A0A087X892_POEFO Loading...

TBC1 domain family, member 32

AlphaFold DB , UniProt , Accession A0A087X892, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	57	Low	233 Å²	233	95.8 Å²	95.8	100%	1.148	55%	0.549	S	S	*	.				0	90.9	0	-72.1	-130	-72.3	0	0	107.9
2	S	36.2	Very low	59.3	Low	84 Å²	84	87.9 Å²	87.9	59%	0.587	50%	0.503	S	S	*	.			trans	-112.8	91.4	176.8	52.3	0	0	0	0	108	L4	S2-L4 PolarHBondContact O-N 3.26Å
3	Q	43.1	Very low	61.3	Low	192 Å²	192	82.8 Å²	82.8	90%	0.897	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-72.9	120.7	159.9	-73.3	-177.8	-15.5	0	0	106.2
4	L	51.4	Low	63.2	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-61.6	136.9	175.1	-72.1	166.8	0	0	0	108.9	S2 D8 T113 T117	S2-L4 PolarHBondContact O-N 3.26Å; L4-D8 WeakPolarHBondContact CA-OD2 3.35Å; L4-D8 HydrophobicContact CB-CB 4.06Å; L4-D8 HydrophobicContact CD2-CB 4Å; L4-D8 VanDerWaalsContact CD2-OD2 3.25Å; L4-D8 WeakPolarHBondContact CD2-OD2 3.32Å; L4-T113 HydrophobicContact CD1-CG2 3.82Å; L4-T113 HydrophobicContact CG-CG2 4.32Å; L4-T117 HydrophobicContact CD1-CG2 4.45Å
5	S	56.7	Low	65	Low	75 Å²	75	78.1 Å²	78.1	52%	0.524	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-77.3	157.6	-177.9	166.6	0	0	0	0	110.4	G7 D8	S5-G7 PolarHBondContact O-N 2.9Å; S5-G7 PolarHBondContact OG-N 3.27Å; S5-D8 PolarHBondContact N-OD2 3.34Å; S5-D8 WeakPolarHBondContact O-CB 3.16Å; S5-D8 PolarHBondContact O-N 3.4Å
6	A	53.8	Low	66.6	Low	72 Å²	72	74.3 Å²	74.3	60%	0.595	43%	0.428	S	S	*	.	H	α-helix	trans	-53.9	-20.6	170.8	0	0	0	0	0	113.4
7	G	57.6	Low	67.8	Low	42 Å²	42	75.1 Å²	75.1	43%	0.433	43%	0.426	S	S	.	.	H	α-helix	trans	-69.5	-31.8	171.4	0	0	0	0	0	114.3	S5 Q11	S5-G7 PolarHBondContact O-N 2.9Å; S5-G7 PolarHBondContact OG-N 3.27Å; G7-Q11 WeakPolarHBondContact O-CB 3.26Å; G7-Q11 PolarHBondContact O-N 2.73Å; G7-Q11 VanDerWaalsContact O-N 3.16Å
8	D	65	Low	69	Low	42 Å²	42	76.9 Å²	76.9	23%	0.225	43%	0.43	C	S	.	.	H	α-helix	trans	-73.2	-32.5	-179.9	-61.3	-42.5	0	0	0	111.2	L4 S5 L12	L4-D8 WeakPolarHBondContact CA-OD2 3.35Å; L4-D8 HydrophobicContact CB-CB 4.06Å; L4-D8 HydrophobicContact CD2-CB 4Å; L4-D8 VanDerWaalsContact CD2-OD2 3.25Å; L4-D8 WeakPolarHBondContact CD2-OD2 3.32Å; S5-D8 PolarHBondContact N-OD2 3.34Å; S5-D8 WeakPolarHBondContact O-CB 3.16Å; S5-D8 PolarHBondContact O-N 3.4Å; D8-L12 VanDerWaalsContact O-CB 3.25Å; D8-L12 WeakPolarHBondContact O-CB 3.35Å; D8-L12 PolarHBondContact O-N 3.23Å
9	E	70.9	Confident	70.2	Confident	77 Å²	77	73.7 Å²	73.7	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-46.8	175.2	-72	176.7	-179.3	0	0	112.1	Q11 L12 Q13 T117	E9-Q11 VanDerWaalsContact C-N 3.35Å; E9-L12 PolarHBondContact O-N 2.98Å; E9-Q13 WeakPolarHBondContact O-CB 3.31Å; E9-Q13 PolarHBondContact O-N 3.49Å; E9-T117 HydrophobicContact CG-CG2 3.9Å
10	V	74.6	Confident	71	Confident	96 Å²	96	73.6 Å²	73.6	58%	0.582	41%	0.41	S	S	*	.	H	α-helix	trans	-66.7	-39.2	179.2	177.4	0	0	0	0	111	S14	V10-S14 PolarHBondContact O-N 3.49Å; V10-S14 VanDerWaalsContact O-N 3.08Å
