3	0	0	111.5	L208 L211 E375 I376 Q382 R383 Y460	L208-M379 HydrophobicContact CD2-SD 4.49Å; L211-M379 HydrophobicContact CB-CE 4.17Å; L211-M379 HydrophobicContact CD1-CB 4.07Å; E375-M379 WeakPolarHBondContact O-CG 3.42Å; E375-M379 PolarHBondContact O-N 3.37Å; I376-M379 WeakPolarHBondContact O-CB 3.28Å; I376-M379 PolarHBondContact O-N 3.33Å; M379-Q382 PolarHBondContact O-N 3.38Å; M379-R383 WeakPolarHBondContact O-CG 3.48Å; M379-R383 PolarHBondContact O-N 3.01Å; M379-Y460 HydrophobicContact CE-CE1 3.96Å; M379-Y460 WeakPolarHBondContact CE-OH 3.31Å; M379-Y460 HydrophobicContact SD-CE1 4.17Å
380	S	88.7	Confident	75.2	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.5	-44.7	174.1	-178	0	0	0	0	112.9	S253 R256 L257 I376 Y377 Q378 Q382 R383 E384	S253-S380 WeakPolarHBondContact O-CB 3.41Å; S253-S380 PolarHBondContact O-OG 2.81Å; R256-S380 VanDerWaalsContact CD-OG 3.28Å; R256-S380 WeakPolarHBondContact CD-OG 3.46Å; R256-S380 WeakPolarHBondContact CG-OG 3.35Å; R256-S380 PolarHBondContact NH1-O 3.15Å; R256-S380 PolarHBondContact NH1-OG 3.22Å; L257-S380 WeakPolarHBondContact CD2-OG 3.21Å; I376-S380 PolarHBondContact O-N 3.01Å; Y377-S380 WeakPolarHBondContact O-CB 3.23Å; Y377-S380 PolarHBondContact O-N 3.35Å; Y377-S380 VanDerWaalsContact O-N 3.17Å; Q378-S380 VanDerWaalsContact C-N 3.3Å; Q378-S380 PolarHBondContact O-N 2.79Å; S380-Q382 VanDerWaalsContact C-N 3.3Å; S380-Q382 PolarHBondContact O-N 2.86Å; S380-R383 PolarHBondContact O-N 3.35Å; S380-R383 VanDerWaalsContact O-N 3.15Å; S380-E384 PolarHBondContact O-N 3.33Å
381	L	86.9	Confident	74.1	Confident	35 Å²	35	80.4 Å²	80.4	18%	0.183	41%	0.408	C	S	.	.	H	α-helix	trans	-62.2	-35.3	175.4	-71.1	172.7	0	0	0	112.5	Y377 Q378 E384 P385 R386	Y377-L381 HydrophobicContact CD1-CD1 3.81Å; Y377-L381 HydrophobicContact CD1-CG 4.16Å; Y377-L381 HydrophobicContact CE1-CD1 3.69Å; Y377-L381 HydrophobicContact CE1-CD2 4.23Å; Y377-L381 HydrophobicContact CE1-CG 3.95Å; Y377-L381 WeakPolarHBondContact O-CG 3.3Å; Y377-L381 PolarHBondContact O-N 3.42Å; Q378-L381 PolarHBondContact O-N 2.89Å; L381-E384 CarbonylContact O-C 3.6Å; L381-P385 VanDerWaalsContact O-CA 3.28Å; L381-P385 WeakPolarHBondContact O-CA 3.39Å; L381-P385 VanDerWaalsContact O-N 3.15Å; L381-R386 HydrophobicContact CD2-CG 3.96Å
382	Q	85.7	Confident	72.7	Confident	89 Å²	89	87.4 Å²	87.4	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-69.5	-30.5	174.5	-69.7	166.7	19.2	0	0	112.8	Q378 M379 S380	Q378-Q382 VanDerWaalsContact O-CG 3.27Å; Q378-Q382 WeakPolarHBondContact O-CG 3.47Å; Q378-Q382 PolarHBondContact O-N 3.45Å; M379-Q382 PolarHBondContact O-N 3.38Å; S380-Q382 VanDerWaalsContact C-N 3.3Å; S380-Q382 PolarHBondContact O-N 2.86Å
383	R	85.3	Confident	70.9	Confident	80 Å²	80	93.3 Å²	93.3	30%	0.302	47%	0.47	S	S	.	.	H	α-helix	trans	-78.6	-41.9	176.8	-68.6	-53.9	-173.8	-128.2	-2.3	113.4	L211 S212 M379 S380	L211-R383 HydrophobicContact CD2-CG 4.2Å; L211-R383 VanDerWaalsContact O-CZ 3.31Å; L211-R383 PolarHBondContact O-NE 3.35Å; L211-R383 PolarHBondContact O-NH2 3.25Å; S212-R383 PolarHBondContact O-NH2 3.48Å; M379-R383 WeakPolarHBondContact O-CG 3.48Å; M379-R383 PolarHBondContact O-N 3.01Å; S380-R383 PolarHBondContact O-N 3.35Å; S380-R383 VanDerWaalsContact O-N 3.15Å
384	E	89.7	Confident	68.9	Low	13 Å²	13	93.3 Å²	93.3	6%	0.061	48%	0.482	C	S	.	.	S	Bend	trans	-137.6	94.1	176.2	-68.3	-179.4	-150.6	0	0	108.7	R219 R256 L257 K258 D259 T260 S380 L381	R219-E384 IonicContact CZ-OE1 3.16Å; R219-E384 IonicContact NE-OE1 2.77Å; R219-E384 IonicContact NH2-OE1 3.14Å; R219-E384 PolarHBondContact NH2-OE1 2.96Å; R256-E384 VanDerWaalsContact CZ-O 3.3Å; R256-E384 PolarHBondContact NH1-O 2.85Å; R256-E384 PolarHBondContact NH2-O 3.08Å; L257-E384 WeakPolarHBondContact CA-OE2 3.39Å; L257-E384 HydrophobicContact CD2-CB 3.83Å; L257-E384 HydrophobicContact CD2-CG 3.88Å; K258-E384 PolarHBondContact N-OE2 3.45Å; D259-E384 PolarHBondContact N-OE2 3.09Å; T260-E384 WeakPolarHBondContact CB-OE1 3.23Å; T260-E384 PolarHBondContact N-OE1 3.29Å; T260-E384 VanDerWaalsContact N-OE1 3.08Å; T260-E384 PolarHBondContact OG1-OE1 2.93Å; S380-E384 PolarHBondContact O-N 3.33Å; L381-E384 CarbonylContact O-C 3.6Å
385	P	89.2	Confident	66.7	Low	97 Å²	97	92.8 Å²	92.8	63%	0.63	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-58.9	151.3	177	-26.1	35.6	0	0	0	112.1	L381 K387	L381-P385 VanDerWaalsContact O-CA 3.28Å; L381-P385 WeakPolarHBondContact O-CA 3.39Å; L381-P385 VanDerWaalsContact O-N 3.15Å; P385-K387 PolarHBondContact O-N 3.31Å
386	R	84.4	Confident	64.6	Low	172 Å²	172	96 Å²	96	65%	0.649	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.9	125.4	169.1	-66	-177.7	-176.6	177	1.2	108	Y377 L381	Y377-R386 PolarHBondContact OH-NH2 3.24Å; L381-R386 HydrophobicContact CD2-CG 3.96Å
387	K	76.1	Confident	62.2	Low	173 Å²	173	102 Å²	102	75%	0.752	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.9	172.9	-68	179.5	-178.8	174.9	0	107.5	P385 A389	P385-K387 PolarHBondContact O-N 3.31Å; K387-A389 PolarHBondContact O-N 3.25Å
388	P	48.9	Very low	59.7	Low	116 Å²	116	105 Å²	105	75%	0.753	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-60.1	134.8	173.7	25.8	-32.6	0	0	0	107.8	V390	P388-V390 PolarHBondContact O-N 2.69Å
389	A	40.2	Very low	57.3	Low	95 Å²	95	105.2 Å²	105.2	79%	0.785	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-58.2	116.3	174.9	0	0	0	0	0	108.2	K387 Q391	K387-A389 PolarHBondContact O-N 3.25Å; A389-Q391 PolarHBondContact O-N 3.07Å
390	V	39.5	Very low	54.9	Low	122 Å²	122	109.5 Å²	109.5	74%	0.739	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-59.9	122.9	165.8	176.9	0	0	0	0	105.7	P388 Q392	P388-V390 PolarHBondContact O-N 2.69Å; V390-Q392 VanDerWaalsContact C-N 3.29Å; V390-Q392 PolarHBondContact O-N 3.39Å
391	Q	38.1	Very low	51.9	Low	187 Å²	187	117.7 Å²	117.7	87%	0.874	66%	0.664	S	S	*	*			trans	-63.6	92.4	176	-75.6	176.8	-30	0	0	109.4	A389	A389-Q391 PolarHBondContact O-N 3.07Å
392	Q	36	Very low	49.2	Very low	161 Å²	161	122 Å²	122	75%	0.752	69%	0.694	S	S	*	*			trans	-100.7	125.8	156.9	-70.7	-170.1	-17.3	0	0	107.1	V390 S394	V390-Q392 VanDerWaalsContact C-N 3.29Å; V390-Q392 PolarHBondContact O-N 3.39Å; Q392-S394 PolarHBondContact O-N 2.58Å
393	N	36.8	Very low	46.6	Very low	171 Å²	171	127.3 Å²	127.3	91%	0.914	72%	0.716	S	S	*	*			trans	-71.1	96.6	-179.9	-72.4	-21.7	0	0	0	109.8
394	S	33.4	Very low	44	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	74%	0.736	S	S	*	*			trans	-149.6	147.1	163.1	52.1	0	0	0	0	109.8	Q392	Q392-S394 PolarHBondContact O-N 2.58Å
395	S	30.5	Very low	41.5	Very low	103 Å²	103	132 Å²	132	72%	0.72	76%	0.758	S	S	*	*			trans	-57.4	158.7	-170.8	14.2	0	0	0	0	114.6	T397	S395-T397 PolarHBondContact O-N 3.4Å
396	P	34.9	Very low	39.1	Very low	131 Å²	131	133.2 Å²	133.2	85%	0.851	76%	0.757	S	S	*	*			trans	-72.3	101.4	-176.8	30.3	-34.7	0	0	0	111.4
397	T	29.7	Very low	37.4	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-77.3	136.8	158.6	-38.7	0	0	0	0	108.4	S395 A399	S395-T397 PolarHBondContact O-N 3.4Å; T397-A399 PolarHBondContact O-N 2.88Å
398	P	34.8	Very low	35.8	Very low	115 Å²	115	121.2 Å²	121.2	75%	0.747	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-55.3	137.8	172.9	-24	34	0	0	0	110.6
399	A	31.6	Very low	35.7	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-61.3	136.5	174.5	0	0	0	0	0	109.2	T397 E401	T397-A399 PolarHBondContact O-N 2.88Å; A399-E401 PolarHBondContact O-N 3.3Å
400	P	32.9	Very low	36.2	Very low	126 Å²	126	120.9 Å²	120.9	82%	0.818	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-61	128.3	171.6	26	-32.4	0	0	0	108.4
401	E	25.7	Very low	36.4	Very low	172 Å²	172	115.5 Å²	115.5	80%	0.804	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-52.8	147.1	179.4	-65.9	-176.9	151.3	0	0	110.9	A399 K403	A399-E401 PolarHBondContact O-N 3.3Å; E401-K403 PolarHBondContact O-N 3.08Å
402	P	30.2	Very low	36.5	Very low	125 Å²	125	112.3 Å²	112.3	81%	0.812	65%	0.645	S	S	*	*			trans	-58.3	115.7	173.2	26	-33	0	0	0	108.1	S404	P402-S404 PolarHBondContact O-N 3.18Å
403	K	30.1	Very low	36.7	Very low	201 Å²	201	106.4 Å²	106.4	87%	0.874	62%	0.621	S	S	*	*			trans	-49.8	118.5	174	-74.7	-172.3	174.9	-172.5	0	108.1	E401 T405	E401-K403 PolarHBondContact O-N 3.08Å; K403-T405 PolarHBondContact O-N 3.19Å
404	S	30.7	Very low	36.9	Very low	103 Å²	103	100.7 Å²	100.7	72%	0.72	59%	0.592	S	S	*	*			trans	-45.8	128	177.2	-178	0	0	0	0	109.6	P402 M406	P402-S404 PolarHBondContact O-N 3.18Å; S404-M406 PolarHBondContact O-N 3.29Å; S404-M406 VanDerWaalsContact O-N 3.13Å
405	T	37	Very low	37.3	Very low	87 Å²	87	103.4 Å²	103.4	53%	0.534	59%	0.591	S	S	.	*			trans	-58.9	116	172.9	32.3	0	0	0	0	108	K403 I407	K403-T405 PolarHBondContact O-N 3.19Å; T405-I407 PolarHBondContact O-N 3.3Å
406	M	39.5	Very low	37.9	Very low	124 Å²	124	100.7 Å²	100.7	61%	0.611	57%	0.571	S	S	*	*	S	Bend	trans	-69.9	27.3	-177.5	-68.9	-175.5	158.3	0	0	114.2	S281 S404	S281-M406 PolarHBondContact N-O 2.95Å; S404-M406 PolarHBondContact O-N 3.29Å; S404-M406 VanDerWaalsContact O-N 3.13Å
407	I	49	Very low	38.2	Very low	28 Å²	28	101.8 Å²	101.8	14%	0.144	57%	0.57	C	S	.	*	S	Bend	trans	-131.6	101.2	-176	-61.6	179.6	0	0	0	103.6	M243 V246 T405 E409	M243-I407 HydrophobicContact CE-CG2 3.63Å; M243-I407 HydrophobicContact SD-CG2 4.21Å; V246-I407 HydrophobicContact CG1-CD1 4.1Å; T405-I407 PolarHBondContact O-N 3.3Å; I407-E409 PolarHBondContact O-N 2.88Å
408	D	42.9	Very low	39	Very low	64 Å²	64	98 Å²	98	34%	0.342	55%	0.551	S	S	.	*			trans	-60.5	124.8	177.2	-58.7	-11.7	0	0	0	108.2	S281 K308 W410	S281-D408 VanDerWaalsContact CB-CG 3.46Å; S281-D408 VanDerWaalsContact CB-OD1 3.28Å; S281-D408 WeakPolarHBondContact CB-OD1 3.28Å; S281-D408 WeakPolarHBondContact CB-OD2 3.49Å; S281-D408 PolarHBondContact OG-OD1 3.23Å; K308-D408 IonicContact NZ-OD2 3.3Å; K308-D408 PolarHBondContact NZ-OD2 3.4Å; D408-W410 PolarHBondContact O-N 3.07Å
409	E	46.5	Very low	39.7	Very low	145 Å²	145	95.4 Å²	95.4	68%	0.678	53%	0.531	S	S	*	.			trans	-76.1	78	175.5	-168.8	161.2	-135.7	0	0	109.7	I407 A411	I407-E409 PolarHBondContact O-N 2.88Å; E409-A411 PolarHBondContact O-N 3.04Å
410	W	50.3	Low	40.7	Very low	60 Å²	60	96.1 Å²	96.1	23%	0.227	53%	0.529	C	S	.	.			trans	-70.6	-9.5	-176.5	66.4	-89.9	0	0	0	113.9	I196 F199 L307 D408	I196-W410 HydrophobicContact CD1-CZ3 4.46Å; I196-W410 HydrophobicContact CG1-CH2 4.31Å; I196-W410 HydrophobicContact CG1-CZ3 4.12Å; F199-W410 AromaticContact CD1-CZ2 3.82Å; F199-W410 HydrophobicContact CD1-CZ2 3.82Å; F199-W410 HydrophobicContact CD2-CZ2 4.28Å; F199-W410 AromaticContact CE1-CE2 3.96Å; F199-W410 AromaticContact CE1-CZ2 3.77Å; F199-W410 HydrophobicContact CE1-CZ2 3.77Å; F199-W410 AromaticContact CE1-NE1 3.77Å; F199-W410 HydrophobicContact CE2-CZ2 4.21Å; F199-W410 HydrophobicContact CG-CZ2 4.1Å; F199-W410 AromaticContact CZ-CZ2 3.98Å; F199-W410 HydrophobicContact CZ-CZ2 3.98Å; F199-W410 AromaticContact CZ-NE1 3.72Å; L307-W410 HydrophobicContact CD1-CZ3 4.27Å; D408-W410 PolarHBondContact O-N 3.07Å
411	A	42.9	Very low	41.8	Very low	8 Å²	8	94.8 Å²	94.8	7%	0.066	52%	0.519	C	S	.	.	S	Bend	trans	-121.1	97	179.5	0	0	0	0	0	109.9	I196 E409 S413	I196-A411 HydrophobicContact CG2-CB 3.59Å; E409-A411 PolarHBondContact O-N 3.04Å; A411-S413 PolarHBondContact O-N 2.88Å
412	V	41.7	Very low	43.3	Very low	120 Å²	120	87.7 Å²	87.7	73%	0.727	49%	0.486	S	S	*	.			trans	-52.3	135.5	167.2	176.1	0	0	0	0	108.8	V414	V412-V414 VanDerWaalsContact C-N 3.29Å; V412-V414 WeakPolarHBondContact O-CG2 3.45Å; V412-V414 PolarHBondContact O-N 3.3Å
413	S	38.7	Very low	44.4	Very low	38 Å²	38	82.7 Å²	82.7	27%	0.266	45%	0.452	S	S	.	.			trans	-58.8	83.4	177.1	-77	0	0	0	0	112.4	E373 A411 K415	E373-S413 PolarHBondContact OE1-OG 2.79Å; A411-S413 PolarHBondContact O-N 2.88Å; S413-K415 PolarHBondContact O-N 3.06Å
414	V	42.3	Very low	45.9	Very low	50 Å²	50	77.9 Å²	77.9	30%	0.303	43%	0.431	S	S	.	.			trans	-66.4	119.4	170.6	-173.3	0	0	0	0	107.8	E193 V412 P416	E193-V414 HydrophobicContact CG-CG1 4.14Å; E193-V414 WeakPolarHBondContact OE1-CG1 3.11Å; V412-V414 VanDerWaalsContact C-N 3.29Å; V412-V414 WeakPolarHBondContact O-CG2 3.45Å; V412-V414 PolarHBondContact O-N 3.3Å; V414-P416 WeakPolarHBondContact O-CD 3.39Å
415	K	42.1	Very low	47.3	Very low	161 Å²	161	76.8 Å²	76.8	70%	0.7	41%	0.413	S	S	*	.			trans	-64.8	118.8	175.1	-70.3	-179	-178.7	174.5	0	108.6	S413 N417	S413-K415 PolarHBondContact O-N 3.06Å; K415-N417 PolarHBondContact O-N 2.94Å; K415-N417 VanDerWaalsContact O-N 3.09Å
416	P	42.1	Very low	48.3	Very low	46 Å²	46	74.2 Å²	74.2	30%	0.299	40%	0.395	S	S	.	.			trans	-67.6	113.5	-176.5	25.8	-33.2	0	0	0	110.7	T197 Y370 V414 A418	T197-P416 HydrophobicContact CG2-CB 4.11Å; Y370-P416 HydrophobicContact CD2-CG 3.91Å; Y370-P416 HydrophobicContact CG-CG 4.1Å; V414-P416 WeakPolarHBondContact O-CD 3.39Å; P416-A418 PolarHBondContact O-N 3.18Å
417	N	41.9	Very low	49.3	Very low	153 Å²	153	68.7 Å²	68.7	82%	0.818	37%	0.368	S	S	*	.			trans	-76.2	76.3	163.3	-82.7	-33.9	0	0	0	108.9	K415 D419	K415-N417 PolarHBondContact O-N 2.94Å; K415-N417 VanDerWaalsContact O-N 3.09Å; N417-D419 PolarHBondContact O-N 2.88Å
418	A	45.9	Very low	50.1	Low	47 Å²	47	71 Å²	71	39%	0.388	38%	0.378	S	S	.	.			trans	-70.3	121.7	-178.4	0	0	0	0	0	110.8	P416 P420 I423	P416-A418 PolarHBondContact O-N 3.18Å; A418-P420 WeakPolarHBondContact O-CD 3.36Å; A418-I423 HydrophobicContact CB-CD1 3.43Å; A418-I423 VanDerWaalsContact CB-CD1 3.43Å; A418-I423 HydrophobicContact CB-CG1 4.06Å
419	D	50.2	Low	51	Low	61 Å²	61	70.9 Å²	70.9	33%	0.326	38%	0.375	S	S	.	.			trans	-68.8	117.2	179.2	175.9	-22.2	0	0	0	110.5	N417 T421 I422 I423	N417-D419 PolarHBondContact O-N 2.88Å; D419-T421 PolarHBondContact O-N 3.06Å; D419-T421 VanDerWaalsContact O-N 3.09Å; D419-T421 WeakPolarHBondContact OD1-CB 3.25Å; D419-T421 PolarHBondContact OD1-N 2.9Å; D419-T421 PolarHBondContact OD1-OG1 3.09Å; D419-T421 PolarHBondContact OD2-OG1 3.17Å; D419-I422 HydrophobicContact CB-CB 4.18Å; D419-I422 HydrophobicContact CB-CD1 3.78Å; D419-I422 HydrophobicContact CB-CG1 4.26Å; D419-I422 PolarHBondContact O-N 3.28Å; D419-I422 WeakPolarHBondContact OD2-CD1 3.35Å; D419-I423 WeakPolarHBondContact O-CG1 3.17Å; D419-I423 PolarHBondContact O-N 2.9Å
420	P	51.6	Low	51.7	Low	100 Å²	100	64 Å²	64	65%	0.649	34%	0.342	S	S	*	.	H	α-helix	trans	-57.3	-29.4	-176.2	-25.5	34.8	0	0	0	114.5	A418 K424	A418-P420 WeakPolarHBondContact O-CD 3.36Å; P420-K424 WeakPolarHBondContact O-CB 3.35Å; P420-K424 PolarHBondContact O-N 3.24Å
421	T	56.1	Low	52.5	Low	98 Å²	98	61.1 Å²	61.1	60%	0.601	33%	0.332	S	S	*	.	H	α-helix	trans	-73.9	-35.5	-179	71.1	0	0	0	0	111.8	D419 K425	D419-T421 PolarHBondContact O-N 3.06Å; D419-T421 VanDerWaalsContact O-N 3.09Å; D419-T421 WeakPolarHBondContact OD1-CB 3.25Å; D419-T421 PolarHBondContact OD1-N 2.9Å; D419-T421 PolarHBondContact OD1-OG1 3.09Å; D419-T421 PolarHBondContact OD2-OG1 3.17Å; T421-K425 WeakPolarHBondContact O-CB 3.21Å; T421-K425 PolarHBondContact O-N 3.17Å
422	I	57.2	Low	53.6	Low	23 Å²	23	65.4 Å²	65.4	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-74	-43.6	176.7	-72.3	162.9	0	0	0	110	V132 D419 K425 H426	V132-I422 HydrophobicContact CB-CD1 3.53Å; V132-I422 HydrophobicContact CB-CG1 4.01Å; V132-I422 HydrophobicContact CG1-CD1 3.68Å; V132-I422 HydrophobicContact CG1-CG1 4.01Å; V132-I422 HydrophobicContact CG1-CG2 3.73Å; V132-I422 HydrophobicContact CG2-CD1 3.52Å; D419-I422 HydrophobicContact CB-CB 4.18Å; D419-I422 HydrophobicContact CB-CD1 3.78Å; D419-I422 HydrophobicContact CB-CG1 4.26Å; D419-I422 PolarHBondContact O-N 3.28Å; D419-I422 WeakPolarHBondContact OD2-CD1 3.35Å; I422-K425 PolarHBondContact O-N 2.81Å; I422-H426 PolarHBondContact O-N 2.58Å; I422-H426 PolarHBondContact O-ND1 3.28Å
423	I	54.3	Low	54.5	Low	19 Å²	19	60.1 Å²	60.1	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-56.4	-52	175.3	-63.3	166.5	0	0	0	110.1	A418 D419 K425 H426 I427	A418-I423 HydrophobicContact CB-CD1 3.43Å; A418-I423 VanDerWaalsContact CB-CD1 3.43Å; A418-I423 HydrophobicContact CB-CG1 4.06Å; D419-I423 WeakPolarHBondContact O-CG1 3.17Å; D419-I423 PolarHBondContact O-N 2.9Å; I423-K425 VanDerWaalsContact C-N 3.35Å; I423-K425 PolarHBondContact O-N 3.21Å; I423-H426 PolarHBondContact O-N 2.94Å; I423-H426 VanDerWaalsContact O-N 3.09Å; I423-I427 HydrophobicContact CG2-CD1 3.56Å; I423-I427 HydrophobicContact CG2-CG1 4.31Å; I423-I427 WeakPolarHBondContact O-CG1 3.11Å; I423-I427 PolarHBondContact O-N 3.29Å
424	K	61.7	Low	55.7	Low	101 Å²	101	58.4 Å²	58.4	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-55.1	-48.1	178	177.6	169.5	172.9	176.4	0	112.4	P420 H426 I427 E428 L485	P420-K424 WeakPolarHBondContact O-CB 3.35Å; P420-K424 PolarHBondContact O-N 3.24Å; K424-H426 VanDerWaalsContact C-N 3.29Å; K424-H426 PolarHBondContact O-N 2.94Å; K424-I427 PolarHBondContact O-N 3.44Å; K424-E428 WeakPolarHBondContact CE-OE1 3.18Å; K424-E428 HydrophobicContact CG-CG 4.46Å; K424-E428 IonicContact NZ-OE1 2.68Å; K424-E428 WeakPolarHBondContact O-CG 3.4Å; K424-E428 PolarHBondContact O-N 2.89Å; K424-L485 HydrophobicContact CB-CD2 3.83Å; K424-L485 HydrophobicContact CD-CD1 4.48Å; K424-L485 HydrophobicContact CG-CD1 4.39Å; K424-L485 HydrophobicContact CG-CD2 4.05Å
425	K	59.8	Low	56.9	Low	80 Å²	80	56 Å²	56	35%	0.348	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-26.2	179.6	-174.3	-174.8	174.2	-159.1	0	113.3	V132 T133 T421 I422 I423 K429	V132-K425 PolarHBondContact O-NZ 3.03Å; T133-K425 PolarHBondContact O-NZ 3.31Å; T133-K425 PolarHBondContact OG1-NZ 3.38Å; T133-K425 VanDerWaalsContact OG1-NZ 3.12Å; T421-K425 WeakPolarHBondContact O-CB 3.21Å; T421-K425 PolarHBondContact O-N 3.17Å; I422-K425 PolarHBondContact O-N 2.81Å; I423-K425 VanDerWaalsContact C-N 3.35Å; I423-K425 PolarHBondContact O-N 3.21Å; K425-K429 WeakPolarHBondContact O-CD 3.19Å; K425-K429 WeakPolarHBondContact O-CG 3.35Å
426	H	57	Low	58.1	Low	33 Å²	33	53.1 Å²	53.1	15%	0.153	28%	0.279	C	S	.	.	H	α-helix	trans	-76.6	-45.2	170	-77.6	136.2	0	0	0	111.8	T133 V365 I422 I423 K424 E428 K429 M430	T133-H426 WeakPolarHBondContact CG2-NE2 3.45Å; V365-H426 HydrophobicContact CG2-CB 4.28Å; I422-H426 PolarHBondContact O-N 2.58Å; I422-H426 PolarHBondContact O-ND1 3.28Å; I423-H426 PolarHBondContact O-N 2.94Å; I423-H426 VanDerWaalsContact O-N 3.09Å; K424-H426 VanDerWaalsContact C-N 3.29Å; K424-H426 PolarHBondContact O-N 2.94Å; H426-E428 PolarHBondContact O-N 3.07Å; H426-K429 PolarHBondContact O-N 3.23Å; H426-M430 PolarHBondContact O-N 3.46Å
427	I	61.7	Low	58.8	Low	7 Å²	7	54.2 Å²	54.2	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-58.1	-49.3	177.3	-71	167.2	0	0	0	110.4	I423 K424 K429 M430 V431 I481 F484 L485	I423-I427 HydrophobicContact CG2-CD1 3.56Å; I423-I427 HydrophobicContact CG2-CG1 4.31Å; I423-I427 WeakPolarHBondContact O-CG1 3.11Å; I423-I427 PolarHBondContact O-N 3.29Å; K424-I427 PolarHBondContact O-N 3.44Å; I427-K429 VanDerWaalsContact C-N 3.29Å; I427-K429 PolarHBondContact O-N 3.47Å; I427-M430 PolarHBondContact O-N 2.86Å; I427-M430 VanDerWaalsContact O-N 3.14Å; I427-V431 HydrophobicContact CG2-CG2 4.29Å; I427-V431 WeakPolarHBondContact O-CG2 3.38Å; I427-V431 PolarHBondContact O-N 3.32Å; I427-I481 HydrophobicContact CG2-CG2 4.45Å; I427-F484 HydrophobicContact CB-CB 4.43Å; I427-F484 HydrophobicContact CD1-CB 4.05Å; I427-F484 HydrophobicContact CG1-CB 4.08Å; I427-F484 HydrophobicContact CG2-CB 3.52Å; I427-F484 HydrophobicContact CG2-CG 4.46Å; I427-L485 HydrophobicContact CD1-CD2 3.92Å; I427-L485 HydrophobicContact CD1-CG 4.18Å
428	E	66	Low	59.7	Low	77 Å²	77	47.8 Å²	47.8	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-53.8	-44.7	176.4	-73.5	167.8	173	0	0	111.9	K424 H426 E432 I481	K424-E428 WeakPolarHBondContact CE-OE1 3.18Å; K424-E428 HydrophobicContact CG-CG 4.46Å; K424-E428 IonicContact NZ-OE1 2.68Å; K424-E428 WeakPolarHBondContact O-CG 3.4Å; K424-E428 PolarHBondContact O-N 2.89Å; H426-E428 PolarHBondContact O-N 3.07Å; E428-E432 WeakPolarHBondContact O-CB 3.28Å; E428-E432 PolarHBondContact O-N 3.48Å; E428-I481 HydrophobicContact CG-CD1 4.31Å
429	K	60.9	Low	60.8	Low	61 Å²	61	46.6 Å²	46.6	27%	0.265	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-36.2	177.3	-73.7	175.1	179.7	176	0	113.8	K425 H426 I427 S433	K425-K429 WeakPolarHBondContact O-CD 3.19Å; K425-K429 WeakPolarHBondContact O-CG 3.35Å; H426-K429 PolarHBondContact O-N 3.23Å; I427-K429 VanDerWaalsContact C-N 3.29Å; I427-K429 PolarHBondContact O-N 3.47Å; K429-S433 WeakPolarHBondContact O-CB 3.37Å; K429-S433 PolarHBondContact O-N 2.88Å; K429-S433 PolarHBondContact O-OG 3.25Å
430	M	60.4	Low	61.2	Low	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-47.4	175.1	177	-161.3	61.1	0	0	109.2	V365 H426 I427 E432 S433 V434 F458 F484	V365-M430 HydrophobicContact CB-CB 4.44Å; V365-M430 HydrophobicContact CB-CE 4.49Å; V365-M430 HydrophobicContact CB-CG 4.29Å; V365-M430 HydrophobicContact CB-SD 3.43Å; V365-M430 WeakPolarHBondContact CB-SD 3.41Å; V365-M430 HydrophobicContact CG1-CE 3.95Å; V365-M430 HydrophobicContact CG1-SD 3.41Å; V365-M430 WeakPolarHBondContact CG1-SD 3.21Å; V365-M430 HydrophobicContact CG2-CB 3.76Å; V365-M430 HydrophobicContact CG2-CG 4.15Å; V365-M430 HydrophobicContact CG2-SD 3.81Å; H426-M430 PolarHBondContact O-N 3.46Å; I427-M430 PolarHBondContact O-N 2.86Å; I427-M430 VanDerWaalsContact O-N 3.14Å; M430-E432 VanDerWaalsContact C-N 3.33Å; M430-E432 PolarHBondContact O-N 3.37Å; M430-S433 CarbonylContact O-C 3.35Å; M430-S433 WeakPolarHBondContact O-CA 3.43Å; M430-S433 WeakPolarHBondContact O-CB 2.84Å; M430-S433 PolarHBondContact O-N 3.23Å; M430-V434 HydrophobicContact CG-CG2 4.09Å; M430-V434 WeakPolarHBondContact O-CB 3.48Å; M430-V434 VanDerWaalsContact O-CG2 3.3Å; M430-V434 WeakPolarHBondContact O-CG2 3.4Å; M430-V434 PolarHBondContact O-N 3.48Å; M430-F458 HydrophobicContact CG-CZ 4.37Å; M430-F458 HydrophobicContact SD-CE1 3.82Å; M430-F458 HydrophobicContact SD-CE2 4.46Å; M430-F458 HydrophobicContact SD-CZ 3.56Å; M430-F458 VanDerWaalsContact SD-CZ 3.56Å; M430-F484 HydrophobicContact CE-CB 4.4Å; M430-F484 HydrophobicContact CE-CD1 3.76Å; M430-F484 HydrophobicContact CE-CD2 3.34Å; M430-F484 HydrophobicContact CE-CE1 3.71Å; M430-F484 HydrophobicContact CE-CE2 3.31Å; M430-F484 HydrophobicContact CE-CG 3.58Å; M430-F484 HydrophobicContact CE-CZ 3.49Å; M430-F484 VanDerWaalsContact CE-CZ 3.49Å; M430-F484 HydrophobicContact SD-CE1 4.49Å; M430-F484 HydrophobicContact SD-CZ 4.31Å
431	V	67.4	Low	61.8	Low	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-45.3	176.5	177.9	0	0	0	0	110.2	I427 S433 V434 F435 R477 M480 I481 F484	I427-V431 HydrophobicContact CG2-CG2 4.29Å; I427-V431 WeakPolarHBondContact O-CG2 3.38Å; I427-V431 PolarHBondContact O-N 3.32Å; V431-S433 VanDerWaalsContact C-N 3.26Å; V431-S433 PolarHBondContact O-N 2.98Å; V431-V434 PolarHBondContact O-N 3.37Å; V431-V434 VanDerWaalsContact O-N 3.14Å; V431-F435 HydrophobicContact CG1-CD2 3.49Å; V431-F435 VanDerWaalsContact CG1-CD2 3.49Å; V431-F435 HydrophobicContact CG1-CE2 3.48Å; V431-F435 VanDerWaalsContact CG1-CE2 3.48Å; V431-F435 VanDerWaalsContact O-CD2 3.29Å; V431-F435 WeakPolarHBondContact O-CD2 3.42Å; V431-F435 PolarHBondContact O-N 2.97Å; V431-R477 HydrophobicContact CG1-CB 4.48Å; V431-M480 HydrophobicContact CG1-CB 4.06Å; V431-M480 HydrophobicContact CG1-CG 4.22Å; V431-M480 HydrophobicContact CG1-SD 4.23Å; V431-M480 HydrophobicContact CG2-CB 4.25Å; V431-M480 HydrophobicContact CG2-CG 3.8Å; V431-M480 HydrophobicContact CG2-SD 4.23Å; V431-I481 HydrophobicContact CB-CD1 4.48Å; V431-I481 HydrophobicContact CB-CG1 3.83Å; V431-I481 HydrophobicContact CG1-CD1 4.41Å; V431-I481 HydrophobicContact CG1-CG1 3.94Å; V431-I481 HydrophobicContact CG2-CG1 3.78Å; V431-F484 HydrophobicContact CG2-CD2 4.08Å
432	E	67.1	Low	62.2	Low	98 Å²	98	48 Å²	48	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-56.4	-39.8	172.5	-166.8	62.8	-136.1	0	0	112.5	E428 M430 K436 R477	E428-E432 WeakPolarHBondContact O-CB 3.28Å; E428-E432 PolarHBondContact O-N 3.48Å; M430-E432 VanDerWaalsContact C-N 3.33Å; M430-E432 PolarHBondContact O-N 3.37Å; E432-K436 WeakPolarHBondContact O-CB 3.24Å; E432-K436 PolarHBondContact O-N 2.87Å; E432-R477 IonicContact OE1-CZ 2.69Å; E432-R477 IonicContact OE1-NH1 2.53Å; E432-R477 PolarHBondContact OE1-NH1 3.24Å; E432-R477 IonicContact OE2-NH1 3.92Å; E432-R477 PolarHBondContact OE2-NH1 3.4Å
433	S	60.3	Low	62.8	Low	8 Å²	8	49.7 Å²	49.7	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-73.7	-32.3	178	-54.1	0	0	0	0	113	N361 K429 M430 V431 N437	N361-S433 PolarHBondContact ND2-OG 3.04Å; K429-S433 WeakPolarHBondContact O-CB 3.37Å; K429-S433 PolarHBondContact O-N 2.88Å; K429-S433 PolarHBondContact O-OG 3.25Å; M430-S433 CarbonylContact O-C 3.35Å; M430-S433 WeakPolarHBondContact O-CA 3.43Å; M430-S433 WeakPolarHBondContact O-CB 2.84Å; M430-S433 PolarHBondContact O-N 3.23Å; V431-S433 VanDerWaalsContact C-N 3.26Å; V431-S433 PolarHBondContact O-N 2.98Å; S433-N437 PolarHBondContact O-N 3.31Å; S433-N437 PolarHBondContact O-ND2 3.28Å
434	V	64.1	Low	63.6	Low	2 Å²	2	50 Å²	50	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-72	-53.3	177.4	167.6	0	0	0	0	109	M430 V431 K436 N437 F438 I446 I454 M480	M430-V434 HydrophobicContact CG-CG2 4.09Å; M430-V434 WeakPolarHBondContact O-CB 3.48Å; M430-V434 VanDerWaalsContact O-CG2 3.3Å; M430-V434 WeakPolarHBondContact O-CG2 3.4Å; M430-V434 PolarHBondContact O-N 3.48Å; V431-V434 PolarHBondContact O-N 3.37Å; V431-V434 VanDerWaalsContact O-N 3.14Å; V434-K436 PolarHBondContact O-N 2.97Å; V434-N437 PolarHBondContact O-N 3.13Å; V434-N437 VanDerWaalsContact O-N 3.16Å; V434-F438 HydrophobicContact CB-CD2 4.43Å; V434-F438 HydrophobicContact CG1-CD2 3.94Å; V434-F438 WeakPolarHBondContact O-CB 3.42Å; V434-F438 WeakPolarHBondContact O-CD2 3.43Å; V434-F438 PolarHBondContact O-N 2.65Å; V434-I446 HydrophobicContact CG1-CD1 3.85Å; V434-I454 HydrophobicContact CG1-CD1 3.51Å; V434-I454 HydrophobicContact CG1-CG1 4.07Å; V434-I454 HydrophobicContact CG1-CG2 4.32Å; V434-M480 HydrophobicContact CG1-SD 3.99Å
435	F	67.8	Low	64.3	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-55.3	175.4	-83.3	-105.5	0	0	0	110.4	V431 N437 F438 D439 G444 I446 I475 R477 M480	V431-F435 HydrophobicContact CG1-CD2 3.49Å; V431-F435 VanDerWaalsContact CG1-CD2 3.49Å; V431-F435 HydrophobicContact CG1-CE2 3.48Å; V431-F435 VanDerWaalsContact CG1-CE2 3.48Å; V431-F435 VanDerWaalsContact O-CD2 3.29Å; V431-F435 WeakPolarHBondContact O-CD2 3.42Å; V431-F435 PolarHBondContact O-N 2.97Å; F435-N437 PolarHBondContact O-N 2.74Å; F435-F438 PolarHBondContact O-N 3.35Å; F435-D439 WeakPolarHBondContact O-CB 3.47Å; F435-D439 PolarHBondContact O-N 3.24Å; F435-G444 WeakPolarHBondContact CE1-O 3.41Å; F435-I446 HydrophobicContact CD1-CD1 4.12Å; F435-I446 HydrophobicContact CD1-CG1 4.08Å; F435-I446 HydrophobicContact CD2-CD1 3.52Å; F435-I446 HydrophobicContact CD2-CG1 4.36Å; F435-I446 HydrophobicContact CE1-CD1 3.98Å; F435-I446 HydrophobicContact CE1-CG1 3.88Å; F435-I446 HydrophobicContact CE2-CD1 3.36Å; F435-I446 HydrophobicContact CE2-CG1 4.18Å; F435-I446 HydrophobicContact CG-CD1 3.92Å; F435-I446 HydrophobicContact CG-CG1 4.33Å; F435-I446 HydrophobicContact CZ-CD1 3.6Å; F435-I446 HydrophobicContact CZ-CG1 3.92Å; F435-I475 WeakPolarHBondContact CZ-O 3.38Å; F435-R477 HydrophobicContact CD1-CG 3.56Å; F435-R477 HydrophobicContact CD2-CG 4.01Å; F435-R477 HydrophobicContact CE1-CB 4.42Å; F435-R477 HydrophobicContact CE1-CG 3.44Å; F435-R477 VanDerWaalsContact CE1-CG 3.44Å; F435-R477 HydrophobicContact CE2-CB 4.41Å; F435-R477 HydrophobicContact CE2-CG 3.93Å; F435-R477 HydrophobicContact CG-CG 3.84Å; F435-R477 HydrophobicContact CZ-CB 4.21Å; F435-R477 HydrophobicContact CZ-CG 3.66Å; F435-M480 HydrophobicContact CD2-SD 4.36Å; F435-M480 HydrophobicContact CE2-CB 4.05Å; F435-M480 HydrophobicContact CE2-CE 4.22Å; F435-M480 HydrophobicContact CE2-CG 4.49Å; F435-M480 HydrophobicContact CE2-SD 3.77Å