11	Q	82.4	Confident	71.8	Confident	99 Å²	99	78.1 Å²	78.1	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-47.1	175.4	-172.2	176.4	10	0	0	111.3	G7 E9 Q13 S14 L15	G7-Q11 WeakPolarHBondContact O-CB 3.26Å; G7-Q11 PolarHBondContact O-N 2.73Å; G7-Q11 VanDerWaalsContact O-N 3.16Å; E9-Q11 VanDerWaalsContact C-N 3.35Å; Q11-Q13 VanDerWaalsContact C-N 3.32Å; Q11-Q13 PolarHBondContact O-N 2.77Å; Q11-S14 WeakPolarHBondContact O-CB 3.36Å; Q11-S14 PolarHBondContact O-N 3.18Å; Q11-L15 HydrophobicContact CG-CD1 4.2Å; Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.44Å; Q11-L15 PolarHBondContact O-N 3.03Å
12	L	84.4	Confident	74.3	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-61.5	-41	177.6	-171.9	66.1	0	0	0	111.6	D8 E9 S14 L15 L16 F55 Y58 T117 M118 A121	D8-L12 VanDerWaalsContact O-CB 3.25Å; D8-L12 WeakPolarHBondContact O-CB 3.35Å; D8-L12 PolarHBondContact O-N 3.23Å; E9-L12 PolarHBondContact O-N 2.98Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 2.96Å; L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 2.88Å; L12-F55 HydrophobicContact CD1-CD2 4.04Å; L12-F55 HydrophobicContact CD1-CE2 3.64Å; L12-F55 HydrophobicContact CG-CE2 4.49Å; L12-Y58 HydrophobicContact CD1-CD1 3.92Å; L12-Y58 HydrophobicContact CD1-CE1 3.76Å; L12-T117 HydrophobicContact CD2-CG2 3.79Å; L12-M118 HydrophobicContact CD1-CE 4.14Å; L12-M118 HydrophobicContact CD2-CE 4.08Å; L12-M118 HydrophobicContact CD2-SD 4.2Å; L12-M118 HydrophobicContact CG-CE 4.43Å; L12-M118 HydrophobicContact CG-SD 4.49Å; L12-A121 HydrophobicContact CD2-CB 4.43Å
13	Q	85.3	Confident	76.8	Confident	21 Å²	21	66 Å²	66	10%	0.098	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-44.5	175.2	-171.1	179.3	32.4	0	0	111.9	E9 Q11 K17 A121 S124 L125	E9-Q13 WeakPolarHBondContact O-CB 3.31Å; E9-Q13 PolarHBondContact O-N 3.49Å; Q11-Q13 VanDerWaalsContact C-N 3.32Å; Q11-Q13 PolarHBondContact O-N 2.77Å; Q13-K17 WeakPolarHBondContact O-CB 3.5Å; Q13-K17 PolarHBondContact O-N 3.49Å; Q13-A121 HydrophobicContact CB-CB 4.39Å; Q13-S124 PolarHBondContact NE2-OG 2.97Å; Q13-L125 HydrophobicContact CG-CD1 4.2Å; Q13-L125 HydrophobicContact CG-CD2 3.69Å; Q13-L125 HydrophobicContact CG-CG 3.72Å
14	S	87.6	Confident	78.9	Confident	75 Å²	75	59.2 Å²	59.2	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-47	177.2	-175.9	0	0	0	0	112	V10 Q11 L12 L16 K17 Q18	V10-S14 PolarHBondContact O-N 3.49Å; V10-S14 VanDerWaalsContact O-N 3.08Å; Q11-S14 WeakPolarHBondContact O-CB 3.36Å; Q11-S14 PolarHBondContact O-N 3.18Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 3.11Å; S14-L16 PolarHBondContact O-N 2.9Å; S14-K17 PolarHBondContact O-N 2.95Å; S14-Q18 PolarHBondContact O-N 3.31Å
15	L	91.1	Very high	80.3	Confident	20 Å²	20	63.5 Å²	63.5	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-41.6	178.8	-69	175.4	0	0	0	112.1	Q11 L12 Q18 L19 E54 F55 Y58	Q11-L15 HydrophobicContact CG-CD1 4.2Å; Q11-L15 VanDerWaalsContact O-CG 3.3Å; Q11-L15 WeakPolarHBondContact O-CG 3.44Å; Q11-L15 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 2.96Å; L15-Q18 PolarHBondContact O-N 3.46Å; L15-L19 PolarHBondContact O-N 2.93Å; L15-E54 HydrophobicContact CD2-CB 3.56Å; L15-F55 HydrophobicContact CB-CB 4.12Å; L15-F55 HydrophobicContact CB-CD2 4.04Å; L15-Y58 HydrophobicContact CD1-CD2 4Å; L15-Y58 HydrophobicContact CD1-CG 3.85Å