436	K	65.9	Low	65	Low	101 Å²	101	44.2 Å²	44.2	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-51.6	-20.1	179.2	177.7	-176.1	165.8	-146.4	0	116.3	D358 E432 V434	D358-K436 IonicContact OD1-NZ 2.69Å; D358-K436 PolarHBondContact OD1-NZ 2.86Å; D358-K436 WeakPolarHBondContact OD2-CE 3.31Å; D358-K436 IonicContact OD2-NZ 2.93Å; D358-K436 PolarHBondContact OD2-NZ 3.46Å; E432-K436 WeakPolarHBondContact O-CB 3.24Å; E432-K436 PolarHBondContact O-N 2.87Å; V434-K436 PolarHBondContact O-N 2.97Å
437	N	56.5	Low	65.8	Low	69 Å²	69	44.6 Å²	44.6	37%	0.369	25%	0.25	S	C	.	.	H	α-helix	trans	-121.5	-13.8	-177	-68.2	-71.4	0	0	0	115.2	L147 D358 S433 V434 F435	L147-N437 HydrophobicContact CD1-CB 3.34Å; L147-N437 HydrophobicContact CG-CB 4.26Å; D358-N437 PolarHBondContact OD2-ND2 3.29Å; S433-N437 PolarHBondContact O-N 3.31Å; S433-N437 PolarHBondContact O-ND2 3.28Å; V434-N437 PolarHBondContact O-N 3.13Å; V434-N437 VanDerWaalsContact O-N 3.16Å; F435-N437 PolarHBondContact O-N 2.74Å
438	F	62.5	Low	66.1	Low	17 Å²	17	51.8 Å²	51.8	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-120.1	-12.9	179	-68.4	-83.7	0	0	0	113.9	L147 V434 F435 T440 E450 A453 I454 N457	L147-F438 HydrophobicContact CB-CE1 4.42Å; L147-F438 HydrophobicContact CB-CE2 3.67Å; L147-F438 HydrophobicContact CB-CZ 3.44Å; L147-F438 VanDerWaalsContact CB-CZ 3.44Å; L147-F438 HydrophobicContact CD1-CD2 4.16Å; L147-F438 HydrophobicContact CD1-CE2 3.55Å; L147-F438 HydrophobicContact CD1-CZ 4.21Å; L147-F438 HydrophobicContact CG-CE2 4.27Å; L147-F438 HydrophobicContact CG-CZ 4.46Å; V434-F438 HydrophobicContact CB-CD2 4.43Å; V434-F438 HydrophobicContact CG1-CD2 3.94Å; V434-F438 WeakPolarHBondContact O-CB 3.42Å; V434-F438 WeakPolarHBondContact O-CD2 3.43Å; V434-F438 PolarHBondContact O-N 2.65Å; F435-F438 PolarHBondContact O-N 3.35Å; F438-T440 PolarHBondContact O-N 2.98Å; F438-T440 PolarHBondContact O-OG1 2.79Å; F438-E450 WeakPolarHBondContact O-CB 3.3Å; F438-E450 VanDerWaalsContact O-CG 3.24Å; F438-E450 WeakPolarHBondContact O-CG 3.29Å; F438-A453 HydrophobicContact CD1-CB 4.35Å; F438-A453 HydrophobicContact CE1-CB 4.21Å; F438-I454 HydrophobicContact CB-CD1 3.86Å; F438-I454 HydrophobicContact CB-CG1 4.03Å; F438-I454 HydrophobicContact CD1-CD1 4.45Å; F438-I454 HydrophobicContact CD1-CG1 3.69Å; F438-I454 HydrophobicContact CD2-CD1 4.26Å; F438-I454 HydrophobicContact CD2-CG1 3.77Å; F438-I454 HydrophobicContact CE1-CG1 4Å; F438-I454 HydrophobicContact CE2-CG1 4.06Å; F438-I454 HydrophobicContact CG-CD1 3.97Å; F438-I454 HydrophobicContact CG-CG1 3.57Å; F438-I454 HydrophobicContact CZ-CG1 4.17Å; F438-N457 WeakPolarHBondContact CZ-ND2 3.3Å
439	D	67.3	Low	66	Low	23 Å²	23	54.3 Å²	54.3	12%	0.123	29%	0.292	C	S	.	.			trans	-77.2	89.9	165	-178.3	-10.9	0	0	0	106.8	F435 G442 D443 G444	F435-D439 WeakPolarHBondContact O-CB 3.47Å; F435-D439 PolarHBondContact O-N 3.24Å; D439-G442 VanDerWaalsContact OD1-C 3.28Å; D439-G442 WeakPolarHBondContact OD1-CA 3.33Å; D439-G442 PolarHBondContact OD1-N 2.96Å; D439-D443 PolarHBondContact OD1-N 2.9Å; D439-G444 VanDerWaalsContact OD2-CA 3.22Å; D439-G444 WeakPolarHBondContact OD2-CA 3.37Å; D439-G444 PolarHBondContact OD2-N 3.43Å
440	T	58.8	Low	66.4	Low	117 Å²	117	52.6 Å²	52.6	72%	0.718	29%	0.285	S	S	*	.	S	Bend	trans	-83.5	-28	-167.8	-41.4	0	0	0	0	112	F438 E450	F438-T440 PolarHBondContact O-N 2.98Å; F438-T440 PolarHBondContact O-OG1 2.79Å; T440-E450 WeakPolarHBondContact CA-OE1 3.34Å; T440-E450 WeakPolarHBondContact CB-OE1 3.34Å; T440-E450 PolarHBondContact N-OE1 2.8Å; T440-E450 PolarHBondContact OG1-OE1 3.42Å
441	D	64.4	Low	66.7	Low	113 Å²	113	52.6 Å²	52.6	60%	0.604	29%	0.285	S	S	*	.	S	Bend	trans	-91.4	-14.7	175.7	63.8	12.5	0	0	0	113.3	D443	D441-D443 WeakPolarHBondContact OD1-CB 3.42Å; D441-D443 PolarHBondContact OD1-N 3.17Å
442	G	64.8	Low	66.5	Low	58 Å²	58	56.3 Å²	56.3	60%	0.598	30%	0.302	S	S	*	.			trans	79.8	20.9	175.6	0	0	0	0	0	113.2	D439 G444	D439-G442 VanDerWaalsContact OD1-C 3.28Å; D439-G442 WeakPolarHBondContact OD1-CA 3.33Å; D439-G442 PolarHBondContact OD1-N 2.96Å; G442-G444 VanDerWaalsContact C-N 3.26Å; G442-G444 PolarHBondContact O-N 3.35Å
443	D	70.9	Confident	66.2	Low	59 Å²	59	52.8 Å²	52.8	32%	0.316	29%	0.291	S	S	.	.	S	Bend	trans	-80.9	-3.6	-173.8	95.1	-4.1	0	0	0	114.2	D439 D441 H445 K474	D439-D443 PolarHBondContact OD1-N 2.9Å; D441-D443 WeakPolarHBondContact OD1-CB 3.42Å; D441-D443 PolarHBondContact OD1-N 3.17Å; D443-H445 VanDerWaalsContact C-N 3.35Å; D443-H445 PolarHBondContact O-ND1 3.49Å; D443-H445 WeakPolarHBondContact OD1-CA 3.39Å; D443-H445 WeakPolarHBondContact OD1-CB 3.12Å; D443-H445 IonicContact OD1-CG 2.63Å; D443-H445 PolarHBondContact OD1-N 3.05Å; D443-H445 IonicContact OD1-ND1 2.77Å; D443-H445 PolarHBondContact OD1-ND1 3.38Å; D443-K474 IonicContact OD2-NZ 3.77Å; D443-K474 PolarHBondContact OD2-NZ 2.96Å
444	G	69.3	Low	66.2	Low	24 Å²	24	52.4 Å²	52.4	25%	0.247	29%	0.288	C	S	.	.	S	Bend	trans	86.1	3.3	178.7	0	0	0	0	0	114.5	F435 D439 G442	F435-G444 WeakPolarHBondContact CE1-O 3.41Å; D439-G444 VanDerWaalsContact OD2-CA 3.22Å; D439-G444 WeakPolarHBondContact OD2-CA 3.37Å; D439-G444 PolarHBondContact OD2-N 3.43Å; G442-G444 VanDerWaalsContact C-N 3.26Å; G442-G444 PolarHBondContact O-N 3.35Å
445	H	77.6	Confident	66.1	Low	61 Å²	61	56 Å²	56	28%	0.282	30%	0.301	S	S	.	.	S	Bend	trans	-124.3	168.7	178.7	-50.4	70.9	0	0	0	109.9	D443 K474 I475	D443-H445 VanDerWaalsContact C-N 3.35Å; D443-H445 PolarHBondContact O-ND1 3.49Å; D443-H445 WeakPolarHBondContact OD1-CA 3.39Å; D443-H445 WeakPolarHBondContact OD1-CB 3.12Å; D443-H445 IonicContact OD1-CG 2.63Å; D443-H445 PolarHBondContact OD1-N 3.05Å; D443-H445 IonicContact OD1-ND1 2.77Å; D443-H445 PolarHBondContact OD1-ND1 3.38Å; H445-K474 HydrophobicContact CB-CB 3.87Å; H445-K474 HydrophobicContact CB-CD 3.89Å; H445-K474 HydrophobicContact CB-CG 4.47Å; H445-I475 WeakPolarHBondContact CA-O 3.33Å
446	I	74.2	Confident	65.5	Low	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-114.3	121.6	172.3	-71.7	164.3	0	0	0	109.1	V434 F435 E450 F451 I454 I475 M480	V434-I446 HydrophobicContact CG1-CD1 3.85Å; F435-I446 HydrophobicContact CD1-CD1 4.12Å; F435-I446 HydrophobicContact CD1-CG1 4.08Å; F435-I446 HydrophobicContact CD2-CD1 3.52Å; F435-I446 HydrophobicContact CD2-CG1 4.36Å; F435-I446 HydrophobicContact CE1-CD1 3.98Å; F435-I446 HydrophobicContact CE1-CG1 3.88Å; F435-I446 HydrophobicContact CE2-CD1 3.36Å; F435-I446 HydrophobicContact CE2-CG1 4.18Å; F435-I446 HydrophobicContact CG-CD1 3.92Å; F435-I446 HydrophobicContact CG-CG1 4.33Å; F435-I446 HydrophobicContact CZ-CD1 3.6Å; F435-I446 HydrophobicContact CZ-CG1 3.92Å; I446-E450 HydrophobicContact CG2-CB 3.94Å; I446-F451 HydrophobicContact CG2-CB 4.04Å; I446-I454 HydrophobicContact CD1-CD1 3.81Å; I446-I454 HydrophobicContact CG1-CD1 4.49Å; I446-I454 HydrophobicContact CG2-CD1 3.85Å; I446-I475 HydrophobicContact CB-CB 4.46Å; I446-I475 PolarHBondContact N-O 3.01Å; I446-I475 PolarHBondContact O-N 3.15Å; I446-M480 HydrophobicContact CD1-CE 3.53Å; I446-M480 HydrophobicContact CD1-SD 4.13Å
447	S	73.9	Confident	64.7	Low	40 Å²	40	54.8 Å²	54.8	28%	0.28	30%	0.299	S	S	.	.			trans	-72.1	168.3	176.6	73.7	0	0	0	0	111.9	D449 E450 F451	S447-D449 VanDerWaalsContact C-N 3.33Å; S447-D449 PolarHBondContact O-N 2.87Å; S447-E450 WeakPolarHBondContact CB-OE2 3.48Å; S447-E450 PolarHBondContact N-OE2 2.84Å; S447-E450 PolarHBondContact O-N 2.96Å; S447-E450 VanDerWaalsContact OG-CD 3.23Å; S447-E450 WeakPolarHBondContact OG-CG 3.48Å; S447-E450 PolarHBondContact OG-OE2 3.49Å; S447-F451 WeakPolarHBondContact O-CB 3.4Å; S447-F451 PolarHBondContact O-N 3.3Å
448	R	68.6	Low	64.5	Low	159 Å²	159	51.6 Å²	51.6	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-37.2	-179.1	-179.7	172.4	167.7	178.5	-7.1	113.9	F451 E452 F464	R448-F451 PolarHBondContact O-N 2.89Å; R448-E452 WeakPolarHBondContact O-CG 3.41Å; R448-E452 PolarHBondContact O-N 3.21Å; R448-E452 VanDerWaalsContact O-N 3.11Å; R448-F464 VanDerWaalsContact CA-CE2 3.42Å; R448-F464 HydrophobicContact CB-CD2 4.1Å; R448-F464 HydrophobicContact CB-CE2 3.9Å; R448-F464 HydrophobicContact CB-CZ 4.15Å; R448-F464 HydrophobicContact CG-CD2 4.15Å; R448-F464 HydrophobicContact CG-CE2 4.45Å; R448-F464 HydrophobicContact CG-CG 4.3Å
449	D	63.9	Low	63.7	Low	129 Å²	129	52.6 Å²	52.6	69%	0.69	29%	0.291	S	S	*	.	H	α-helix	trans	-77.2	-37.1	-176.7	-62.1	-24.2	0	0	0	110.9	S447 F451 E452 A453	S447-D449 VanDerWaalsContact C-N 3.33Å; S447-D449 PolarHBondContact O-N 2.87Å; D449-F451 VanDerWaalsContact C-N 3.33Å; D449-E452 PolarHBondContact O-N 3Å; D449-A453 PolarHBondContact O-N 2.73Å
450	E	68.1	Low	62.8	Low	25 Å²	25	53.8 Å²	53.8	12%	0.117	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-36.9	169.9	-68.1	162.9	145.4	0	0	111.6	F438 T440 I446 S447 E452 A453 I454	F438-E450 WeakPolarHBondContact O-CB 3.3Å; F438-E450 VanDerWaalsContact O-CG 3.24Å; F438-E450 WeakPolarHBondContact O-CG 3.29Å; T440-E450 WeakPolarHBondContact CA-OE1 3.34Å; T440-E450 WeakPolarHBondContact CB-OE1 3.34Å; T440-E450 PolarHBondContact N-OE1 2.8Å; T440-E450 PolarHBondContact OG1-OE1 3.42Å; I446-E450 HydrophobicContact CG2-CB 3.94Å; S447-E450 WeakPolarHBondContact CB-OE2 3.48Å; S447-E450 PolarHBondContact N-OE2 2.84Å; S447-E450 PolarHBondContact O-N 2.96Å; S447-E450 VanDerWaalsContact OG-CD 3.23Å; S447-E450 WeakPolarHBondContact OG-CG 3.48Å; S447-E450 PolarHBondContact OG-OE2 3.49Å; E450-E452 PolarHBondContact O-N 2.96Å; E450-A453 WeakPolarHBondContact O-CB 3.43Å; E450-A453 PolarHBondContact O-N 2.9Å; E450-I454 WeakPolarHBondContact O-CG1 3.46Å; E450-I454 PolarHBondContact O-N 2.58Å
451	F	67.4	Low	62.5	Low	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-35.1	173.9	-171.7	-104	0	0	0	113.4	I446 S447 R448 D449 A453 I454 R455 L461 S462 F464 L467 I475 M480	I446-F451 HydrophobicContact CG2-CB 4.04Å; S447-F451 WeakPolarHBondContact O-CB 3.4Å; S447-F451 PolarHBondContact O-N 3.3Å; R448-F451 PolarHBondContact O-N 2.89Å; D449-F451 VanDerWaalsContact C-N 3.33Å; F451-A453 VanDerWaalsContact C-N 3.29Å; F451-A453 PolarHBondContact O-N 3Å; F451-I454 PolarHBondContact O-N 3.17Å; F451-R455 WeakPolarHBondContact O-CB 3.32Å; F451-R455 PolarHBondContact O-N 3.01Å; F451-L461 HydrophobicContact CE2-CD1 3.93Å; F451-L461 HydrophobicContact CE2-CD2 4.07Å; F451-L461 HydrophobicContact CE2-CG 4.49Å; F451-L461 HydrophobicContact CZ-CB 4.06Å; F451-L461 HydrophobicContact CZ-CD1 4.11Å; F451-L461 HydrophobicContact CZ-CD2 4.03Å; F451-L461 HydrophobicContact CZ-CG 4.32Å; F451-S462 WeakPolarHBondContact CE1-O 3.34Å; F451-S462 WeakPolarHBondContact CZ-O 3.41Å; F451-F464 HydrophobicContact CB-CD2 3.7Å; F451-F464 HydrophobicContact CB-CE2 3.98Å; F451-F464 HydrophobicContact CD1-CB 4.03Å; F451-F464 AromaticContact CD1-CD2 3.67Å; F451-F464 HydrophobicContact CD1-CD2 3.67Å; F451-F464 HydrophobicContact CD1-CG 4.36Å; F451-F464 HydrophobicContact CE1-CB 4.29Å; F451-F464 AromaticContact CG-CD2 3.76Å; F451-F464 HydrophobicContact CG-CD2 3.76Å; F451-F464 HydrophobicContact CG-CE2 4.36Å; F451-L467 HydrophobicContact CE2-CD1 4.45Å; F451-L467 HydrophobicContact CE2-CD2 3.64Å; F451-L467 HydrophobicContact CZ-CD1 3.78Å; F451-L467 HydrophobicContact CZ-CD2 3.83Å; F451-L467 HydrophobicContact CZ-CG 4.35Å; F451-I475 HydrophobicContact CB-CD1 4.31Å; F451-I475 HydrophobicContact CD1-CD1 4.37Å; F451-I475 HydrophobicContact CD2-CD1 3.4Å; F451-I475 VanDerWaalsContact CD2-CD1 3.4Å; F451-I475 HydrophobicContact CE2-CD1 3.73Å; F451-I475 HydrophobicContact CG-CD1 3.76Å; F451-I475 HydrophobicContact CZ-CD1 4.31Å; F451-M480 HydrophobicContact CD2-CE 4.36Å; F451-M480 HydrophobicContact CE2-CE 4.39Å
452	E	63.6	Low	62	Low	78 Å²	78	44.6 Å²	44.6	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-33.4	174.4	-61.5	-134.6	131.3	0	0	111.9	R448 D449 E450 R455 N456	R448-E452 WeakPolarHBondContact O-CG 3.41Å; R448-E452 PolarHBondContact O-N 3.21Å; R448-E452 VanDerWaalsContact O-N 3.11Å; D449-E452 PolarHBondContact O-N 3Å; E450-E452 PolarHBondContact O-N 2.96Å; E452-R455 VanDerWaalsContact CD-NH2 3.28Å; E452-R455 PolarHBondContact O-N 3.3Å; E452-R455 IonicContact OE1-CZ 3.99Å; E452-R455 VanDerWaalsContact OE1-CZ 3.3Å; E452-R455 IonicContact OE1-NH1 3.05Å; E452-R455 PolarHBondContact OE1-NH1 2.57Å; E452-R455 IonicContact OE1-NH2 3.72Å; E452-R455 PolarHBondContact OE1-NH2 2.83Å; E452-R455 IonicContact OE2-NH2 3.27Å; E452-N456 PolarHBondContact O-N 3.42Å; E452-N456 PolarHBondContact O-ND2 2.92Å