16	L	89.4	Confident	81.4	Confident	17 Å²	17	63.9 Å²	63.9	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-41.3	176.3	-176	61.8	0	0	0	111.5	L12 S14 Q18 L19 L20 F55 M118 V122 L125	L12-L16 VanDerWaalsContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 2.88Å; S14-L16 PolarHBondContact O-N 2.9Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-L20 HydrophobicContact CG-CD1 4.34Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.4Å; L16-F55 HydrophobicContact CB-CD2 4.35Å; L16-F55 HydrophobicContact CB-CE2 4.17Å; L16-F55 HydrophobicContact CD1-CE2 4.01Å; L16-F55 HydrophobicContact CD1-CZ 4.02Å; L16-M118 HydrophobicContact CD2-SD 4.12Å; L16-V122 HydrophobicContact CD2-CG2 3.65Å; L16-L125 HydrophobicContact CB-CD1 4.35Å; L16-L125 HydrophobicContact CD2-CD1 3.8Å; L16-L125 HydrophobicContact CG-CD1 4.09Å
17	K	88	Confident	82.8	Confident	88 Å²	88	62.7 Å²	62.7	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-38.2	175.4	-170.5	171.1	-175.2	168	0	112	Q13 S14 R21 L125	Q13-K17 WeakPolarHBondContact O-CB 3.5Å; Q13-K17 PolarHBondContact O-N 3.49Å; S14-K17 PolarHBondContact O-N 2.95Å; K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.45Å; K17-R21 VanDerWaalsContact O-N 3.08Å; K17-L125 HydrophobicContact CB-CD2 4.26Å; K17-L125 HydrophobicContact CD-CD2 4.16Å; K17-L125 HydrophobicContact CG-CD2 4.48Å
18	Q	89.1	Confident	83.9	Confident	109 Å²	109	65.2 Å²	65.2	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-40.9	175.3	-173.4	179.4	-8	0	0	111.6	S14 L15 L16 R21 S22	S14-Q18 PolarHBondContact O-N 3.31Å; L15-Q18 PolarHBondContact O-N 3.46Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 2.8Å; Q18-R21 PolarHBondContact O-N 3.28Å; Q18-S22 PolarHBondContact O-N 3.06Å; Q18-S22 PolarHBondContact O-OG 3.47Å
19	L	90.8	Very high	84.4	Confident	16 Å²	16	65.8 Å²	65.8	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-51.7	173.4	179.3	68.4	0	0	0	110.9	L15 L16 R21 S22 I23 Y53 F55	L15-L19 PolarHBondContact O-N 2.93Å; L16-L19 PolarHBondContact O-N 3.44Å; L19-R21 PolarHBondContact O-N 3.05Å; L19-S22 PolarHBondContact O-N 2.89Å; L19-S22 PolarHBondContact O-OG 3.3Å; L19-I23 HydrophobicContact CD1-CG2 4.43Å; L19-I23 HydrophobicContact CG-CD1 4.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 2.95Å; L19-I23 VanDerWaalsContact O-N 3.08Å; L19-Y53 HydrophobicContact CD1-CD1 3.95Å; L19-Y53 HydrophobicContact CD1-CD2 3.5Å; L19-Y53 HydrophobicContact CD1-CE1 4.35Å; L19-Y53 HydrophobicContact CD1-CE2 3.92Å; L19-Y53 HydrophobicContact CD1-CG 3.52Å; L19-F55 HydrophobicContact CB-CB 4.3Å; L19-F55 HydrophobicContact CD2-CB 4.42Å; L19-F55 HydrophobicContact CD2-CD1 3.55Å; L19-F55 HydrophobicContact CD2-CE1 3.93Å; L19-F55 HydrophobicContact CD2-CG 4.11Å
20	L	88.1	Confident	84.8	Confident	71 Å²	71	63 Å²	63	37%	0.372	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-31.8	-179.8	-70.3	172.7	0	0	0	112.7	L16 S24 I27	L16-L20 HydrophobicContact CG-CD1 4.34Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.4Å; L20-S24 WeakPolarHBondContact O-CA 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 3.28Å; L20-S24 VanDerWaalsContact O-N 3.08Å; L20-I27 HydrophobicContact CD2-CD1 3.98Å
21	R	87.4	Confident	84.6	Confident	169 Å²	169	62.9 Å²	62.9	64%	0.638	35%	0.349	S	S	*	.	H	α-helix	trans	-71.8	-40.2	172.1	-77.2	176.8	174.8	179.2	-3.2	113	K17 Q18 L19 I23 S24	K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.45Å; K17-R21 VanDerWaalsContact O-N 3.08Å; Q18-R21 PolarHBondContact O-N 3.28Å; L19-R21 PolarHBondContact O-N 3.05Å; R21-I23 PolarHBondContact O-N 3.15Å; R21-S24 WeakPolarHBondContact O-CB 3.46Å; R21-S24 PolarHBondContact O-N 3.48Å; R21-S24 PolarHBondContact O-OG 2.77Å