453	A	60.9	Low	61.7	Low	25 Å²	25	49.1 Å²	49.1	21%	0.207	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-46.8	169.8	0	0	0	0	0	111.4	L148 F438 D449 E450 F451 R455 N456	L148-A453 HydrophobicContact CD2-CB 4Å; L148-A453 WeakPolarHBondContact CD2-O 3.28Å; F438-A453 HydrophobicContact CD1-CB 4.35Å; F438-A453 HydrophobicContact CE1-CB 4.21Å; D449-A453 PolarHBondContact O-N 2.73Å; E450-A453 WeakPolarHBondContact O-CB 3.43Å; E450-A453 PolarHBondContact O-N 2.9Å; F451-A453 VanDerWaalsContact C-N 3.29Å; F451-A453 PolarHBondContact O-N 3Å; A453-R455 PolarHBondContact O-N 2.62Å; A453-N456 PolarHBondContact O-N 3.23Å
454	I	60.7	Low	60.9	Low	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-38.4	177.9	-59.2	160.6	0	0	0	111.7	V434 F438 I446 E450 F451 N456 N457 F458 L461	V434-I454 HydrophobicContact CG1-CD1 3.51Å; V434-I454 HydrophobicContact CG1-CG1 4.07Å; V434-I454 HydrophobicContact CG1-CG2 4.32Å; F438-I454 HydrophobicContact CB-CD1 3.86Å; F438-I454 HydrophobicContact CB-CG1 4.03Å; F438-I454 HydrophobicContact CD1-CD1 4.45Å; F438-I454 HydrophobicContact CD1-CG1 3.69Å; F438-I454 HydrophobicContact CD2-CD1 4.26Å; F438-I454 HydrophobicContact CD2-CG1 3.77Å; F438-I454 HydrophobicContact CE1-CG1 4Å; F438-I454 HydrophobicContact CE2-CG1 4.06Å; F438-I454 HydrophobicContact CG-CD1 3.97Å; F438-I454 HydrophobicContact CG-CG1 3.57Å; F438-I454 HydrophobicContact CZ-CG1 4.17Å; I446-I454 HydrophobicContact CD1-CD1 3.81Å; I446-I454 HydrophobicContact CG1-CD1 4.49Å; I446-I454 HydrophobicContact CG2-CD1 3.85Å; E450-I454 WeakPolarHBondContact O-CG1 3.46Å; E450-I454 PolarHBondContact O-N 2.58Å; F451-I454 PolarHBondContact O-N 3.17Å; I454-N456 PolarHBondContact O-N 3.39Å; I454-N457 WeakPolarHBondContact O-CB 3.2Å; I454-N457 PolarHBondContact O-N 3.38Å; I454-F458 HydrophobicContact CG2-CD2 3.85Å; I454-F458 HydrophobicContact CG2-CE2 4.27Å; I454-F458 PolarHBondContact O-N 3.11Å; I454-L461 HydrophobicContact CB-CD1 4.38Å; I454-L461 HydrophobicContact CG2-CD1 3.57Å
455	R	60.5	Low	60.2	Low	76 Å²	76	49.2 Å²	49.2	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-26.3	176.7	-169.3	-176.9	67.3	-143.3	-4.8	113	F451 E452 A453 N457 F458 P459 L461	F451-R455 WeakPolarHBondContact O-CB 3.32Å; F451-R455 PolarHBondContact O-N 3.01Å; E452-R455 VanDerWaalsContact CD-NH2 3.28Å; E452-R455 PolarHBondContact O-N 3.3Å; E452-R455 IonicContact OE1-CZ 3.99Å; E452-R455 VanDerWaalsContact OE1-CZ 3.3Å; E452-R455 IonicContact OE1-NH1 3.05Å; E452-R455 PolarHBondContact OE1-NH1 2.57Å; E452-R455 IonicContact OE1-NH2 3.72Å; E452-R455 PolarHBondContact OE1-NH2 2.83Å; E452-R455 IonicContact OE2-NH2 3.27Å; A453-R455 PolarHBondContact O-N 2.62Å; R455-N457 VanDerWaalsContact C-N 3.26Å; R455-N457 PolarHBondContact O-N 2.94Å; R455-F458 CarbonylContact O-C 3.41Å; R455-P459 VanDerWaalsContact O-CA 3.3Å; R455-P459 WeakPolarHBondContact O-CA 3.31Å; R455-L461 HydrophobicContact CG-CB 4.3Å
456	N	56.4	Low	59.4	Low	70 Å²	70	51.2 Å²	51.2	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-71	-23	174.7	-65.7	-29.9	0	0	0	112.8	L148 E452 A453 I454	L148-N456 HydrophobicContact CD2-CB 4.34Å; E452-N456 PolarHBondContact O-N 3.42Å; E452-N456 PolarHBondContact O-ND2 2.92Å; A453-N456 PolarHBondContact O-N 3.23Å; I454-N456 PolarHBondContact O-N 3.39Å
457	N	48	Very low	58.9	Low	6 Å²	6	51.2 Å²	51.2	3%	0.032	26%	0.262	C	S	.	.	H	α-helix	trans	-89.2	-35.6	175.2	-63.3	-31.1	0	0	0	113.2	L147 L148 F149 F438 I454 R455 P459	L147-N457 PolarHBondContact O-ND2 3.25Å; L147-N457 PolarHBondContact O-OD1 3.47Å; L148-N457 VanDerWaalsContact CA-OD1 3.24Å; L148-N457 WeakPolarHBondContact CA-OD1 3.31Å; F149-N457 PolarHBondContact N-OD1 3.32Å; F438-N457 WeakPolarHBondContact CZ-ND2 3.3Å; I454-N457 WeakPolarHBondContact O-CB 3.2Å; I454-N457 PolarHBondContact O-N 3.38Å; R455-N457 VanDerWaalsContact C-N 3.26Å; R455-N457 PolarHBondContact O-N 2.94Å; N457-P459 VanDerWaalsContact C-CD 3.47Å; N457-P459 WeakPolarHBondContact O-CD 3.44Å
458	F	52.2	Low	58.6	Low	2 Å²	2	50 Å²	50	1%	0.009	25%	0.252	C	S	.	.	S	Bend	trans	-118.5	79.1	177.1	-58.3	-88.2	0	0	0	108.1	L362 S366 M430 I454 R455 Y460 L461	L362-F458 HydrophobicContact CD1-CE2 4.42Å; L362-F458 HydrophobicContact CD2-CE2 4.42Å; L362-F458 HydrophobicContact CD2-CZ 4.07Å; L362-F458 HydrophobicContact CG-CE2 4Å; L362-F458 HydrophobicContact CG-CZ 3.73Å; S366-F458 WeakPolarHBondContact OG-CE1 3.38Å; M430-F458 HydrophobicContact CG-CZ 4.37Å; M430-F458 HydrophobicContact SD-CE1 3.82Å; M430-F458 HydrophobicContact SD-CE2 4.46Å; M430-F458 HydrophobicContact SD-CZ 3.56Å; M430-F458 VanDerWaalsContact SD-CZ 3.56Å; I454-F458 HydrophobicContact CG2-CD2 3.85Å; I454-F458 HydrophobicContact CG2-CE2 4.27Å; I454-F458 PolarHBondContact O-N 3.11Å; R455-F458 CarbonylContact O-C 3.41Å; F458-Y460 PolarHBondContact O-N 2.77Å; F458-L461 HydrophobicContact CB-CD1 3.73Å; F458-L461 HydrophobicContact CB-CG 3.81Å; F458-L461 HydrophobicContact CD2-CD1 4.34Å; F458-L461 HydrophobicContact CG-CD1 4.4Å; F458-L461 VanDerWaalsContact O-CB 3.29Å; F458-L461 WeakPolarHBondContact O-CB 3.24Å; F458-L461 PolarHBondContact O-N 2.86Å
459	P	46.6	Very low	58.6	Low	39 Å²	39	47.3 Å²	47.3	25%	0.253	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	-174.3	22.3	-32	0	0	0	114.9	M209 S212 R455 N457	M209-P459 HydrophobicContact CE-CG 3.5Å; M209-P459 HydrophobicContact SD-CG 4.29Å; S212-P459 VanDerWaalsContact CB-CB 3.41Å; R455-P459 VanDerWaalsContact O-CA 3.3Å; R455-P459 WeakPolarHBondContact O-CA 3.31Å; N457-P459 VanDerWaalsContact C-CD 3.47Å; N457-P459 WeakPolarHBondContact O-CD 3.44Å
460	Y	48.5	Very low	59	Low	47 Å²	47	45.3 Å²	45.3	18%	0.184	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.5	173.8	-57.3	-83.8	0	0	0	113.4	L208 Q369 H371 M379 F458 S462	L208-Y460 WeakPolarHBondContact CA-OH 3.46Å; L208-Y460 HydrophobicContact CB-CE2 3.88Å; L208-Y460 VanDerWaalsContact CB-OH 3.3Å; L208-Y460 WeakPolarHBondContact CB-OH 3.34Å; L208-Y460 HydrophobicContact CD2-CE1 4.44Å; L208-Y460 HydrophobicContact CD2-CE2 4.38Å; L208-Y460 WeakPolarHBondContact CD2-OH 3.34Å; L208-Y460 HydrophobicContact CG-CE2 4.47Å; L208-Y460 PolarHBondContact O-OH 3.14Å; Q369-Y460 VanDerWaalsContact OE1-CD2 3.25Å; H371-Y460 AromaticContact NE2-CE1 3.86Å; M379-Y460 HydrophobicContact CE-CE1 3.96Å; M379-Y460 WeakPolarHBondContact CE-OH 3.31Å; M379-Y460 HydrophobicContact SD-CE1 4.17Å; F458-Y460 PolarHBondContact O-N 2.77Å; Y460-S462 PolarHBondContact O-N 3.45Å
461	L	52.2	Low	59.1	Low	11 Å²	11	51.9 Å²	51.9	6%	0.058	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-57.6	124.3	168.5	-89.4	170	0	0	0	109.5	F451 I454 R455 F458 L467 Y483 F484	F451-L461 HydrophobicContact CE2-CD1 3.93Å; F451-L461 HydrophobicContact CE2-CD2 4.07Å; F451-L461 HydrophobicContact CE2-CG 4.49Å; F451-L461 HydrophobicContact CZ-CB 4.06Å; F451-L461 HydrophobicContact CZ-CD1 4.11Å; F451-L461 HydrophobicContact CZ-CD2 4.03Å; F451-L461 HydrophobicContact CZ-CG 4.32Å; I454-L461 HydrophobicContact CB-CD1 4.38Å; I454-L461 HydrophobicContact CG2-CD1 3.57Å; R455-L461 HydrophobicContact CG-CB 4.3Å; F458-L461 HydrophobicContact CB-CD1 3.73Å; F458-L461 HydrophobicContact CB-CG 3.81Å; F458-L461 HydrophobicContact CD2-CD1 4.34Å; F458-L461 HydrophobicContact CG-CD1 4.4Å; F458-L461 VanDerWaalsContact O-CB 3.29Å; F458-L461 WeakPolarHBondContact O-CB 3.24Å; F458-L461 PolarHBondContact O-N 2.86Å; L461-L467 HydrophobicContact CD2-CD2 3.92Å; L461-Y483 HydrophobicContact CD2-CD1 3.98Å; L461-Y483 HydrophobicContact CD2-CE1 3.56Å; L461-F484 HydrophobicContact CD1-CZ 4.5Å; L461-F484 HydrophobicContact CD2-CE1 4.22Å; L461-F484 HydrophobicContact CD2-CE2 4.29Å; L461-F484 HydrophobicContact CD2-CZ 3.73Å; L461-F484 HydrophobicContact CG-CZ 4.28Å
462	S	53.3	Low	59.4	Low	27 Å²	27	55.9 Å²	55.9	19%	0.189	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-53.3	161.3	170.8	-81.7	0	0	0	0	111.5	F451 Y460 E466 Y483	F451-S462 WeakPolarHBondContact CE1-O 3.34Å; F451-S462 WeakPolarHBondContact CZ-O 3.41Å; Y460-S462 PolarHBondContact O-N 3.45Å; S462-E466 WeakPolarHBondContact CB-OE2 3.33Å; S462-E466 PolarHBondContact OG-OE2 2.92Å; S462-Y483 WeakPolarHBondContact CB-OH 3.28Å; S462-Y483 PolarHBondContact N-OH 3.38Å; S462-Y483 PolarHBondContact OG-OH 3.21Å; S462-Y483 VanDerWaalsContact OG-OH 3.08Å
463	K	58.2	Low	59.7	Low	152 Å²	152	54 Å²	54	66%	0.661	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60.1	148	175.8	-65.9	172.8	-175.2	167.6	0	109.8	G465 E466	K463-G465 VanDerWaalsContact C-N 3.28Å; K463-G465 PolarHBondContact O-N 3.48Å; K463-G465 VanDerWaalsContact O-N 3.08Å; K463-E466 WeakPolarHBondContact O-CB 3.37Å; K463-E466 PolarHBondContact O-N 2.84Å
464	F	55.6	Low	60.5	Low	28 Å²	28	56.7 Å²	56.7	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-39.9	-52.2	-178.2	-171.9	-89.1	0	0	0	113.7	R448 F451 E466 L467 D468 G473 I475	R448-F464 VanDerWaalsContact CA-CE2 3.42Å; R448-F464 HydrophobicContact CB-CD2 4.1Å; R448-F464 HydrophobicContact CB-CE2 3.9Å; R448-F464 HydrophobicContact CB-CZ 4.15Å; R448-F464 HydrophobicContact CG-CD2 4.15Å; R448-F464 HydrophobicContact CG-CE2 4.45Å; R448-F464 HydrophobicContact CG-CG 4.3Å; F451-F464 HydrophobicContact CB-CD2 3.7Å; F451-F464 HydrophobicContact CB-CE2 3.98Å; F451-F464 HydrophobicContact CD1-CB 4.03Å; F451-F464 AromaticContact CD1-CD2 3.67Å; F451-F464 HydrophobicContact CD1-CD2 3.67Å; F451-F464 HydrophobicContact CD1-CG 4.36Å; F451-F464 HydrophobicContact CE1-CB 4.29Å; F451-F464 AromaticContact CG-CD2 3.76Å; F451-F464 HydrophobicContact CG-CD2 3.76Å; F451-F464 HydrophobicContact CG-CE2 4.36Å; F464-E466 PolarHBondContact O-N 3.22Å; F464-E466 VanDerWaalsContact O-N 3.07Å; F464-L467 PolarHBondContact O-N 3.08Å; F464-D468 HydrophobicContact CD1-CB 4.12Å; F464-D468 HydrophobicContact CE1-CB 3.86Å; F464-D468 WeakPolarHBondContact O-CB 3.3Å; F464-D468 PolarHBondContact O-N 2.79Å; F464-G473 VanDerWaalsContact CZ-O 3.29Å; F464-G473 WeakPolarHBondContact CZ-O 3.23Å; F464-I475 HydrophobicContact CD2-CD1 3.67Å; F464-I475 HydrophobicContact CD2-CG1 4.28Å; F464-I475 HydrophobicContact CE2-CD1 3.55Å; F464-I475 HydrophobicContact CE2-CG1 3.74Å; F464-I475 HydrophobicContact CG-CD1 4.45Å; F464-I475 HydrophobicContact CZ-CD1 4.26Å; F464-I475 HydrophobicContact CZ-CG1 3.97Å
465	G	54.8	Low	61.3	Low	58 Å²	58	56.7 Å²	56.7	60%	0.598	30%	0.296	S	S	*	.	H	α-helix	trans	-73.8	13	178.9	0	0	0	0	0	117.2	K463	K463-G465 VanDerWaalsContact C-N 3.28Å; K463-G465 PolarHBondContact O-N 3.48Å; K463-G465 VanDerWaalsContact O-N 3.08Å
466	E	59.8	Low	62.2	Low	102 Å²	102	54 Å²	54	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-105.5	-17.1	163.1	-70.7	173.5	-153.7	0	0	111.9	S462 K463 F464	S462-E466 WeakPolarHBondContact CB-OE2 3.33Å; S462-E466 PolarHBondContact OG-OE2 2.92Å; K463-E466 WeakPolarHBondContact O-CB 3.37Å; K463-E466 PolarHBondContact O-N 2.84Å; F464-E466 PolarHBondContact O-N 3.22Å; F464-E466 VanDerWaalsContact O-N 3.07Å
467	L	63.4	Low	63.1	Low	1 Å²	1	54 Å²	54	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-94.1	-45.2	173.4	-78.5	84.9	0	0	0	111.5	F451 L461 F464 K469 I475 Y483	F451-L467 HydrophobicContact CE2-CD1 4.45Å; F451-L467 HydrophobicContact CE2-CD2 3.64Å; F451-L467 HydrophobicContact CZ-CD1 3.78Å; F451-L467 HydrophobicContact CZ-CD2 3.83Å; F451-L467 HydrophobicContact CZ-CG 4.35Å; L461-L467 HydrophobicContact CD2-CD2 3.92Å; F464-L467 PolarHBondContact O-N 3.08Å; L467-K469 PolarHBondContact O-N 2.85Å; L467-I475 HydrophobicContact CB-CD1 3.85Å; L467-I475 HydrophobicContact CB-CG1 4.25Å; L467-I475 HydrophobicContact CD2-CD1 4.3Å; L467-Y483 HydrophobicContact CD1-CD1 4.45Å; L467-Y483 HydrophobicContact CD1-CD2 3.79Å; L467-Y483 HydrophobicContact CD1-CE1 4.46Å; L467-Y483 HydrophobicContact CD1-CE2 3.76Å; L467-Y483 HydrophobicContact CD1-CG 4.14Å; L467-Y483 HydrophobicContact CD2-CD1 3.82Å; L467-Y483 HydrophobicContact CD2-CD2 4.22Å; L467-Y483 HydrophobicContact CD2-CE1 4.43Å; L467-Y483 HydrophobicContact CD2-CG 3.71Å; L467-Y483 HydrophobicContact CG-CD1 4.09Å; L467-Y483 HydrophobicContact CG-CD2 3.55Å; L467-Y483 HydrophobicContact CG-CE2 4.08Å; L467-Y483 HydrophobicContact CG-CG 3.55Å
468	D	68.4	Low	64.4	Low	13 Å²	13	60 Å²	60	7%	0.07	31%	0.31	C	S	.	.			trans	-65	93.7	168.1	174.6	5.8	0	0	0	108.6	F464 N470 Q471 D472 G473 I475	F464-D468 HydrophobicContact CD1-CB 4.12Å; F464-D468 HydrophobicContact CE1-CB 3.86Å; F464-D468 WeakPolarHBondContact O-CB 3.3Å; F464-D468 PolarHBondContact O-N 2.79Å; D468-N470 PolarHBondContact OD1-OD1 3.28Å; D468-Q471 WeakPolarHBondContact OD1-CA 3.47Å; D468-Q471 PolarHBondContact OD1-N 2.74Å; D468-D472 PolarHBondContact OD1-N 2.93Å; D468-G473 WeakPolarHBondContact OD2-CA 3.29Å; D468-G473 PolarHBondContact OD2-N 3.26Å; D468-G473 VanDerWaalsContact OD2-N 3.13Å; D468-I475 HydrophobicContact CB-CG1 4.42Å
469	K	68	Low	65.5	Low	104 Å²	104	60.5 Å²	60.5	45%	0.452	31%	0.313	S	S	.	.	S	Bend	trans	-88.5	-35.7	-178	-64.9	-176	-158.2	129.6	0	111.8	L467 E479 D482	L467-K469 PolarHBondContact O-N 2.85Å; K469-E479 WeakPolarHBondContact CB-OE1 3.27Å; K469-E479 PolarHBondContact N-OE1 2.9Å; K469-D482 WeakPolarHBondContact CE-OD2 3.29Å; K469-D482 VanDerWaalsContact NZ-CG 3.3Å; K469-D482 IonicContact NZ-OD2 2.68Å; K469-D482 PolarHBondContact NZ-OD2 3.41Å
470	N	73.3	Confident	66.6	Low	87 Å²	87	58.6 Å²	58.6	47%	0.465	30%	0.301	S	S	.	.	S	Bend	trans	-75.4	-14	179.6	64.7	20.2	0	0	0	111.8	D468 D472 E479	D468-N470 PolarHBondContact OD1-OD1 3.28Å; N470-D472 VanDerWaalsContact C-N 3.29Å; N470-D472 VanDerWaalsContact CG-OD2 3.3Å; N470-D472 PolarHBondContact ND2-OD2 3.11Å; N470-D472 VanDerWaalsContact OD1-CB 3.31Å; N470-D472 WeakPolarHBondContact OD1-CB 3.4Å; N470-D472 PolarHBondContact OD1-N 3.17Å; N470-D472 PolarHBondContact OD1-OD1 2.85Å; N470-D472 PolarHBondContact OD1-OD2 3.22Å; N470-E479 PolarHBondContact N-OE1 2.73Å; N470-E479 VanDerWaalsContact N-OE1 3.15Å; N470-E479 PolarHBondContact ND2-OE2 2.83Å