22	S	86.9	Confident	84.7	Confident	60 Å²	60	60.5 Å²	60.5	42%	0.42	34%	0.343	S	S	.	.	H	α-helix	trans	-71.7	-22.7	-178.5	65.7	0	0	0	0	112.9	Q18 L19 Y53	Q18-S22 PolarHBondContact O-N 3.06Å; Q18-S22 PolarHBondContact O-OG 3.47Å; L19-S22 PolarHBondContact O-N 2.89Å; L19-S22 PolarHBondContact O-OG 3.3Å; S22-Y53 WeakPolarHBondContact OG-CE1 3.37Å
23	I	88.9	Confident	84.5	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	10.7	175.3	71.2	-176.4	0	0	0	112.8	L19 R21 D25 K26 I27 L40 L43 Y53	L19-I23 HydrophobicContact CD1-CG2 4.43Å; L19-I23 HydrophobicContact CG-CD1 4.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 2.95Å; L19-I23 VanDerWaalsContact O-N 3.08Å; R21-I23 PolarHBondContact O-N 3.15Å; I23-D25 PolarHBondContact O-N 3.33Å; I23-K26 WeakPolarHBondContact O-CA 3.45Å; I23-K26 WeakPolarHBondContact O-CB 2.93Å; I23-K26 PolarHBondContact O-N 3.44Å; I23-I27 HydrophobicContact CD1-CD1 3.84Å; I23-I27 HydrophobicContact CD1-CG1 4.39Å; I23-I27 HydrophobicContact CG1-CD1 3.62Å; I23-I27 HydrophobicContact CG1-CG1 4.11Å; I23-I27 PolarHBondContact O-N 2.96Å; I23-L40 HydrophobicContact CD1-CD2 3.49Å; I23-L40 VanDerWaalsContact CD1-CD2 3.49Å; I23-L43 HydrophobicContact CD1-CD1 3.81Å; I23-L43 HydrophobicContact CD1-CD2 4.44Å; I23-L43 HydrophobicContact CG2-CD2 4.44Å; I23-Y53 HydrophobicContact CG2-CE2 4.32Å
24	S	86.8	Confident	84.5	Confident	50 Å²	50	70.4 Å²	70.4	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-57.7	-37	-175.6	62.7	0	0	0	0	112.5	L20 R21 K26 I27 S28	L20-S24 WeakPolarHBondContact O-CA 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 3.28Å; L20-S24 VanDerWaalsContact O-N 3.08Å; R21-S24 WeakPolarHBondContact O-CB 3.46Å; R21-S24 PolarHBondContact O-N 3.48Å; R21-S24 PolarHBondContact O-OG 2.77Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.45Å; S24-I27 PolarHBondContact O-N 3.35Å; S24-S28 VanDerWaalsContact O-CB 3.23Å; S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.92Å; S24-S28 PolarHBondContact O-OG 2.82Å
25	D	81.3	Confident	84.1	Confident	132 Å²	132	68.5 Å²	68.5	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-70.6	-28.8	-179.4	-61.4	-11.5	0	0	0	111.5	I23 S28 G29	I23-D25 PolarHBondContact O-N 3.33Å; D25-S28 WeakPolarHBondContact CA-OG 3.24Å; D25-G29 PolarHBondContact O-N 3.29Å
26	K	81.2	Confident	83.7	Confident	83 Å²	83	68.2 Å²	68.2	36%	0.361	38%	0.384	S	S	.	.	H	α-helix	trans	-77.1	-38.4	175.9	-59.9	-177.2	179.4	-178.1	0	111.5	I23 S24 I39 D47	I23-K26 WeakPolarHBondContact O-CA 3.45Å; I23-K26 WeakPolarHBondContact O-CB 2.93Å; I23-K26 PolarHBondContact O-N 3.44Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.45Å; K26-I39 HydrophobicContact CB-CG2 4.4Å; K26-D47 IonicContact NZ-OD1 3.91Å; K26-D47 PolarHBondContact NZ-OD1 3.03Å; K26-D47 IonicContact NZ-OD2 3.47Å; K26-D47 PolarHBondContact NZ-OD2 3.28Å
27	I	82.9	Confident	83.5	Confident	48 Å²	48	73.3 Å²	73.3	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-72.6	-47	176.5	-62.8	172.5	0	0	0	110.7	L20 I23 S24 G29 A30 A36 L40	L20-I27 HydrophobicContact CD2-CD1 3.98Å; I23-I27 HydrophobicContact CD1-CD1 3.84Å; I23-I27 HydrophobicContact CD1-CG1 4.39Å; I23-I27 HydrophobicContact CG1-CD1 3.62Å; I23-I27 HydrophobicContact CG1-CG1 4.11Å; I23-I27 PolarHBondContact O-N 2.96Å; S24-I27 PolarHBondContact O-N 3.35Å; I27-G29 VanDerWaalsContact C-N 3.27Å; I27-G29 PolarHBondContact O-N 3.11Å; I27-A30 WeakPolarHBondContact O-CB 3.21Å; I27-A30 PolarHBondContact O-N 3.06Å; I27-A36 HydrophobicContact CG2-CB 4.2Å; I27-L40 HydrophobicContact CD1-CD2 4.07Å; I27-L40 HydrophobicContact CG1-CD2 4.42Å
28	S	80.6	Confident	83.3	Confident	95 Å²	95	74.7 Å²	74.7	66%	0.664	42%	0.415	S	S	*	.	H	α-helix	trans	-70.6	-23.6	179.4	60	0	0	0	0	113.2	S24 D25 A30	S24-S28 VanDerWaalsContact O-CB 3.23Å; S24-S28 WeakPolarHBondContact O-CB 3.47Å; S24-S28 PolarHBondContact O-N 2.92Å; S24-S28 PolarHBondContact O-OG 2.82Å; D25-S28 WeakPolarHBondContact CA-OG 3.24Å; S28-A30 VanDerWaalsContact C-N 3.26Å
29	G	74.3	Confident	83.1	Confident	53 Å²	53	71.6 Å²	71.6	55%	0.546	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8	168.9	0	0	0	0	0	114.3	D25 I27	D25-G29 PolarHBondContact O-N 3.29Å; I27-G29 VanDerWaalsContact C-N 3.27Å; I27-G29 PolarHBondContact O-N 3.11Å
30	A	80.8	Confident	82.8	Confident	19 Å²	19	74.2 Å²	74.2	16%	0.157	42%	0.416	C	S	.	.			trans	-73.9	134.4	-179.7	0	0	0	0	0	111.1	I27 S28 S32 C35 A36 I39	I27-A30 WeakPolarHBondContact O-CB 3.21Å; I27-A30 PolarHBondContact O-N 3.06Å; S28-A30 VanDerWaalsContact C-N 3.26Å; A30-S32 VanDerWaalsContact C-N 3.3Å; A30-S32 PolarHBondContact O-N 2.72Å; A30-C35 HydrophobicContact CB-CB 4.5Å; A30-A36 HydrophobicContact CB-CB 3.79Å; A30-I39 HydrophobicContact CB-CD1 3.88Å
31	P	70.4	Confident	82.8	Confident	93 Å²	93	76.9 Å²	76.9	60%	0.604	43%	0.429	S	S	*	.	S	Bend	trans	-73.8	-16.6	-175.6	29.6	-36.3	0	0	0	114.4	C35	P31-C35 VanDerWaalsContact CD-SG 3.6Å; P31-C35 HydrophobicContact CG-CB 3.93Å
32	S	83.1	Confident	82.7	Confident	49 Å²	49	72.4 Å²	72.4	34%	0.343	42%	0.415	S	S	.	.	S	Bend	trans	-155.4	168.5	176.2	80.1	0	0	0	0	110.9	A30 E34 C35 A36	A30-S32 VanDerWaalsContact C-N 3.3Å; A30-S32 PolarHBondContact O-N 2.72Å; S32-E34 VanDerWaalsContact C-N 3.3Å; S32-E34 WeakPolarHBondContact CB-OE2 3.22Å; S32-E34 PolarHBondContact O-N 2.88Å; S32-E34 PolarHBondContact OG-N 3.28Å; S32-E34 PolarHBondContact OG-OE2 3.26Å; S32-C35 PolarHBondContact O-N 2.67Å; S32-C35 PolarHBondContact OG-N 2.69Å; S32-A36 PolarHBondContact O-N 3.08Å
33	T	80.8	Confident	82.7	Confident	109 Å²	109	70 Å²	70	67%	0.669	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-37.9	175.9	37.1	0	0	0	0	112.4	C35 A36 E37	T33-C35 VanDerWaalsContact C-N 3.34Å; T33-C35 PolarHBondContact O-N 3.28Å; T33-A36 PolarHBondContact O-N 3.28Å; T33-E37 PolarHBondContact O-N 3.46Å
34	E	85.2	Confident	82.7	Confident	122 Å²	122	75.8 Å²	75.8	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-67.5	-36.8	178	-55.5	72.1	-150.6	0	0	111.1	S32 E37 E38	S32-E34 VanDerWaalsContact C-N 3.3Å; S32-E34 WeakPolarHBondContact CB-OE2 3.22Å; S32-E34 PolarHBondContact O-N 2.88Å; S32-E34 PolarHBondContact OG-N 3.28Å; S32-E34 PolarHBondContact OG-OE2 3.26Å; E34-E37 WeakPolarHBondContact O-CB 3.48Å; E34-E37 PolarHBondContact O-N 3Å; E34-E38 PolarHBondContact O-N 2.97Å