471	Q	69.3	Low	67.6	Low	162 Å²	162	58.2 Å²	58.2	76%	0.757	30%	0.301	S	S	*	.			trans	62.2	32.6	-177.8	-59.2	-175.1	4.3	0	0	112.9	D468 G473	D468-Q471 WeakPolarHBondContact OD1-CA 3.47Å; D468-Q471 PolarHBondContact OD1-N 2.74Å; Q471-G473 VanDerWaalsContact C-N 3.32Å
472	D	74.7	Confident	68.4	Low	85 Å²	85	60 Å²	60	46%	0.455	31%	0.311	S	S	.	.	S	Bend	trans	-83.3	-7.4	178.8	75.3	18.8	0	0	0	113.6	D468 N470 K474	D468-D472 PolarHBondContact OD1-N 2.93Å; N470-D472 VanDerWaalsContact C-N 3.29Å; N470-D472 VanDerWaalsContact CG-OD2 3.3Å; N470-D472 PolarHBondContact ND2-OD2 3.11Å; N470-D472 VanDerWaalsContact OD1-CB 3.31Å; N470-D472 WeakPolarHBondContact OD1-CB 3.4Å; N470-D472 PolarHBondContact OD1-N 3.17Å; N470-D472 PolarHBondContact OD1-OD1 2.85Å; N470-D472 PolarHBondContact OD1-OD2 3.22Å; D472-K474 VanDerWaalsContact C-N 3.34Å; D472-K474 WeakPolarHBondContact OD1-CA 3.3Å; D472-K474 VanDerWaalsContact OD1-CB 3.3Å; D472-K474 WeakPolarHBondContact OD1-CB 3.33Å; D472-K474 PolarHBondContact OD1-N 2.81Å
473	G	68.5	Low	69.1	Low	39 Å²	39	60.3 Å²	60.3	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	83.7	9.2	179.6	0	0	0	0	0	114.2	F464 D468 Q471	F464-G473 VanDerWaalsContact CZ-O 3.29Å; F464-G473 WeakPolarHBondContact CZ-O 3.23Å; D468-G473 WeakPolarHBondContact OD2-CA 3.29Å; D468-G473 PolarHBondContact OD2-N 3.26Å; D468-G473 VanDerWaalsContact OD2-N 3.13Å; Q471-G473 VanDerWaalsContact C-N 3.32Å
474	K	78.4	Confident	69.1	Low	82 Å²	82	53.8 Å²	53.8	36%	0.357	28%	0.28	S	S	.	.	S	Bend	trans	-128.1	175.5	173.5	-54.7	-171.1	173.3	-167.1	0	109.5	D443 H445 D472	D443-K474 IonicContact OD2-NZ 3.77Å; D443-K474 PolarHBondContact OD2-NZ 2.96Å; H445-K474 HydrophobicContact CB-CB 3.87Å; H445-K474 HydrophobicContact CB-CD 3.89Å; H445-K474 HydrophobicContact CB-CG 4.47Å; D472-K474 VanDerWaalsContact C-N 3.34Å; D472-K474 WeakPolarHBondContact OD1-CA 3.3Å; D472-K474 VanDerWaalsContact OD1-CB 3.3Å; D472-K474 WeakPolarHBondContact OD1-CB 3.33Å; D472-K474 PolarHBondContact OD1-N 2.81Å
475	I	76.6	Confident	69.5	Low	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-125.7	117.4	172.6	-63.3	169.7	0	0	0	108.5	F435 H445 I446 F451 F464 L467 D468 E479 M480	F435-I475 WeakPolarHBondContact CZ-O 3.38Å; H445-I475 WeakPolarHBondContact CA-O 3.33Å; I446-I475 HydrophobicContact CB-CB 4.46Å; I446-I475 PolarHBondContact N-O 3.01Å; I446-I475 PolarHBondContact O-N 3.15Å; F451-I475 HydrophobicContact CB-CD1 4.31Å; F451-I475 HydrophobicContact CD1-CD1 4.37Å; F451-I475 HydrophobicContact CD2-CD1 3.4Å; F451-I475 VanDerWaalsContact CD2-CD1 3.4Å; F451-I475 HydrophobicContact CE2-CD1 3.73Å; F451-I475 HydrophobicContact CG-CD1 3.76Å; F451-I475 HydrophobicContact CZ-CD1 4.31Å; F464-I475 HydrophobicContact CD2-CD1 3.67Å; F464-I475 HydrophobicContact CD2-CG1 4.28Å; F464-I475 HydrophobicContact CE2-CD1 3.55Å; F464-I475 HydrophobicContact CE2-CG1 3.74Å; F464-I475 HydrophobicContact CG-CD1 4.45Å; F464-I475 HydrophobicContact CZ-CD1 4.26Å; F464-I475 HydrophobicContact CZ-CG1 3.97Å; L467-I475 HydrophobicContact CB-CD1 3.85Å; L467-I475 HydrophobicContact CB-CG1 4.25Å; L467-I475 HydrophobicContact CD2-CD1 4.3Å; D468-I475 HydrophobicContact CB-CG1 4.42Å; I475-E479 HydrophobicContact CG2-CB 4.37Å; I475-M480 HydrophobicContact CG2-CB 4.04Å; I475-M480 HydrophobicContact CG2-CE 4Å
476	S	80.1	Confident	69.7	Low	18 Å²	18	56.4 Å²	56.4	13%	0.126	28%	0.277	C	S	.	.			trans	-76.1	162.2	174.1	63.2	0	0	0	0	112.7	E478 E479 M480	S476-E478 VanDerWaalsContact C-N 3.27Å; S476-E478 PolarHBondContact O-N 2.67Å; S476-E479 WeakPolarHBondContact CB-OE2 3.48Å; S476-E479 PolarHBondContact N-OE2 3.07Å; S476-E479 PolarHBondContact O-N 3.29Å; S476-E479 WeakPolarHBondContact OG-CB 3.41Å; S476-E479 VanDerWaalsContact OG-CD 3.31Å; S476-E479 VanDerWaalsContact OG-CG 3.24Å; S476-E479 WeakPolarHBondContact OG-CG 3.13Å; S476-E479 PolarHBondContact OG-N 2.93Å; S476-E479 PolarHBondContact OG-OE2 3.41Å; S476-M480 PolarHBondContact O-N 3.36Å
477	R	75.9	Confident	69.3	Low	70 Å²	70	52.9 Å²	52.9	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-41.3	177.2	-67.2	-179.9	-178.8	-134.1	-2.3	111.2	V431 E432 F435 M480 I481	V431-R477 HydrophobicContact CG1-CB 4.48Å; E432-R477 IonicContact OE1-CZ 2.69Å; E432-R477 IonicContact OE1-NH1 2.53Å; E432-R477 PolarHBondContact OE1-NH1 3.24Å; E432-R477 IonicContact OE2-NH1 3.92Å; E432-R477 PolarHBondContact OE2-NH1 3.4Å; F435-R477 HydrophobicContact CD1-CG 3.56Å; F435-R477 HydrophobicContact CD2-CG 4.01Å; F435-R477 HydrophobicContact CE1-CB 4.42Å; F435-R477 HydrophobicContact CE1-CG 3.44Å; F435-R477 VanDerWaalsContact CE1-CG 3.44Å; F435-R477 HydrophobicContact CE2-CB 4.41Å; F435-R477 HydrophobicContact CE2-CG 3.93Å; F435-R477 HydrophobicContact CG-CG 3.84Å; F435-R477 HydrophobicContact CZ-CB 4.21Å; F435-R477 HydrophobicContact CZ-CG 3.66Å; R477-M480 PolarHBondContact O-N 2.92Å; R477-I481 WeakPolarHBondContact O-CB 3.09Å; R477-I481 VanDerWaalsContact O-CG1 3.28Å; R477-I481 WeakPolarHBondContact O-CG1 3.27Å; R477-I481 PolarHBondContact O-N 3.13Å
478	E	74.2	Confident	68.5	Low	132 Å²	132	54.5 Å²	54.5	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-67.9	-38.5	-179.6	-66.5	66.4	-148.5	0	0	111.7	S476 D482	S476-E478 VanDerWaalsContact C-N 3.27Å; S476-E478 PolarHBondContact O-N 2.67Å; E478-D482 VanDerWaalsContact O-CB 3.29Å; E478-D482 WeakPolarHBondContact O-CB 3.17Å; E478-D482 PolarHBondContact O-N 3.31Å
479	E	75.4	Confident	67.3	Low	13 Å²	13	57.6 Å²	57.6	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-41.4	173.3	-78	167.4	130.6	0	0	112.2	K469 N470 I475 S476 Y483	K469-E479 WeakPolarHBondContact CB-OE1 3.27Å; K469-E479 PolarHBondContact N-OE1 2.9Å; N470-E479 PolarHBondContact N-OE1 2.73Å; N470-E479 VanDerWaalsContact N-OE1 3.15Å; N470-E479 PolarHBondContact ND2-OE2 2.83Å; I475-E479 HydrophobicContact CG2-CB 4.37Å; S476-E479 WeakPolarHBondContact CB-OE2 3.48Å; S476-E479 PolarHBondContact N-OE2 3.07Å; S476-E479 PolarHBondContact O-N 3.29Å; S476-E479 WeakPolarHBondContact OG-CB 3.41Å; S476-E479 VanDerWaalsContact OG-CD 3.31Å; S476-E479 VanDerWaalsContact OG-CG 3.24Å; S476-E479 WeakPolarHBondContact OG-CG 3.13Å; S476-E479 PolarHBondContact OG-N 2.93Å; S476-E479 PolarHBondContact OG-OE2 3.41Å; E479-Y483 VanDerWaalsContact O-CB 3.3Å; E479-Y483 WeakPolarHBondContact O-CB 3.43Å; E479-Y483 PolarHBondContact O-N 3.24Å
480	M	69.9	Low	66.1	Low	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-42.1	176.5	-167.9	171.3	-74.6	0	0	111.9	V431 V434 F435 I446 F451 I475 S476 R477 Y483 F484	V431-M480 HydrophobicContact CG1-CB 4.06Å; V431-M480 HydrophobicContact CG1-CG 4.22Å; V431-M480 HydrophobicContact CG1-SD 4.23Å; V431-M480 HydrophobicContact CG2-CB 4.25Å; V431-M480 HydrophobicContact CG2-CG 3.8Å; V431-M480 HydrophobicContact CG2-SD 4.23Å; V434-M480 HydrophobicContact CG1-SD 3.99Å; F435-M480 HydrophobicContact CD2-SD 4.36Å; F435-M480 HydrophobicContact CE2-CB 4.05Å; F435-M480 HydrophobicContact CE2-CE 4.22Å; F435-M480 HydrophobicContact CE2-CG 4.49Å; F435-M480 HydrophobicContact CE2-SD 3.77Å; I446-M480 HydrophobicContact CD1-CE 3.53Å; I446-M480 HydrophobicContact CD1-SD 4.13Å; F451-M480 HydrophobicContact CD2-CE 4.36Å; F451-M480 HydrophobicContact CE2-CE 4.39Å; I475-M480 HydrophobicContact CG2-CB 4.04Å; I475-M480 HydrophobicContact CG2-CE 4Å; S476-M480 PolarHBondContact O-N 3.36Å; R477-M480 PolarHBondContact O-N 2.92Å; M480-Y483 PolarHBondContact O-N 3.03Å; M480-F484 HydrophobicContact CG-CD2 3.7Å; M480-F484 HydrophobicContact CG-CE2 3.57Å; M480-F484 VanDerWaalsContact O-CD2 3.24Å; M480-F484 WeakPolarHBondContact O-CD2 3.47Å; M480-F484 PolarHBondContact O-N 2.78Å; M480-F484 HydrophobicContact SD-CE2 4.01Å
481	I	70.8	Confident	64.7	Low	38 Å²	38	57.6 Å²	57.6	20%	0.195	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-48	174.5	-72.3	165.3	0	0	0	110.7	I427 E428 V431 R477 Y483 F484 L485	I427-I481 HydrophobicContact CG2-CG2 4.45Å; E428-I481 HydrophobicContact CG-CD1 4.31Å; V431-I481 HydrophobicContact CB-CD1 4.48Å; V431-I481 HydrophobicContact CB-CG1 3.83Å; V431-I481 HydrophobicContact CG1-CD1 4.41Å; V431-I481 HydrophobicContact CG1-CG1 3.94Å; V431-I481 HydrophobicContact CG2-CG1 3.78Å; R477-I481 WeakPolarHBondContact O-CB 3.09Å; R477-I481 VanDerWaalsContact O-CG1 3.28Å; R477-I481 WeakPolarHBondContact O-CG1 3.27Å; R477-I481 PolarHBondContact O-N 3.13Å; I481-Y483 VanDerWaalsContact C-N 3.34Å; I481-Y483 PolarHBondContact O-N 3.46Å; I481-F484 PolarHBondContact O-N 2.79Å; I481-L485 HydrophobicContact CG2-CD1 3.64Å; I481-L485 HydrophobicContact CG2-CG 4.32Å; I481-L485 VanDerWaalsContact O-CB 3.3Å; I481-L485 WeakPolarHBondContact O-CB 3.22Å; I481-L485 VanDerWaalsContact O-CG 3.31Å; I481-L485 WeakPolarHBondContact O-CG 3.36Å; I481-L485 PolarHBondContact O-N 2.91Å
482	D	68.3	Low	63.1	Low	48 Å²	48	57 Å²	57	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-32.8	178.1	175.2	92	0	0	0	112.3	K469 E478 K486	K469-D482 WeakPolarHBondContact CE-OD2 3.29Å; K469-D482 VanDerWaalsContact NZ-CG 3.3Å; K469-D482 IonicContact NZ-OD2 2.68Å; K469-D482 PolarHBondContact NZ-OD2 3.41Å; E478-D482 VanDerWaalsContact O-CB 3.29Å; E478-D482 WeakPolarHBondContact O-CB 3.17Å; E478-D482 PolarHBondContact O-N 3.31Å; D482-K486 VanDerWaalsContact CG-NZ 3.33Å; D482-K486 VanDerWaalsContact O-CB 3.23Å; D482-K486 WeakPolarHBondContact O-CB 3.36Å; D482-K486 VanDerWaalsContact O-CG 3.29Å; D482-K486 WeakPolarHBondContact O-CG 3.23Å; D482-K486 PolarHBondContact O-N 3.34Å; D482-K486 WeakPolarHBondContact OD1-CE 3.49Å; D482-K486 IonicContact OD1-NZ 2.64Å; D482-K486 PolarHBondContact OD1-NZ 3.08Å; D482-K486 VanDerWaalsContact OD1-NZ 3.16Å; D482-K486 WeakPolarHBondContact OD2-CD 3.31Å; D482-K486 VanDerWaalsContact OD2-CE 3.28Å; D482-K486 WeakPolarHBondContact OD2-CE 3.46Å; D482-K486 IonicContact OD2-NZ 3.83Å; D482-K486 PolarHBondContact OD2-NZ 2.68Å
483	Y	67.7	Low	61.2	Low	34 Å²	34	57 Å²	57	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-52.8	171.3	175.7	-93.3	0	0	0	111.3	L461 S462 L467 E479 M480 I481 L485 K486 A487	L461-Y483 HydrophobicContact CD2-CD1 3.98Å; L461-Y483 HydrophobicContact CD2-CE1 3.56Å; S462-Y483 WeakPolarHBondContact CB-OH 3.28Å; S462-Y483 PolarHBondContact N-OH 3.38Å; S462-Y483 PolarHBondContact OG-OH 3.21Å; S462-Y483 VanDerWaalsContact OG-OH 3.08Å; L467-Y483 HydrophobicContact CD1-CD1 4.45Å; L467-Y483 HydrophobicContact CD1-CD2 3.79Å; L467-Y483 HydrophobicContact CD1-CE1 4.46Å; L467-Y483 HydrophobicContact CD1-CE2 3.76Å; L467-Y483 HydrophobicContact CD1-CG 4.14Å; L467-Y483 HydrophobicContact CD2-CD1 3.82Å; L467-Y483 HydrophobicContact CD2-CD2 4.22Å; L467-Y483 HydrophobicContact CD2-CE1 4.43Å; L467-Y483 HydrophobicContact CD2-CG 3.71Å; L467-Y483 HydrophobicContact CG-CD1 4.09Å; L467-Y483 HydrophobicContact CG-CD2 3.55Å; L467-Y483 HydrophobicContact CG-CE2 4.08Å; L467-Y483 HydrophobicContact CG-CG 3.55Å; E479-Y483 VanDerWaalsContact O-CB 3.3Å; E479-Y483 WeakPolarHBondContact O-CB 3.43Å; E479-Y483 PolarHBondContact O-N 3.24Å; M480-Y483 PolarHBondContact O-N 3.03Å; I481-Y483 VanDerWaalsContact C-N 3.34Å; I481-Y483 PolarHBondContact O-N 3.46Å; Y483-L485 VanDerWaalsContact C-N 3.34Å; Y483-L485 PolarHBondContact O-N 3.15Å; Y483-K486 PolarHBondContact O-N 2.63Å; Y483-A487 WeakPolarHBondContact O-CB 3.07Å; Y483-A487 PolarHBondContact O-N 3.16Å
484	F	59.2	Low	59.2	Low	15 Å²	15	63.3 Å²	63.3	7%	0.066	33%	0.327	C	S	.	.	H	α-helix	trans	-67.2	-34.2	-179.4	-79.5	-69.1	0	0	0	112.4	I427 M430 V431 L461 M480 I481 A487 S488	I427-F484 HydrophobicContact CB-CB 4.43Å; I427-F484 HydrophobicContact CD1-CB 4.05Å; I427-F484 HydrophobicContact CG1-CB 4.08Å; I427-F484 HydrophobicContact CG2-CB 3.52Å; I427-F484 HydrophobicContact CG2-CG 4.46Å; M430-F484 HydrophobicContact CE-CB 4.4Å; M430-F484 HydrophobicContact CE-CD1 3.76Å; M430-F484 HydrophobicContact CE-CD2 3.34Å; M430-F484 HydrophobicContact CE-CE1 3.71Å; M430-F484 HydrophobicContact CE-CE2 3.31Å; M430-F484 HydrophobicContact CE-CG 3.58Å; M430-F484 HydrophobicContact CE-CZ 3.49Å; M430-F484 VanDerWaalsContact CE-CZ 3.49Å; M430-F484 HydrophobicContact SD-CE1 4.49Å; M430-F484 HydrophobicContact SD-CZ 4.31Å; V431-F484 HydrophobicContact CG2-CD2 4.08Å; L461-F484 HydrophobicContact CD1-CZ 4.5Å; L461-F484 HydrophobicContact CD2-CE1 4.22Å; L461-F484 HydrophobicContact CD2-CE2 4.29Å; L461-F484 HydrophobicContact CD2-CZ 3.73Å; L461-F484 HydrophobicContact CG-CZ 4.28Å; M480-F484 HydrophobicContact CG-CD2 3.7Å; M480-F484 HydrophobicContact CG-CE2 3.57Å; M480-F484 VanDerWaalsContact O-CD2 3.24Å; M480-F484 WeakPolarHBondContact O-CD2 3.47Å; M480-F484 PolarHBondContact O-N 2.78Å; M480-F484 HydrophobicContact SD-CE2 4.01Å; I481-F484 PolarHBondContact O-N 2.79Å; F484-A487 PolarHBondContact O-N 2.92Å; F484-S488 WeakPolarHBondContact O-CB 3.45Å; F484-S488 PolarHBondContact O-N 2.98Å; F484-S488 PolarHBondContact O-OG 2.97Å
485	L	62.9	Low	56.9	Low	45 Å²	45	65 Å²	65	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-34.2	171.7	-77.7	171.2	0	0	0	112.7	K424 I427 I481 Y483 S488 S489	K424-L485 HydrophobicContact CB-CD2 3.83Å; K424-L485 HydrophobicContact CD-CD1 4.48Å; K424-L485 HydrophobicContact CG-CD1 4.39Å; K424-L485 HydrophobicContact CG-CD2 4.05Å; I427-L485 HydrophobicContact CD1-CD2 3.92Å; I427-L485 HydrophobicContact CD1-CG 4.18Å; I481-L485 HydrophobicContact CG2-CD1 3.64Å; I481-L485 HydrophobicContact CG2-CG 4.32Å; I481-L485 VanDerWaalsContact O-CB 3.3Å; I481-L485 WeakPolarHBondContact O-CB 3.22Å; I481-L485 VanDerWaalsContact O-CG 3.31Å; I481-L485 WeakPolarHBondContact O-CG 3.36Å; I481-L485 PolarHBondContact O-N 2.91Å; Y483-L485 VanDerWaalsContact C-N 3.34Å; Y483-L485 PolarHBondContact O-N 3.15Å; L485-S488 WeakPolarHBondContact CA-OG 3.28Å; L485-S488 PolarHBondContact O-OG 3.05Å; L485-S488 VanDerWaalsContact O-OG 3.13Å; L485-S489 VanDerWaalsContact O-CB 3.27Å; L485-S489 WeakPolarHBondContact O-CB 3.32Å; L485-S489 PolarHBondContact O-N 3.01Å; L485-S489 PolarHBondContact O-OG 2.69Å