35	C	78.5	Confident	82.6	Confident	35 Å²	35	80.9 Å²	80.9	24%	0.236	44%	0.443	C	S	.	.	H	α-helix	trans	-73	-35	176.5	-169.6	0	0	0	0	111.8	A30 P31 S32 T33 E37 E38 I39	A30-C35 HydrophobicContact CB-CB 4.5Å; P31-C35 VanDerWaalsContact CD-SG 3.6Å; P31-C35 HydrophobicContact CG-CB 3.93Å; S32-C35 PolarHBondContact O-N 2.67Å; S32-C35 PolarHBondContact OG-N 2.69Å; T33-C35 VanDerWaalsContact C-N 3.34Å; T33-C35 PolarHBondContact O-N 3.28Å; C35-E37 VanDerWaalsContact C-N 3.3Å; C35-E38 PolarHBondContact O-N 3Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.11Å; C35-I39 PolarHBondContact O-N 3.27Å
36	A	83.1	Confident	82.6	Confident	14 Å²	14	78.8 Å²	78.8	12%	0.116	44%	0.435	C	S	.	.	H	α-helix	trans	-62.4	-40.2	171	0	0	0	0	0	111.4	I27 A30 S32 T33 I39 L40	I27-A36 HydrophobicContact CG2-CB 4.2Å; A30-A36 HydrophobicContact CB-CB 3.79Å; S32-A36 PolarHBondContact O-N 3.08Å; T33-A36 PolarHBondContact O-N 3.28Å; A36-I39 PolarHBondContact O-N 3.07Å; A36-L40 VanDerWaalsContact O-CG 3.3Å; A36-L40 WeakPolarHBondContact O-CG 3.3Å; A36-L40 PolarHBondContact O-N 3.28Å
37	E	85.1	Confident	82.8	Confident	124 Å²	124	75.3 Å²	75.3	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-63.5	-43.7	174.2	-170.5	177	-177.9	0	0	111.8	T33 E34 C35 I39 L40 L41	T33-E37 PolarHBondContact O-N 3.46Å; E34-E37 WeakPolarHBondContact O-CB 3.48Å; E34-E37 PolarHBondContact O-N 3Å; C35-E37 VanDerWaalsContact C-N 3.3Å; E37-I39 PolarHBondContact O-N 3.18Å; E37-L40 WeakPolarHBondContact O-CB 3.23Å; E37-L40 PolarHBondContact O-N 3.23Å; E37-L40 VanDerWaalsContact O-N 3.17Å; E37-L41 HydrophobicContact CG-CD1 4.33Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.86Å
38	E	83.9	Confident	82.9	Confident	116 Å²	116	83 Å²	83	54%	0.542	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-41.4	175.1	-168.2	178.2	-171.5	0	0	112	E34 C35 L40 L41 H42	E34-E38 PolarHBondContact O-N 2.97Å; C35-E38 PolarHBondContact O-N 3Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.35Å; E38-L41 PolarHBondContact O-N 2.89Å; E38-H42 PolarHBondContact O-CD2 3Å; E38-H42 VanDerWaalsContact O-CD2 3.29Å; E38-H42 PolarHBondContact O-N 3.38Å
39	I	84.6	Confident	83.2	Confident	44 Å²	44	82.7 Å²	82.7	23%	0.226	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-43.7	174.1	-69.7	166.1	0	0	0	110.6	K26 A30 C35 A36 E37 H42 L43	K26-I39 HydrophobicContact CB-CG2 4.4Å; A30-I39 HydrophobicContact CB-CD1 3.88Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.11Å; C35-I39 PolarHBondContact O-N 3.27Å; A36-I39 PolarHBondContact O-N 3.07Å; E37-I39 PolarHBondContact O-N 3.18Å; I39-H42 PolarHBondContact O-N 3.47Å; I39-L43 HydrophobicContact CG2-CD2 4.39Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 2.94Å
40	L	85.6	Confident	83.8	Confident	72 Å²	72	82 Å²	82	38%	0.377	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-40.8	177.7	-72.4	175.4	0	0	0	112.2	I23 I27 A36 E37 E38 H42 L43	I23-L40 HydrophobicContact CD1-CD2 3.49Å; I23-L40 VanDerWaalsContact CD1-CD2 3.49Å; I27-L40 HydrophobicContact CD1-CD2 4.07Å; I27-L40 HydrophobicContact CG1-CD2 4.42Å; A36-L40 VanDerWaalsContact O-CG 3.3Å; A36-L40 WeakPolarHBondContact O-CG 3.3Å; A36-L40 PolarHBondContact O-N 3.28Å; E37-L40 WeakPolarHBondContact O-CB 3.23Å; E37-L40 PolarHBondContact O-N 3.23Å; E37-L40 VanDerWaalsContact O-N 3.17Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.35Å; L40-H42 VanDerWaalsContact C-N 3.35Å; L40-L43 HydrophobicContact CD2-CD1 3.86Å; L40-L43 WeakPolarHBondContact O-CG 3.49Å
41	L	86.8	Confident	84.2	Confident	127 Å²	127	85.5 Å²	85.5	67%	0.665	44%	0.438	S	S	*	.	H	α-helix	trans	-65	-37	178.2	-74.9	169.1	0	0	0	112.5	E37 E38	E37-L41 HydrophobicContact CG-CD1 4.33Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.86Å; E38-L41 PolarHBondContact O-N 2.89Å
42	H	86.3	Confident	85.1	Confident	74 Å²	74	85.3 Å²	85.3	34%	0.343	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	20.1	-177.2	-67	-79.3	0	0	0	113.5	E38 I39 L40 E44 E45 T46	E38-H42 PolarHBondContact O-CD2 3Å; E38-H42 VanDerWaalsContact O-CD2 3.29Å; E38-H42 PolarHBondContact O-N 3.38Å; I39-H42 PolarHBondContact O-N 3.47Å; L40-H42 VanDerWaalsContact C-N 3.35Å; H42-E44 PolarHBondContact O-N 2.91Å; H42-E45 IonicContact CE1-OE2 3.84Å; H42-E45 IonicContact CG-OE2 3.92Å; H42-E45 IonicContact ND1-OE2 2.6Å; H42-E45 PolarHBondContact ND1-OE2 3.06Å; H42-E45 PolarHBondContact O-N 3.04Å; H42-E45 VanDerWaalsContact O-N 3.11Å; H42-T46 HydrophobicContact CB-CG2 4.08Å; H42-T46 WeakPolarHBondContact O-CB 3.4Å; H42-T46 WeakPolarHBondContact O-CG2 3.49Å; H42-T46 PolarHBondContact O-N 2.65Å; H42-T46 PolarHBondContact O-OG1 3Å
43	L	87.1	Confident	85.5	Confident	10 Å²	10	84.6 Å²	84.6	5%	0.052	42%	0.422	C	S	.	.	H	α-helix	trans	-58	-36.1	179.1	-79.8	175.5	0	0	0	112.9	I23 I39 L40 E45 D47 F50	I23-L43 HydrophobicContact CD1-CD1 3.81Å; I23-L43 HydrophobicContact CD1-CD2 4.44Å; I23-L43 HydrophobicContact CG2-CD2 4.44Å; I39-L43 HydrophobicContact CG2-CD2 4.39Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 2.94Å; L40-L43 HydrophobicContact CD2-CD1 3.86Å; L40-L43 WeakPolarHBondContact O-CG 3.49Å; L43-E45 VanDerWaalsContact C-N 3.27Å; L43-E45 PolarHBondContact O-N 3.17Å; L43-D47 HydrophobicContact CD2-CB 4.46Å; L43-D47 WeakPolarHBondContact O-CA 3.24Å; L43-D47 WeakPolarHBondContact O-CB 3.31Å; L43-D47 PolarHBondContact O-N 3.2Å; L43-F50 HydrophobicContact CB-CD2 3.75Å; L43-F50 HydrophobicContact CB-CE2 3.84Å
44	E	87.6	Confident	85.9	Confident	123 Å²	123	83.6 Å²	83.6	58%	0.575	41%	0.41	S	S	*	.	H	α-helix	trans	-62	-36.3	177.8	-176.2	165.5	-151.3	0	0	112.5	H42 F50 H51	H42-E44 PolarHBondContact O-N 2.91Å; E44-F50 HydrophobicContact CB-CD1 3.69Å; E44-F50 HydrophobicContact CB-CD2 4.47Å; E44-F50 HydrophobicContact CB-CE1 3.49Å; E44-F50 VanDerWaalsContact CB-CE1 3.49Å; E44-F50 HydrophobicContact CB-CE2 4.29Å; E44-F50 HydrophobicContact CB-CG 4.19Å; E44-F50 HydrophobicContact CB-CZ 3.81Å; E44-F50 HydrophobicContact CG-CD1 3.68Å; E44-F50 HydrophobicContact CG-CE1 3.59Å; E44-F50 HydrophobicContact CG-CZ 4.39Å; E44-H51 IonicContact OE1-CE1 3.58Å
45	E	85.6	Confident	86.2	Confident	157 Å²	157	78.8 Å²	78.8	73%	0.734	39%	0.387	S	S	*	.	H	α-helix	trans	-87.1	-32.5	-177.2	-61.6	176.1	164.8	0	0	112.1	H42 L43	H42-E45 IonicContact CE1-OE2 3.84Å; H42-E45 IonicContact CG-OE2 3.92Å; H42-E45 IonicContact ND1-OE2 2.6Å; H42-E45 PolarHBondContact ND1-OE2 3.06Å; H42-E45 PolarHBondContact O-N 3.04Å; H42-E45 VanDerWaalsContact O-N 3.11Å; L43-E45 VanDerWaalsContact C-N 3.27Å; L43-E45 PolarHBondContact O-N 3.17Å
46	T	81	Confident	86.8	Confident	88 Å²	88	77.8 Å²	77.8	54%	0.54	38%	0.38	S	S	.	.	H	α-helix	trans	-98.7	-22.8	-170.5	60.5	0	0	0	0	113.6	H42	H42-T46 HydrophobicContact CB-CG2 4.08Å; H42-T46 WeakPolarHBondContact O-CB 3.4Å; H42-T46 WeakPolarHBondContact O-CG2 3.49Å; H42-T46 PolarHBondContact O-N 2.65Å; H42-T46 PolarHBondContact O-OG1 3Å