486	K	58.8	Low	54.7	Low	97 Å²	97	67.2 Å²	67.2	42%	0.422	36%	0.361	S	S	.	.	H	α-helix	trans	-71.9	-41.8	172.9	-82.2	174.4	-179.7	154.2	0	111.6	D482 Y483 S489 L490	D482-K486 VanDerWaalsContact CG-NZ 3.33Å; D482-K486 VanDerWaalsContact O-CB 3.23Å; D482-K486 WeakPolarHBondContact O-CB 3.36Å; D482-K486 VanDerWaalsContact O-CG 3.29Å; D482-K486 WeakPolarHBondContact O-CG 3.23Å; D482-K486 PolarHBondContact O-N 3.34Å; D482-K486 WeakPolarHBondContact OD1-CE 3.49Å; D482-K486 IonicContact OD1-NZ 2.64Å; D482-K486 PolarHBondContact OD1-NZ 3.08Å; D482-K486 VanDerWaalsContact OD1-NZ 3.16Å; D482-K486 WeakPolarHBondContact OD2-CD 3.31Å; D482-K486 VanDerWaalsContact OD2-CE 3.28Å; D482-K486 WeakPolarHBondContact OD2-CE 3.46Å; D482-K486 IonicContact OD2-NZ 3.83Å; D482-K486 PolarHBondContact OD2-NZ 2.68Å; Y483-K486 PolarHBondContact O-N 2.63Å; K486-S489 WeakPolarHBondContact CA-OG 3.24Å; K486-S489 PolarHBondContact O-N 2.98Å; K486-S489 PolarHBondContact O-OG 3.07Å; K486-L490 HydrophobicContact CB-CD1 4.44Å; K486-L490 WeakPolarHBondContact O-CB 3.4Å; K486-L490 WeakPolarHBondContact O-CD1 3.47Å; K486-L490 WeakPolarHBondContact O-CG 3.29Å; K486-L490 PolarHBondContact O-N 2.82Å
487	A	50.9	Low	53	Low	28 Å²	28	70 Å²	70	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-55.3	-56.5	170.4	0	0	0	0	0	109.4	Y483 F484 S489 L490 L491	Y483-A487 WeakPolarHBondContact O-CB 3.07Å; Y483-A487 PolarHBondContact O-N 3.16Å; F484-A487 PolarHBondContact O-N 2.92Å; A487-S489 VanDerWaalsContact C-N 3.32Å; A487-S489 PolarHBondContact O-N 2.72Å; A487-L490 PolarHBondContact O-N 2.77Å; A487-L491 HydrophobicContact CB-CD1 4.4Å; A487-L491 WeakPolarHBondContact O-CB 3.36Å; A487-L491 WeakPolarHBondContact O-CD1 3.4Å; A487-L491 WeakPolarHBondContact O-CG 3.1Å; A487-L491 PolarHBondContact O-N 3.03Å
488	S	46.9	Very low	51.6	Low	34 Å²	34	73.2 Å²	73.2	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-31.8	-178.4	72.3	0	0	0	0	114.3	F484 L485	F484-S488 WeakPolarHBondContact O-CB 3.45Å; F484-S488 PolarHBondContact O-N 2.98Å; F484-S488 PolarHBondContact O-OG 2.97Å; L485-S488 WeakPolarHBondContact CA-OG 3.28Å; L485-S488 PolarHBondContact O-OG 3.05Å; L485-S488 VanDerWaalsContact O-OG 3.13Å
489	S	44.1	Very low	50.8	Low	78 Å²	78	67.6 Å²	67.6	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-82.7	-27.2	176.7	58.6	0	0	0	0	114.2	L485 K486 A487	L485-S489 VanDerWaalsContact O-CB 3.27Å; L485-S489 WeakPolarHBondContact O-CB 3.32Å; L485-S489 PolarHBondContact O-N 3.01Å; L485-S489 PolarHBondContact O-OG 2.69Å; K486-S489 WeakPolarHBondContact CA-OG 3.24Å; K486-S489 PolarHBondContact O-N 2.98Å; K486-S489 PolarHBondContact O-OG 3.07Å; A487-S489 VanDerWaalsContact C-N 3.32Å; A487-S489 PolarHBondContact O-N 2.72Å
490	L	41.4	Very low	50.6	Low	124 Å²	124	71.1 Å²	71.1	65%	0.649	39%	0.388	S	S	*	.	H	α-helix	trans	-82.2	-21.2	172.2	-67	167.9	0	0	0	112.4	K486 A487 N492	K486-L490 HydrophobicContact CB-CD1 4.44Å; K486-L490 WeakPolarHBondContact O-CB 3.4Å; K486-L490 WeakPolarHBondContact O-CD1 3.47Å; K486-L490 WeakPolarHBondContact O-CG 3.29Å; K486-L490 PolarHBondContact O-N 2.82Å; A487-L490 PolarHBondContact O-N 2.77Å; L490-N492 PolarHBondContact O-N 3.24Å; L490-N492 VanDerWaalsContact O-N 3.11Å
491	L	45.2	Very low	50.9	Low	68 Å²	68	72.2 Å²	72.2	36%	0.356	39%	0.392	S	S	.	.			trans	-70.4	4.4	178.8	-81.8	164.7	0	0	0	114.7	A487 C493 M495	A487-L491 HydrophobicContact CB-CD1 4.4Å; A487-L491 WeakPolarHBondContact O-CB 3.36Å; A487-L491 WeakPolarHBondContact O-CD1 3.4Å; A487-L491 WeakPolarHBondContact O-CG 3.1Å; A487-L491 PolarHBondContact O-N 3.03Å; L491-C493 PolarHBondContact O-N 3.2Å; L491-M495 HydrophobicContact CD2-CG 4.12Å
492	N	35.3	Very low	51.2	Low	150 Å²	150	72.8 Å²	72.8	80%	0.802	40%	0.398	S	S	*	.	S	Bend	trans	-70.1	60.3	157.4	-92.9	-20.3	0	0	0	111.1	L490	L490-N492 PolarHBondContact O-N 3.24Å; L490-N492 VanDerWaalsContact O-N 3.11Å
493	C	34	Very low	51.9	Low	83 Å²	83	74.5 Å²	74.5	56%	0.561	40%	0.404	S	S	*	.	S	Bend	trans	57.5	89	178.8	-56.4	0	0	0	0	115.9	L491	L491-C493 PolarHBondContact O-N 3.2Å
494	K	28.1	Very low	52.3	Low	173 Å²	173	74.6 Å²	74.6	75%	0.752	41%	0.408	S	S	*	.			trans	176.4	90.8	140.4	-92.8	144	-158.3	153.5	0	112.7	G496	K494-G496 VanDerWaalsContact C-N 3.31Å; K494-G496 PolarHBondContact O-N 2.8Å
495	M	29.6	Very low	53.1	Low	117 Å²	117	76.4 Å²	76.4	58%	0.576	42%	0.421	S	S	*	.			trans	-88.7	70.1	159.9	-73	-60.4	-74.5	0	0	110.8	L491	L491-M495 HydrophobicContact CD2-CG 4.12Å
496	G	30	Very low	53.6	Low	47 Å²	47	75.3 Å²	75.3	49%	0.485	41%	0.414	S	S	.	.			trans	-89.2	130.1	169.6	0	0	0	0	0	111	K494 I498	K494-G496 VanDerWaalsContact C-N 3.31Å; K494-G496 PolarHBondContact O-N 2.8Å; G496-I498 PolarHBondContact O-N 3.17Å; G496-I498 VanDerWaalsContact O-N 3.08Å
497	F	43.5	Very low	54.1	Low	77 Å²	77	77.5 Å²	77.5	34%	0.338	44%	0.435	S	S	.	.			trans	-47.9	115.5	-179.3	-57.5	-72.4	0	0	0	112.1	H499 A545 E547	F497-H499 PolarHBondContact O-CD2 3Å; F497-H499 PolarHBondContact O-N 2.74Å; F497-A545 WeakPolarHBondContact CD2-O 2.98Å; F497-E547 HydrophobicContact CD1-CG 3.75Å; F497-E547 HydrophobicContact CD2-CG 3.92Å; F497-E547 HydrophobicContact CE1-CG 3.59Å; F497-E547 HydrophobicContact CE2-CG 3.78Å; F497-E547 HydrophobicContact CG-CB 4.49Å; F497-E547 HydrophobicContact CG-CG 3.9Å; F497-E547 HydrophobicContact CZ-CG 3.6Å
498	I	48.2	Very low	55	Low	137 Å²	137	84.2 Å²	84.2	70%	0.703	46%	0.459	S	S	*	.			trans	-73.6	118.4	-168.3	-57.2	177.5	0	0	0	110.6	G496	G496-I498 PolarHBondContact O-N 3.17Å; G496-I498 VanDerWaalsContact O-N 3.08Å
499	H	56.7	Low	56.3	Low	14 Å²	14	87.7 Å²	87.7	7%	0.065	48%	0.48	C	S	.	.			trans	-107.2	126.9	174.1	-72.6	-92.4	0	0	0	111.2	F497 F501 C529 C532 L544 V546 C548	F497-H499 PolarHBondContact O-CD2 3Å; F497-H499 PolarHBondContact O-N 2.74Å; H499-F501 HydrophobicContact CB-CD2 3.66Å; H499-F501 HydrophobicContact CB-CE1 4.24Å; H499-F501 HydrophobicContact CB-CE2 3.29Å; H499-F501 HydrophobicContact CB-CG 4.33Å; H499-F501 HydrophobicContact CB-CZ 3.59Å; H499-F501 AromaticContact CG-CZ 3.98Å; H499-F501 VanDerWaalsContact O-CD2 3.25Å; H499-F501 WeakPolarHBondContact O-CD2 3.24Å; H499-F501 PolarHBondContact O-N 3.17Å; H499-C529 HydrophobicContact CB-CB 4.11Å; H499-C529 PolarHBondContact ND1-SG 3.37Å; H499-C529 VanDerWaalsContact ND1-SG 3.4Å; H499-C532 PolarHBondContact CE1-SG 2.85Å; H499-C532 PolarHBondContact ND1-SG 3.36Å; H499-L544 WeakPolarHBondContact NE2-CD2 3.14Å; H499-V546 PolarHBondContact NE2-O 3.15Å; H499-C548 PolarHBondContact ND1-SG 2.88Å
500	T	70.4	Confident	57.8	Low	87 Å²	87	85 Å²	85	53%	0.534	46%	0.461	S	S	.	.			trans	-77.7	83.4	174.7	-39	0	0	0	0	111	K530	T500-K530 HydrophobicContact CG2-CD 4.36Å; T500-K530 WeakPolarHBondContact O-CB 3.45Å; T500-K530 PolarHBondContact O-N 2.99Å
501	F	76.7	Confident	59.4	Low	22 Å²	22	84.9 Å²	84.9	10%	0.096	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.3	-176.7	-74.8	-70.6	0	0	0	114.8	H499 Y527 K528 C529 V534 C536 R541 L544	H499-F501 HydrophobicContact CB-CD2 3.66Å; H499-F501 HydrophobicContact CB-CE1 4.24Å; H499-F501 HydrophobicContact CB-CE2 3.29Å; H499-F501 HydrophobicContact CB-CG 4.33Å; H499-F501 HydrophobicContact CB-CZ 3.59Å; H499-F501 AromaticContact CG-CZ 3.98Å; H499-F501 VanDerWaalsContact O-CD2 3.25Å; H499-F501 WeakPolarHBondContact O-CD2 3.24Å; H499-F501 PolarHBondContact O-N 3.17Å; F501-Y527 HydrophobicContact CB-CD1 4.08Å; F501-Y527 HydrophobicContact CB-CG 4.46Å; F501-K528 CarbonylContact C-O 3.58Å; F501-K528 WeakPolarHBondContact CA-O 3.37Å; F501-C529 HydrophobicContact CD1-CB 4.09Å; F501-C529 HydrophobicContact CE1-CB 4.01Å; F501-V534 HydrophobicContact CE1-CG1 4Å; F501-V534 HydrophobicContact CZ-CG1 4.22Å; F501-C536 VanDerWaalsContact CE1-SG 3.57Å; F501-R541 HydrophobicContact CD2-CG 3.48Å; F501-R541 VanDerWaalsContact CD2-CG 3.48Å; F501-R541 HydrophobicContact CE2-CG 3.73Å; F501-R541 HydrophobicContact CG-CG 4.08Å; F501-L544 HydrophobicContact CZ-CD1 4.25Å; F501-L544 HydrophobicContact CZ-CD2 4.36Å
502	T	78.2	Confident	61	Low	51 Å²	51	81.7 Å²	81.7	31%	0.313	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.9	166.3	39.9	0	0	0	0	112.2	T504 Y527 K528 K530	T502-T504 PolarHBondContact O-N 2.71Å; T502-T504 PolarHBondContact O-OG1 3.09Å; T502-T504 VanDerWaalsContact O-OG1 3.12Å; T502-Y527 WeakPolarHBondContact O-CA 3.11Å; T502-K528 PolarHBondContact N-O 3.48Å; T502-K528 PolarHBondContact O-N 3.24Å; T502-K528 PolarHBondContact OG1-O 3.4Å; T502-K530 HydrophobicContact CG2-CD 3.97Å; T502-K530 VanDerWaalsContact CG2-CE 3.47Å; T502-K530 HydrophobicContact CG2-CG 4.16Å
503	E	83.1	Confident	63	Low	84 Å²	84	80.3 Å²	80.3	39%	0.393	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	128.2	170.5	-68.6	-174.8	170.9	0	0	109.9	K524 Y527	E503-K524 WeakPolarHBondContact OE2-CD 3.25Å; E503-K524 WeakPolarHBondContact OE2-CE 3.44Å; E503-K524 IonicContact OE2-NZ 2.71Å; E503-K524 PolarHBondContact OE2-NZ 3.08Å; E503-Y527 HydrophobicContact CB-CE1 4.43Å; E503-Y527 HydrophobicContact CG-CD1 3.94Å; E503-Y527 HydrophobicContact CG-CE1 3.26Å; E503-Y527 HydrophobicContact CG-CE2 4.36Å; E503-Y527 PolarHBondContact OE1-OH 3.35Å
504	T	75.9	Confident	64.8	Low	35 Å²	35	80 Å²	80	22%	0.215	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131	-174.6	-57	0	0	0	0	109.3	T502 Y506 G526 K528	T502-T504 PolarHBondContact O-N 2.71Å; T502-T504 PolarHBondContact O-OG1 3.09Å; T502-T504 VanDerWaalsContact O-OG1 3.12Å; T504-Y506 HydrophobicContact CG2-CD1 4.3Å; T504-Y506 HydrophobicContact CG2-CE1 4.02Å; T504-G526 PolarHBondContact N-O 3.39Å; T504-K528 HydrophobicContact CG2-CB 4.49Å; T504-K528 WeakPolarHBondContact OG1-CB 3.39Å
505	T	76.3	Confident	67	Low	54 Å²	54	74.7 Å²	74.7	33%	0.331	40%	0.402	S	S	.	.			trans	-86.3	116.9	167.2	-58.6	0	0	0	0	108.2	Y523 K524	T505-Y523 HydrophobicContact CG2-CD2 4.42Å; T505-K524 PolarHBondContact OG1-N 3.1Å
506	Y	72.5	Confident	69	Low	22 Å²	22	72.9 Å²	72.9	9%	0.086	41%	0.405	C	S	.	.			trans	-87.4	117.2	177.6	-59.9	-80.1	0	0	0	109.5	T504 K508 T510 I519 Q525 Y527 K528 N535	T504-Y506 HydrophobicContact CG2-CD1 4.3Å; T504-Y506 HydrophobicContact CG2-CE1 4.02Å; Y506-K508 VanDerWaalsContact C-N 3.27Å; Y506-T510 HydrophobicContact CD1-CG2 3.84Å; Y506-T510 HydrophobicContact CE1-CG2 3.92Å; Y506-T510 HydrophobicContact CG-CG2 4.27Å; Y506-I519 HydrophobicContact CD2-CG2 4.21Å; Y506-I519 HydrophobicContact CE2-CD1 4.29Å; Y506-I519 HydrophobicContact CE2-CG2 4.27Å; Y506-Q525 HydrophobicContact CD2-CB 4.46Å; Y506-Q525 PolarHBondContact O-NE2 3.38Å; Y506-Y527 VanDerWaalsContact OH-C 3.25Å; Y506-Y527 PolarHBondContact OH-O 3.37Å; Y506-K528 WeakPolarHBondContact OH-CB 3.46Å; Y506-N535 HydrophobicContact CE1-CB 4.21Å; Y506-N535 WeakPolarHBondContact CE1-OD1 3.38Å; Y506-N535 WeakPolarHBondContact OH-CB 3.36Å; Y506-N535 PolarHBondContact OH-OD1 2.84Å
507	V	70.3	Confident	71	Confident	143 Å²	143	72 Å²	72	87%	0.867	40%	0.396	S	S	*	.	S	Bend	trans	-86.8	0.4	176.4	-153	0	0	0	0	111.8
508	K	69.3	Low	72.6	Confident	169 Å²	169	72.7 Å²	72.7	74%	0.735	40%	0.399	S	S	*	.	S	Bend	trans	-132.1	149.6	179.4	-65.2	-171.6	179.3	-173.1	0	110.1	Y506 T510	Y506-K508 VanDerWaalsContact C-N 3.27Å; K508-T510 PolarHBondContact O-N 3.08Å; K508-T510 VanDerWaalsContact O-N 3.11Å; K508-T510 PolarHBondContact O-OG1 3.46Å
509	P	73.7	Confident	74.1	Confident	106 Å²	106	66.4 Å²	66.4	69%	0.688	37%	0.367	S	S	*	.			trans	-49.2	117.6	172.4	-27.9	36.1	0	0	0	111.3	F518	P509-F518 HydrophobicContact CB-CE2 3.61Å; P509-F518 HydrophobicContact CB-CZ 3.85Å
510	T	75.6	Confident	74.1	Confident	22 Å²	22	75.5 Å²	75.5	14%	0.135	40%	0.401	C	S	.	.			trans	-134.7	140.6	-173.4	-55	0	0	0	0	109.6	Y506 K508 F518 I519 N535	Y506-T510 HydrophobicContact CD1-CG2 3.84Å; Y506-T510 HydrophobicContact CE1-CG2 3.92Å; Y506-T510 HydrophobicContact CG-CG2 4.27Å; K508-T510 PolarHBondContact O-N 3.08Å; K508-T510 VanDerWaalsContact O-N 3.11Å; K508-T510 PolarHBondContact O-OG1 3.46Å; T510-F518 WeakPolarHBondContact O-CD2 3.43Å; T510-I519 HydrophobicContact CG2-CD1 4.17Å; T510-I519 WeakPolarHBondContact O-CB 3.37Å; T510-I519 WeakPolarHBondContact O-CG1 3.46Å; T510-I519 PolarHBondContact O-N 3.27Å; T510-N535 HydrophobicContact CG2-CB 3.9Å
511	F	75.6	Confident	73.5	Confident	121 Å²	121	72.7 Å²	72.7	53%	0.531	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-111.8	156.5	-178	-62.7	-97.2	0	0	0	110.9	A516 F518	F511-A516 WeakPolarHBondContact CD1-O 3.4Å; F511-F518 HydrophobicContact CD1-CB 4.14Å; F511-F518 AromaticContact CD1-CD2 3.9Å; F511-F518 HydrophobicContact CD1-CD2 3.9Å; F511-F518 HydrophobicContact CD2-CD2 4.29Å; F511-F518 HydrophobicContact CE1-CB 4.03Å; F511-F518 AromaticContact CE1-CD2 3.59Å; F511-F518 HydrophobicContact CE1-CD2 3.59Å; F511-F518 HydrophobicContact CE1-CG 4.28Å; F511-F518 AromaticContact CE2-CD2 3.99Å; F511-F518 HydrophobicContact CE2-CD2 3.99Å; F511-F518 HydrophobicContact CE2-CE2 4.23Å; F511-F518 HydrophobicContact CG-CD2 4.25Å; F511-F518 AromaticContact CZ-CD2 3.63Å; F511-F518 HydrophobicContact CZ-CD2 3.63Å; F511-F518 HydrophobicContact CZ-CE2 4.16Å
512	C	78.2	Confident	72.3	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	42%	0.424	C	S	.	.			trans	-88.9	122.9	179.8	176.4	0	0	0	0	110.7	H514 C515 A516 G517 I519 C536 H537	C512-H514 PolarHBondContact O-N 3.5Å; C512-H514 VanDerWaalsContact O-N 3.17Å; C512-C515 PolarHBondContact O-N 2.97Å; C512-A516 VanDerWaalsContact O-CA 3.22Å; C512-A516 WeakPolarHBondContact O-CA 3.35Å; C512-A516 PolarHBondContact O-N 3.47Å; C512-G517 WeakPolarHBondContact CB-O 3.5Å; C512-G517 PolarHBondContact N-O 3.19Å; C512-I519 HydrophobicContact CB-CD1 4.24Å; C512-I519 HydrophobicContact CB-CG1 4.05Å; C512-C536 VanDerWaalsContact SG-CA 3.55Å; C512-H537 WeakPolarHBondContact CB-CE1 3.43Å; C512-H537 WeakPolarHBondContact CB-ND1 3.2Å; C512-H537 PolarHBondContact SG-N 3.33Å; C512-H537 VanDerWaalsContact SG-N 3.45Å; C512-H537 PolarHBondContact SG-ND1 3.3Å; C512-H537 VanDerWaalsContact SG-ND1 3.36Å
513	E	76.4	Confident	71	Confident	121 Å²	121	86.6 Å²	86.6	57%	0.565	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.2	-176.5	-154.2	75.2	-157.7	0	0	113.5	V534 N535 L544 V546	E513-V534 HydrophobicContact CB-CG2 3.41Å; E513-V534 VanDerWaalsContact CB-CG2 3.41Å; E513-V534 HydrophobicContact CG-CG2 3.56Å; E513-N535 PolarHBondContact N-O 2.94Å; E513-L544 HydrophobicContact CB-CD1 4.41Å; E513-V546 HydrophobicContact CG-CG2 4.14Å
514	H	72.4	Confident	69.9	Low	76 Å²	76	87.6 Å²	87.6	35%	0.352	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-35.2	-176.4	166.7	-89.7	0	0	0	113.8	C512 C540 R543 L544	C512-H514 PolarHBondContact O-N 3.5Å; C512-H514 VanDerWaalsContact O-N 3.17Å; H514-C540 HydrophobicContact CB-CB 3.99Å; H514-C540 PolarHBondContact ND1-SG 3.4Å; H514-C540 VanDerWaalsContact ND1-SG 3.37Å; H514-R543 PolarHBondContact CD2-O 3.36Å; H514-R543 WeakPolarHBondContact NE2-CB 3.35Å; H514-R543 PolarHBondContact NE2-O 2.92Å; H514-L544 HydrophobicContact CB-CD1 4.05Å; H514-L544 HydrophobicContact CB-CG 4.3Å
515	C	74	Confident	69.5	Low	63 Å²	63	87.6 Å²	87.6	43%	0.426	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	4.1	-175.8	64.3	0	0	0	0	114.1	C512 G517 H537	C512-C515 PolarHBondContact O-N 2.97Å; C515-G517 PolarHBondContact O-N 3.27Å; C515-H537 VanDerWaalsContact SG-CE1 3.56Å; C515-H537 PolarHBondContact SG-ND1 2.82Å
516	A	72.6	Confident	69.6	Low	78 Å²	78	85.1 Å²	85.1	65%	0.645	43%	0.428	S	S	*	.			trans	54.4	-2.6	-169.7	0	0	0	0	0	115.9	F511 C512	F511-A516 WeakPolarHBondContact CD1-O 3.4Å; C512-A516 VanDerWaalsContact O-CA 3.22Å; C512-A516 WeakPolarHBondContact O-CA 3.35Å; C512-A516 PolarHBondContact O-N 3.47Å
517	G	71.6	Confident	70.1	Confident	28 Å²	28	85 Å²	85	29%	0.289	43%	0.427	S	S	.	.			trans	-73.5	151.7	-177	0	0	0	0	0	113.6	C512 C515	C512-G517 WeakPolarHBondContact CB-O 3.5Å; C512-G517 PolarHBondContact N-O 3.19Å; C515-G517 PolarHBondContact O-N 3.27Å
518	F	77.5	Confident	70.6	Confident	92 Å²	92	82.3 Å²	82.3	40%	0.404	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-66.6	139.6	-179.1	-166.8	-116.6	0	0	0	112.7	P509 T510 F511 W520 H537	P509-F518 HydrophobicContact CB-CE2 3.61Å; P509-F518 HydrophobicContact CB-CZ 3.85Å; T510-F518 WeakPolarHBondContact O-CD2 3.43Å; F511-F518 HydrophobicContact CD1-CB 4.14Å; F511-F518 AromaticContact CD1-CD2 3.9Å; F511-F518 HydrophobicContact CD1-CD2 3.9Å; F511-F518 HydrophobicContact CD2-CD2 4.29Å; F511-F518 HydrophobicContact CE1-CB 4.03Å; F511-F518 AromaticContact CE1-CD2 3.59Å; F511-F518 HydrophobicContact CE1-CD2 3.59Å; F511-F518 HydrophobicContact CE1-CG 4.28Å; F511-F518 AromaticContact CE2-CD2 3.99Å; F511-F518 HydrophobicContact CE2-CD2 3.99Å; F511-F518 HydrophobicContact CE2-CE2 4.23Å; F511-F518 HydrophobicContact CG-CD2 4.25Å; F511-F518 AromaticContact CZ-CD2 3.63Å; F511-F518 HydrophobicContact CZ-CD2 3.63Å; F511-F518 HydrophobicContact CZ-CE2 4.16Å; F518-W520 HydrophobicContact CD1-CB 4.12Å; F518-W520 PolarHBondContact O-N 3.17Å; F518-H537 PolarHBondContact O-NE2 2.87Å
519	I	78.6	Confident	71.1	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	37%	0.369	C	S	.	.			trans	-91.3	90.3	177.9	-53.6	-176.5	0	0	0	108.7	Y506 T510 C512 Q525 N535	Y506-I519 HydrophobicContact CD2-CG2 4.21Å; Y506-I519 HydrophobicContact CE2-CD1 4.29Å; Y506-I519 HydrophobicContact CE2-CG2 4.27Å; T510-I519 HydrophobicContact CG2-CD1 4.17Å; T510-I519 WeakPolarHBondContact O-CB 3.37Å; T510-I519 WeakPolarHBondContact O-CG1 3.46Å; T510-I519 PolarHBondContact O-N 3.27Å; C512-I519 HydrophobicContact CB-CD1 4.24Å; C512-I519 HydrophobicContact CB-CG1 4.05Å; I519-Q525 VanDerWaalsContact CG2-C 3.45Å; I519-Q525 HydrophobicContact CG2-CB 3.64Å; I519-Q525 WeakPolarHBondContact CG2-O 3.47Å; I519-N535 HydrophobicContact CD1-CB 4.14Å
520	W	57.9	Low	71.1	Confident	205 Å²	205	76.8 Å²	76.8	78%	0.777	37%	0.369	S	S	*	.			trans	-92	151.4	-171.9	-168.7	70.9	0	0	0	114	F518	F518-W520 HydrophobicContact CD1-CB 4.12Å; F518-W520 PolarHBondContact O-N 3.17Å
521	G	58.3	Low	70.4	Confident	28 Å²	28	77.6 Å²	77.6	29%	0.289	38%	0.379	S	S	.	.	S	Bend	trans	130.9	175.7	180	0	0	0	0	0	113.1	Q525	G521-Q525 WeakPolarHBondContact O-CG 3.34Å; G521-Q525 PolarHBondContact O-NE2 3.01Å
522	F	51.3	Low	70	Confident	191 Å²	191	73.5 Å²	73.5	84%	0.838	37%	0.365	S	S	*	.	S	Bend	trans	-109.3	-15.1	-176.5	-63.3	-78.9	0	0	0	114.8
523	Y	50.7	Low	69.8	Low	174 Å²	174	74.8 Å²	74.8	68%	0.682	38%	0.378	S	S	*	.	S	Bend	trans	-151.6	139.4	179	-169.1	-105	0	0	0	110	T505 Q525	T505-Y523 HydrophobicContact CG2-CD2 4.42Å; Y523-Q525 VanDerWaalsContact C-N 3.31Å; Y523-Q525 PolarHBondContact O-N 3.27Å
524	K	59.8	Low	70	Confident	105 Å²	105	69.8 Å²	69.8	46%	0.457	36%	0.356	S	S	.	.	S	Bend	trans	47.8	43.9	-178.4	-69	-179.7	167.7	-154.4	0	114.4	E503 T505 G526	E503-K524 WeakPolarHBondContact OE2-CD 3.25Å; E503-K524 WeakPolarHBondContact OE2-CE 3.44Å; E503-K524 IonicContact OE2-NZ 2.71Å; E503-K524 PolarHBondContact OE2-NZ 3.08Å; T505-K524 PolarHBondContact OG1-N 3.1Å; K524-G526 PolarHBondContact O-N 3.11Å; K524-G526 VanDerWaalsContact O-N 3.14Å
525	Q	66.5	Low	70.5	Confident	35 Å²	35	67.8 Å²	67.8	16%	0.164	35%	0.347	C	S	.	.			trans	-65.4	-22.7	-170.6	-49.5	99.3	-35.3	0	0	114	Y506 I519 G521 Y523	Y506-Q525 HydrophobicContact CD2-CB 4.46Å; Y506-Q525 PolarHBondContact O-NE2 3.38Å; I519-Q525 VanDerWaalsContact CG2-C 3.45Å; I519-Q525 HydrophobicContact CG2-CB 3.64Å; I519-Q525 WeakPolarHBondContact CG2-O 3.47Å; G521-Q525 WeakPolarHBondContact O-CG 3.34Å; G521-Q525 PolarHBondContact O-NE2 3.01Å; Y523-Q525 VanDerWaalsContact C-N 3.31Å; Y523-Q525 PolarHBondContact O-N 3.27Å
526	G	79.8	Confident	71	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-169	177.7	0	0	0	0	0	114.9	T504 K524 C536	T504-G526 PolarHBondContact N-O 3.39Å; K524-G526 PolarHBondContact O-N 3.11Å; K524-G526 VanDerWaalsContact O-N 3.14Å; G526-C536 WeakPolarHBondContact CA-O 3.48Å
527	Y	82.1	Confident	71.5	Confident	19 Å²	19	63.1 Å²	63.1	8%	0.075	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.1	-177.8	-70.3	-97.5	0	0	0	110.2	F501 T502 E503 Y506 N535 C536 K538	F501-Y527 HydrophobicContact CB-CD1 4.08Å; F501-Y527 HydrophobicContact CB-CG 4.46Å; T502-Y527 WeakPolarHBondContact O-CA 3.11Å; E503-Y527 HydrophobicContact CB-CE1 4.43Å; E503-Y527 HydrophobicContact CG-CD1 3.94Å; E503-Y527 HydrophobicContact CG-CE1 3.26Å; E503-Y527 HydrophobicContact CG-CE2 4.36Å; E503-Y527 PolarHBondContact OE1-OH 3.35Å; Y506-Y527 VanDerWaalsContact OH-C 3.25Å; Y506-Y527 PolarHBondContact OH-O 3.37Å; Y527-N535 WeakPolarHBondContact O-CA 3.4Å; Y527-C536 PolarHBondContact N-O 3.11Å; Y527-C536 PolarHBondContact O-N 3.02Å; Y527-K538 HydrophobicContact CD2-CB 4.22Å; Y527-K538 HydrophobicContact CE2-CB 3.62Å; Y527-K538 HydrophobicContact CE2-CD 3.99Å; Y527-K538 HydrophobicContact CE2-CG 3.58Å; Y527-K538 WeakPolarHBondContact OH-CE 3.25Å
528	K	81.3	Confident	71.8	Confident	86 Å²	86	68.8 Å²	68.8	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.6	174.7	-173.1	168.4	-176.1	177.4	0	110.5	F501 T502 T504 Y506 G533 V534 N535	F501-K528 CarbonylContact C-O 3.58Å; F501-K528 WeakPolarHBondContact CA-O 3.37Å; T502-K528 PolarHBondContact N-O 3.48Å; T502-K528 PolarHBondContact O-N 3.24Å; T502-K528 PolarHBondContact OG1-O 3.4Å; T504-K528 HydrophobicContact CG2-CB 4.49Å; T504-K528 WeakPolarHBondContact OG1-CB 3.39Å; Y506-K528 WeakPolarHBondContact OH-CB 3.46Å; K528-G533 WeakPolarHBondContact CE-O 3.42Å; K528-V534 CarbonylContact C-O 3.57Å; K528-V534 WeakPolarHBondContact CA-O 3.22Å; K528-N535 WeakPolarHBondContact CD-OD1 3.5Å; K528-N535 WeakPolarHBondContact CG-OD1 3.35Å
529	C	79.4	Confident	71.4	Confident	2 Å²	2	68 Å²	68	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.9	176.1	-177.4	0	0	0	0	111.3	H499 F501 A531 G533 V534 C548	H499-C529 HydrophobicContact CB-CB 4.11Å; H499-C529 PolarHBondContact ND1-SG 3.37Å; H499-C529 VanDerWaalsContact ND1-SG 3.4Å; F501-C529 HydrophobicContact CD1-CB 4.09Å; F501-C529 HydrophobicContact CE1-CB 4.01Å; C529-A531 VanDerWaalsContact C-N 3.26Å; C529-A531 PolarHBondContact O-N 2.85Å; C529-A531 PolarHBondContact SG-N 2.89Å; C529-G533 WeakPolarHBondContact O-CA 3.33Å; C529-G533 PolarHBondContact O-N 3.37Å; C529-V534 HydrophobicContact CB-CG1 3.79Å; C529-V534 PolarHBondContact N-O 3.16Å; C529-C548 PolarHBondContact SG-SG 2.89Å
530	K	72.6	Confident	71.1	Confident	157 Å²	157	68.4 Å²	68.4	68%	0.683	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.2	176.3	-82.2	176.7	157.8	169.8	0	113.7	T500 T502	T500-K530 HydrophobicContact CG2-CD 4.36Å; T500-K530 WeakPolarHBondContact O-CB 3.45Å; T500-K530 PolarHBondContact O-N 2.99Å; T502-K530 HydrophobicContact CG2-CD 3.97Å; T502-K530 VanDerWaalsContact CG2-CE 3.47Å; T502-K530 HydrophobicContact CG2-CG 4.16Å
531	A	62.6	Low	71.7	Confident	40 Å²	40	64.1 Å²	64.1	33%	0.331	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-51.5	-172.7	0	0	0	0	0	113.4	C529 K550	C529-A531 VanDerWaalsContact C-N 3.26Å; C529-A531 PolarHBondContact O-N 2.85Å; C529-A531 PolarHBondContact SG-N 2.89Å; A531-K550 VanDerWaalsContact O-CG 3.24Å; A531-K550 WeakPolarHBondContact O-CG 3.17Å
532	C	66.7	Low	71.6	Confident	35 Å²	35	67.4 Å²	67.4	24%	0.236	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15	-179.7	68.7	0	0	0	0	114.7	H499 V534 R549	H499-C532 PolarHBondContact CE1-SG 2.85Å; H499-C532 PolarHBondContact ND1-SG 3.36Å; C532-V534 VanDerWaalsContact SG-CG1 3.53Å; C532-R549 WeakPolarHBondContact CB-O 3.39Å
533	G	74.7	Confident	71.9	Confident	28 Å²	28	66.9 Å²	66.9	29%	0.289	33%	0.331	S	S	.	.			trans	81.2	5.7	-178.5	0	0	0	0	0	116.2	K528 C529 N535	K528-G533 WeakPolarHBondContact CE-O 3.42Å; C529-G533 WeakPolarHBondContact O-CA 3.33Å; C529-G533 PolarHBondContact O-N 3.37Å; G533-N535 PolarHBondContact O-OD1 2.91Å
534	V	79.8	Confident	72	Confident	16 Å²	16	59 Å²	59	10%	0.097	30%	0.301	C	S	.	.			trans	-63	144.2	178	78	0	0	0	0	111.8	F501 E513 K528 C529 C532 L544	F501-V534 HydrophobicContact CE1-CG1 4Å; F501-V534 HydrophobicContact CZ-CG1 4.22Å; E513-V534 HydrophobicContact CB-CG2 3.41Å; E513-V534 VanDerWaalsContact CB-CG2 3.41Å; E513-V534 HydrophobicContact CG-CG2 3.56Å; K528-V534 CarbonylContact C-O 3.57Å; K528-V534 WeakPolarHBondContact CA-O 3.22Å; C529-V534 HydrophobicContact CB-CG1 3.79Å; C529-V534 PolarHBondContact N-O 3.16Å; C532-V534 VanDerWaalsContact SG-CG1 3.53Å; V534-L544 HydrophobicContact CG1-CD2 4.05Å
535	N	83.3	Confident	71.7	Confident	33 Å²	33	57.8 Å²	57.8	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.2	-176.3	-49.2	-57.8	0	0	0	110.6	Y506 T510 E513 I519 Y527 K528 G533	Y506-N535 HydrophobicContact CE1-CB 4.21Å; Y506-N535 WeakPolarHBondContact CE1-OD1 3.38Å; Y506-N535 WeakPolarHBondContact OH-CB 3.36Å; Y506-N535 PolarHBondContact OH-OD1 2.84Å; T510-N535 HydrophobicContact CG2-CB 3.9Å; E513-N535 PolarHBondContact N-O 2.94Å; I519-N535 HydrophobicContact CD1-CB 4.14Å; Y527-N535 WeakPolarHBondContact O-CA 3.4Å; K528-N535 WeakPolarHBondContact CD-OD1 3.5Å; K528-N535 WeakPolarHBondContact CG-OD1 3.35Å; G533-N535 PolarHBondContact O-OD1 2.91Å
536	C	84.3	Confident	71.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.9	176.2	73	0	0	0	0	114	F501 C512 G526 Y527 C540 L544	F501-C536 VanDerWaalsContact CE1-SG 3.57Å; C512-C536 VanDerWaalsContact SG-CA 3.55Å; G526-C536 WeakPolarHBondContact CA-O 3.48Å; Y527-C536 PolarHBondContact N-O 3.11Å; Y527-C536 PolarHBondContact O-N 3.02Å; C536-C540 HydrophobicContact CB-CB 4.29Å; C536-L544 HydrophobicContact CB-CD1 3.49Å; C536-L544 VanDerWaalsContact CB-CD1 3.49Å
537	H	81.9	Confident	69.7	Low	43 Å²	43	62.1 Å²	62.1	20%	0.199	33%	0.334	C	S	.	.			trans	-67.7	160.7	168.9	-55	108.6	0	0	0	112.1	C512 C515 F518 A539 C540 R541	C512-H537 WeakPolarHBondContact CB-CE1 3.43Å; C512-H537 WeakPolarHBondContact CB-ND1 3.2Å; C512-H537 PolarHBondContact SG-N 3.33Å; C512-H537 VanDerWaalsContact SG-N 3.45Å; C512-H537 PolarHBondContact SG-ND1 3.3Å; C512-H537 VanDerWaalsContact SG-ND1 3.36Å; C515-H537 VanDerWaalsContact SG-CE1 3.56Å; C515-H537 PolarHBondContact SG-ND1 2.82Å; F518-H537 PolarHBondContact O-NE2 2.87Å; H537-A539 VanDerWaalsContact C-N 3.32Å; H537-A539 PolarHBondContact O-N 3.45Å; H537-C540 HydrophobicContact CB-CB 4.27Å; H537-C540 PolarHBondContact O-N 3.36Å; H537-C540 VanDerWaalsContact O-N 3.11Å; H537-R541 PolarHBondContact O-N 3.41Å; H537-R541 VanDerWaalsContact O-N 3.11Å
538	K	78.5	Confident	68.4	Low	148 Å²	148	63.2 Å²	63.2	64%	0.643	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-45.4	173.7	-169.2	159	-175.2	169.8	0	113.2	Y527 R541	Y527-K538 HydrophobicContact CD2-CB 4.22Å; Y527-K538 HydrophobicContact CE2-CB 3.62Å; Y527-K538 HydrophobicContact CE2-CD 3.99Å; Y527-K538 HydrophobicContact CE2-CG 3.58Å; Y527-K538 WeakPolarHBondContact OH-CE 3.25Å; K538-R541 WeakPolarHBondContact O-CB 3.43Å
539	A	70.5	Confident	67.1	Low	75 Å²	75	67.3 Å²	67.3	62%	0.62	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.1	179.7	0	0	0	0	0	114	H537	H537-A539 VanDerWaalsContact C-N 3.32Å; H537-A539 PolarHBondContact O-N 3.45Å
540	C	72	Confident	65.4	Low	14 Å²	14	75.4 Å²	75.4	10%	0.095	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.7	178.4	-67.4	0	0	0	0	112.9	H514 C536 H537 S542 R543 L544	H514-C540 HydrophobicContact CB-CB 3.99Å; H514-C540 PolarHBondContact ND1-SG 3.4Å; H514-C540 VanDerWaalsContact ND1-SG 3.37Å; C536-C540 HydrophobicContact CB-CB 4.29Å; H537-C540 HydrophobicContact CB-CB 4.27Å; H537-C540 PolarHBondContact O-N 3.36Å; H537-C540 VanDerWaalsContact O-N 3.11Å; C540-S542 VanDerWaalsContact C-N 3.26Å; C540-S542 PolarHBondContact O-N 3.47Å; C540-R543 PolarHBondContact O-N 3.12Å; C540-L544 PolarHBondContact O-N 2.9Å
541	R	68.8	Low	63.7	Low	116 Å²	116	79.3 Å²	79.3	44%	0.438	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-41.1	-177.4	-177.4	-176.9	164.4	177.6	-3.8	113.6	F501 H537 K538 R543	F501-R541 HydrophobicContact CD2-CG 3.48Å; F501-R541 VanDerWaalsContact CD2-CG 3.48Å; F501-R541 HydrophobicContact CE2-CG 3.73Å; F501-R541 HydrophobicContact CG-CG 4.08Å; H537-R541 PolarHBondContact O-N 3.41Å; H537-R541 VanDerWaalsContact O-N 3.11Å; K538-R541 WeakPolarHBondContact O-CB 3.43Å; R541-R543 VanDerWaalsContact C-N 3.35Å
542	S	56.8	Low	62.2	Low	96 Å²	96	84 Å²	84	67%	0.671	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	3.8	-177.5	52.7	0	0	0	0	114.4	C540	C540-S542 VanDerWaalsContact C-N 3.26Å; C540-S542 PolarHBondContact O-N 3.47Å
543	R	58.1	Low	60.4	Low	181 Å²	181	91.9 Å²	91.9	68%	0.683	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-0.3	-178.1	-55.2	-175.9	-173.9	-173.1	0.1	112.9	H514 C540 R541 A545	H514-R543 PolarHBondContact CD2-O 3.36Å; H514-R543 WeakPolarHBondContact NE2-CB 3.35Å; H514-R543 PolarHBondContact NE2-O 2.92Å; C540-R543 PolarHBondContact O-N 3.12Å; R541-R543 VanDerWaalsContact C-N 3.35Å; R543-A545 PolarHBondContact O-N 2.71Å; R543-A545 VanDerWaalsContact O-N 3.1Å
544	L	53.4	Low	58.1	Low	9 Å²	9	96 Å²	96	5%	0.047	48%	0.482	C	S	.	.			trans	-74.2	102.1	-170	-163	133	0	0	0	111.7	H499 F501 E513 H514 V534 C536 C540 V546	H499-L544 WeakPolarHBondContact NE2-CD2 3.14Å; F501-L544 HydrophobicContact CZ-CD1 4.25Å; F501-L544 HydrophobicContact CZ-CD2 4.36Å; E513-L544 HydrophobicContact CB-CD1 4.41Å; H514-L544 HydrophobicContact CB-CD1 4.05Å; H514-L544 HydrophobicContact CB-CG 4.3Å; V534-L544 HydrophobicContact CG1-CD2 4.05Å; C536-L544 HydrophobicContact CB-CD1 3.49Å; C536-L544 VanDerWaalsContact CB-CD1 3.49Å; C540-L544 PolarHBondContact O-N 2.9Å; L544-V546 VanDerWaalsContact C-N 3.31Å; L544-V546 PolarHBondContact O-N 2.64Å; L544-V546 HydrophobicContact CD2-CB 3.94Å; L544-V546 HydrophobicContact CD2-CG2 4.42Å
545	A	51.9	Low	55.6	Low	79 Å²	79	102.8 Å²	102.8	65%	0.653	52%	0.516	S	S	*	.			trans	-82.1	3	-174.7	0	0	0	0	0	115.4	F497 R543	F497-A545 WeakPolarHBondContact CD2-O 2.98Å; R543-A545 PolarHBondContact O-N 2.71Å; R543-A545 VanDerWaalsContact O-N 3.1Å
546	V	55.8	Low	52.9	Low	66 Å²	66	106.2 Å²	106.2	40%	0.4	54%	0.542	S	S	.	.	S	Bend	trans	-79.8	141.3	-179.3	-177	0	0	0	0	110.3	H499 E513 L544	H499-V546 PolarHBondContact NE2-O 3.15Å; E513-V546 HydrophobicContact CG-CG2 4.14Å; L544-V546 VanDerWaalsContact C-N 3.31Å; L544-V546 PolarHBondContact O-N 2.64Å; L544-V546 HydrophobicContact CD2-CB 3.94Å; L544-V546 HydrophobicContact CD2-CG2 4.42Å
547	E	49.2	Very low	50.2	Low	61 Å²	61	115 Å²	115	29%	0.285	58%	0.583	S	S	.	*			trans	-68.7	147.9	176.2	-81.7	-172.5	-144.2	0	0	114.4	F497 R549	F497-E547 HydrophobicContact CD1-CG 3.75Å; F497-E547 HydrophobicContact CD2-CG 3.92Å; F497-E547 HydrophobicContact CE1-CG 3.59Å; F497-E547 HydrophobicContact CE2-CG 3.78Å; F497-E547 HydrophobicContact CG-CB 4.49Å; F497-E547 HydrophobicContact CG-CG 3.9Å; F497-E547 HydrophobicContact CZ-CG 3.6Å; E547-R549 PolarHBondContact OE2-NH2 2.96Å; E547-R549 IonicContact OE2-NH2 3.11Å; E547-R549 PolarHBondContact OE2-NE 3.14Å; E547-R549 IonicContact OE2-NE 2.69Å; E547-R549 IonicContact OE2-CZ 3.33Å; E547-R549 PolarHBondContact OE1-NH2 3.33Å; E547-R549 IonicContact OE1-NH2 2.67Å; E547-R549 PolarHBondContact O-N 2.85Å; E547-R549 HydrophobicContact CB-CG 4.27Å
548	C	55.2	Low	47.6	Very low	42 Å²	42	121.5 Å²	121.5	28%	0.284	61%	0.613	S	S	.	*			trans	-86.5	78.1	175.9	-157.8	0	0	0	0	113	H499 C529	H499-C548 PolarHBondContact ND1-SG 2.88Å; C529-C548 PolarHBondContact SG-SG 2.89Å
549	R	54.5	Low	45.1	Very low	172 Å²	172	120.8 Å²	120.8	65%	0.649	62%	0.621	S	S	*	*			trans	-101.1	130.4	176.8	-60.5	-173.2	-175.5	-178.6	5.7	112.5	C532 E547 R551	C532-R549 WeakPolarHBondContact CB-O 3.39Å; E547-R549 PolarHBondContact OE2-NH2 2.96Å; E547-R549 IonicContact OE2-NH2 3.11Å; E547-R549 PolarHBondContact OE2-NE 3.14Å; E547-R549 IonicContact OE2-NE 2.69Å; E547-R549 IonicContact OE2-CZ 3.33Å; E547-R549 PolarHBondContact OE1-NH2 3.33Å; E547-R549 IonicContact OE1-NH2 2.67Å; E547-R549 PolarHBondContact O-N 2.85Å; E547-R549 HydrophobicContact CB-CG 4.27Å; R549-R551 PolarHBondContact O-N 3.25Å
550	K	42.8	Very low	43.1	Very low	172 Å²	172	122.5 Å²	122.5	75%	0.748	63%	0.627	S	S	*	*			trans	-71	121.2	169.5	-83.9	179.1	177.6	-179.7	0	109.6	A531 T552	A531-K550 VanDerWaalsContact O-CG 3.24Å; A531-K550 WeakPolarHBondContact O-CG 3.17Å; K550-T552 PolarHBondContact O-N 2.81Å
551	R	37.9	Very low	41.1	Very low	239 Å²	239	127.9 Å²	127.9	90%	0.902	66%	0.661	S	S	*	*			trans	-69.7	113	164.9	-83.5	-174	178.8	173.3	1.9	109.3	R549 K553	R549-R551 PolarHBondContact O-N 3.25Å; R551-K553 PolarHBondContact O-N 3.11Å
552	T	29.3	Very low	39.4	Very low	139 Å²	139	126.8 Å²	126.8	85%	0.853	68%	0.677	S	S	*	*			trans	-58.3	125.6	157.3	6	0	0	0	0	108	K550 S554	K550-T552 PolarHBondContact O-N 2.81Å; T552-S554 PolarHBondContact O-N 2.99Å; T552-S554 VanDerWaalsContact O-N 3.16Å
553	K	29.1	Very low	38	Very low	201 Å²	201	129.4 Å²	129.4	87%	0.874	68%	0.683	S	S	*	*			trans	-67.4	112.3	174.2	-72.5	178.7	175.7	179.1	0	108.2	R551 I555	R551-K553 PolarHBondContact O-N 3.11Å; K553-I555 PolarHBondContact O-N 2.88Å
554	S	27.4	Very low	36.5	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-63.2	127.6	162.1	49.3	0	0	0	0	108.5	T552	T552-S554 PolarHBondContact O-N 2.99Å; T552-S554 VanDerWaalsContact O-N 3.16Å
555	I	26.4	Very low	35.3	Very low	158 Å²	158	133.6 Å²	133.6	81%	0.81	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-63.3	139.1	177.6	-70.7	164.5	0	0	0	108.9	K553	K553-I555 PolarHBondContact O-N 2.88Å
556	S	28	Very low	34.1	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.6	175.4	45.9	0	0	0	0	111.5
557	H	26.8	Very low	32.7	Very low	185 Å²	185	141.7 Å²	141.7	86%	0.856	75%	0.748	S	S	*	*			trans	-119.8	149.4	151.4	-110.2	-84.3	0	0	0	109.3
558	E	26.9	Very low	31.6	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-82.1	165.7	-156.9	-59.4	-179.6	129.2	0	0	115
559	T	27.3	Very low	30.1	Very low	133 Å²	133	150.8 Å²	150.8	82%	0.816	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-50.1	139.2	174.4	-9.7	0	0	0	0	114.3
560	P	28.3	Very low	28.7	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.5	139.5	152.4	7	11.5	0	0	0	110.7
561	P	30	Very low	28.1	Very low	127 Å²	127	149.3 Å²	149.3	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.3	156.5	170.5	32.8	-34.3	0	0	0	111.6
562	A	32.6	Very low	28.1	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.5	151.7	172.2	0	0	0	0	0	111.8
563	L	27.4	Very low	28.1	Very low	151 Å²	151	142.7 Å²	142.7	79%	0.791	79%	0.79	S	S	*	*			trans	-175.9	131.7	139.1	-99.1	166.2	0	0	0	112.7
564	Q	26.5	Very low	28	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	79%	0.785	S	S	*	*			trans	64.1	135.3	147.5	-73.3	170.8	4.3	0	0	122.7
565	A	28.7	Very low	28	Very low	97 Å²	97	139 Å²	139	80%	0.802	78%	0.783	S	S	*	*			trans	-80.8	157.3	171.5	0	0	0	0	0	112.7
566	R	25.4	Very low	28.1	Very low	218 Å²	218	137.2 Å²	137.2	82%	0.823	78%	0.78	S	S	*	*			trans	-153.6	138.3	148.7	-111.7	170.8	-162.9	-168.4	4.2	112.3
567	S	26.6	Very low	28.9	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	78%	0.78	S	S	*	*			trans	-90.3	149.7	174.9	40.9	0	0	0	0	111.5
568	Y	26.6	Very low	29.8	Very low	204 Å²	204	133.8 Å²	133.8	80%	0.8	77%	0.772	S	S	*	*			trans	-145.3	149.8	158.5	-74.9	-71.3	0	0	0	110
569	S	23.8	Very low	29.9	Very low	90 Å²	90	129.8 Å²	129.8	63%	0.629	76%	0.764	S	S	*	*			trans	-139.8	158.8	-163.9	-52.9	0	0	0	0	112.9
570	F	24.3	Very low	30	Very low	194 Å²	194	130.2 Å²	130.2	85%	0.851	76%	0.76	S	S	*	*			trans	74.8	160.5	162.5	-61.1	-67.6	0	0	0	119.2
571	P	30.9	Very low	30	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	76%	0.762	S	S	*	*			cis	-129.4	177	-6.4	21.3	3.5	0	0	0	116.2
572	P	37.3	Very low	29.9	Very low	111 Å²	111	133 Å²	133	72%	0.721	76%	0.757	S	S	*	*			trans	-102.1	167.7	174.1	40.4	-34.7	0	0	0	114.5
573	P	31.1	Very low	29.7	Very low	129 Å²	129	134.2 Å²	134.2	84%	0.838	76%	0.755	S	S	*	*				-150.4	178.5	116.3	38.4	-22.2	0	0	0	113.5
574	A	26.5	Very low	29.8	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	75%	0.753	S	S	*	*			cis	-165.8	136.9	-34.7	0	0	0	0	0	110.8
575	N	26.1	Very low	29.9	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	76%	0.755	S	S	*	*			trans	34	107.4	145.5	-74.6	3.3	0	0	0	125.7
576	T	28.6	Very low	29.9	Very low	122 Å²	122	132 Å²	132	75%	0.748	75%	0.751	S	S	*	*				70.2	-174.9	117.8	66.1	0	0	0	0	121.1
577	P	46.4	Very low	30.2	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	75%	0.753	S	S	*	*				-131.9	-147.1	-89.3	46.5	-27.2	0	0	0	111.4
578	P	45.4	Very low	30.3	Very low	105 Å²	105	135 Å²	135	68%	0.682	76%	0.763	S	S	*	*			cis	-138.1	172.5	-14.4	41.6	-23.1	0	0	0	117.6
579	S	29.1	Very low	30.4	Very low	94 Å²	94	132.3 Å²	132.3	66%	0.657	76%	0.762	S	S	*	*			trans	42.2	140.5	138.4	70.7	0	0	0	0	124.3
580	L	28.9	Very low	30.6	Very low	142 Å²	142	136.3 Å²	136.3	74%	0.743	78%	0.775	S	S	*	*				-171.9	159.9	99.9	-107	163.2	0	0	0	116.3
581	Q	28.3	Very low	30.7	Very low	165 Å²	165	135 Å²	135	77%	0.771	77%	0.772	S	S	*	*			trans	76.4	112	168.7	-67.3	164.6	-1.6	0	0	117
582	N	28	Very low	30.6	Very low	134 Å²	134	135.1 Å²	135.1	72%	0.717	77%	0.77	S	S	*	*				77.8	137.5	51.1	-67.2	5.9	0	0	0	112.5
583	T	27.6	Very low	30.1	Very low	117 Å²	117	136.5 Å²	136.5	72%	0.718	78%	0.776	S	S	*	*			cis	-164.6	147.6	-9.7	15.5	0	0	0	0	109.7
584	V	30	Very low	30.1	Very low	123 Å²	123	139 Å²	139	75%	0.745	78%	0.777	S	S	*	*			trans	23	124.8	139.4	-174.2	0	0	0	0	120.2
585	I	28.9	Very low	30.1	Very low	173 Å²	173	143.9 Å²	143.9	89%	0.887	78%	0.784	S	S	*	*			trans	-132.3	148.1	131	-61.6	-174.9	0	0	0	107.2
586	A	28.6	Very low	30.2	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	78%	0.782	S	S	*	*			trans	-97.2	172.5	-164.4	0	0	0	0	0	115.5
587	E	31.3	Very low	30.1	Very low	186 Å²	186	141 Å²	141	87%	0.869	79%	0.785	S	S	*	*			trans	-71.4	158.4	172.3	-59.5	159.1	138.3	0	0	112.3
588	E	28.7	Very low	29.2	Very low	191 Å²	191	144 Å²	144	89%	0.893	79%	0.787	S	S	*	*				-168.4	159.6	121.7	-109.6	175.5	-170.2	0	0	111.8
589	D	27.8	Very low	28.4	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	79%	0.79	S	S	*	*			trans	-76.7	168.2	-166	-58.6	-77.2	0	0	0	115.9
590	I	28.5	Very low	28.6	Very low	174 Å²	174	146.7 Å²	146.7	89%	0.892	79%	0.793	S	S	*	*			trans	-147.4	140.5	142.7	-97.7	146.9	0	0	0	109.6
591	E	27.6	Very low	28.7	Very low	167 Å²	167	147.7 Å²	147.7	78%	0.78	79%	0.793	S	S	*	*			trans	-82	160.7	-171.2	-61.4	173	111.5	0	0	115.1
592	T	27.5	Very low	28.8	Very low	120 Å²	120	151.7 Å²	151.7	74%	0.736	82%	0.818	S	S	*	*			trans	35.8	119	144.3	58.4	0	0	0	0	121.1
593	V	28.4	Very low	28.8	Very low	140 Å²	140	152.6 Å²	152.6	85%	0.848	82%	0.823	S	S	*	*				-136.4	121.5	128	179.5	0	0	0	0	108.5
594	E	29.6	Very low	28.9	Very low	183 Å²	183	154.4 Å²	154.4	86%	0.855	83%	0.829	S	S	*	*			trans	-79.5	133.7	163.1	-65.6	-179.4	128.7	0	0	109.4
595	E	27.7	Very low	28.8	Very low	194 Å²	194	156.2 Å²	156.2	91%	0.907	83%	0.833	S	S	*	*			trans	-149.5	118.4	147.9	-117.5	174.6	-158.8	0	0	107.9
596	G	26.5	Very low	28.8	Very low	71 Å²	71	155.2 Å²	155.2	73%	0.732	83%	0.83	S	S	*	*			trans	-90	-176.5	-178.7	0	0	0	0	0	112.4
597	V	28.3	Very low	28.8	Very low	135 Å²	135	159.4 Å²	159.4	82%	0.818	84%	0.837	S	S	*	*			trans	-177.6	121.6	133.9	145.3	0	0	0	0	110.1
598	F	26.2	Very low	28.6	Very low	176 Å²	176	157.7 Å²	157.7	77%	0.772	84%	0.835	S	S	*	*			trans	31	110.4	151.9	-72	-94.9	0	0	0	121.8	V600	F598-V600 HydrophobicContact CB-CG2 4.44Å; F598-V600 HydrophobicContact CD1-CG2 4.33Å
599	D	29.3	Very low	28.6	Very low	137 Å²	137	155.3 Å²	155.3	73%	0.733	83%	0.831	S	S	*	*			trans	-60.5	128.3	136.5	175	18.5	0	0	0	111	H601	D599-H601 IonicContact OD1-ND1 2.76Å
600	V	32.4	Very low	28.7	Very low	118 Å²	118	155.8 Å²	155.8	72%	0.715	83%	0.834	S	S	*	*			trans	-148.5	126.3	152.8	-164.3	0	0	0	0	109.4	F598	F598-V600 HydrophobicContact CB-CG2 4.44Å; F598-V600 HydrophobicContact CD1-CG2 4.33Å
601	H	30.7	Very low	28.7	Very low	163 Å²	163	154.3 Å²	154.3	76%	0.755	83%	0.829	S	S	*	*			trans	-62.4	137.1	165.4	-66.9	3	0	0	0	112.3	D599	D599-H601 IonicContact OD1-ND1 2.76Å
602	L	30.4	Very low	28.8	Very low	248 Å²	248	153.2 Å²	153.2	100%	1.298	83%	0.834	S	S	*	*			trans	-162.2	0	147.9	-108.9	162.2	0	0	0	110.9

Retrieved 602 of 602 residues in 342.5 ms (Link to these results)

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