47	D	85.7	Confident	87.1	Confident	10 Å²	10	82.2 Å²	82.2	5%	0.053	39%	0.394	C	S	.	.			trans	-106.7	110.5	-178.1	-159.8	-21.3	0	0	0	112.7	K26 L43 N49 F50 Y53	K26-D47 IonicContact NZ-OD1 3.91Å; K26-D47 PolarHBondContact NZ-OD1 3.03Å; K26-D47 IonicContact NZ-OD2 3.47Å; K26-D47 PolarHBondContact NZ-OD2 3.28Å; L43-D47 HydrophobicContact CD2-CB 4.46Å; L43-D47 WeakPolarHBondContact O-CA 3.24Å; L43-D47 WeakPolarHBondContact O-CB 3.31Å; L43-D47 PolarHBondContact O-N 3.2Å; D47-N49 PolarHBondContact O-N 3.16Å; D47-N49 VanDerWaalsContact O-N 3.11Å; D47-N49 PolarHBondContact OD1-N 2.8Å; D47-F50 HydrophobicContact CB-CB 4.22Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 3.42Å; D47-Y53 PolarHBondContact OD2-OH 3.21Å
48	K	84.6	Confident	87.3	Confident	208 Å²	208	77.8 Å²	77.8	90%	0.904	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.1	175.5	-62.4	-177.1	-178.9	-179.7	0	113.1
49	N	87.3	Confident	87.6	Confident	89 Å²	89	74.2 Å²	74.2	48%	0.476	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	5.7	177.9	-68	-37.4	0	0	0	113.2	D47 H51 N52	D47-N49 PolarHBondContact O-N 3.16Å; D47-N49 VanDerWaalsContact O-N 3.11Å; D47-N49 PolarHBondContact OD1-N 2.8Å; N49-H51 VanDerWaalsContact C-N 3.31Å; N49-H51 PolarHBondContact O-N 3.27Å; N49-N52 WeakPolarHBondContact O-CA 3.07Å; N49-N52 WeakPolarHBondContact O-CB 3.49Å; N49-N52 PolarHBondContact O-N 3.38Å
50	F	87.6	Confident	87.8	Confident	40 Å²	40	78.7 Å²	78.7	18%	0.175	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-50	-49.2	-175.1	180	-109.5	0	0	0	113	L43 E44 D47 N52 Y53 V56	L43-F50 HydrophobicContact CB-CD2 3.75Å; L43-F50 HydrophobicContact CB-CE2 3.84Å; E44-F50 HydrophobicContact CB-CD1 3.69Å; E44-F50 HydrophobicContact CB-CD2 4.47Å; E44-F50 HydrophobicContact CB-CE1 3.49Å; E44-F50 VanDerWaalsContact CB-CE1 3.49Å; E44-F50 HydrophobicContact CB-CE2 4.29Å; E44-F50 HydrophobicContact CB-CG 4.19Å; E44-F50 HydrophobicContact CB-CZ 3.81Å; E44-F50 HydrophobicContact CG-CD1 3.68Å; E44-F50 HydrophobicContact CG-CE1 3.59Å; E44-F50 HydrophobicContact CG-CZ 4.39Å; D47-F50 HydrophobicContact CB-CB 4.22Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 3.42Å; F50-N52 PolarHBondContact O-N 3.15Å; F50-Y53 WeakPolarHBondContact O-CD2 3.28Å; F50-Y53 PolarHBondContact O-N 3.39Å; F50-V56 HydrophobicContact CD1-CG1 4.29Å; F50-V56 HydrophobicContact CD2-CG2 4.19Å; F50-V56 HydrophobicContact CE1-CG1 4Å; F50-V56 HydrophobicContact CE1-CG2 4.48Å; F50-V56 HydrophobicContact CE2-CG2 3.9Å; F50-V56 HydrophobicContact CZ-CG1 4.29Å; F50-V56 HydrophobicContact CZ-CG2 4.06Å; F50-V56 WeakPolarHBondContact O-CB 3.39Å; F50-V56 WeakPolarHBondContact O-CG2 3.19Å
51	H	88.8	Confident	87.8	Confident	91 Å²	91	81.7 Å²	81.7	42%	0.421	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-73.3	-8.4	179.5	-58.4	-46.1	0	0	0	114.6	E44 N49 R60	E44-H51 IonicContact OE1-CE1 3.58Å; N49-H51 VanDerWaalsContact C-N 3.31Å; N49-H51 PolarHBondContact O-N 3.27Å; H51-R60 PolarHBondContact ND1-NH2 3.5Å
52	N	88.2	Confident	87.8	Confident	89 Å²	89	76.7 Å²	76.7	48%	0.476	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-91.6	-10.3	179	-68.1	-28	0	0	0	113.5	N49 F50 R57	N49-N52 WeakPolarHBondContact O-CA 3.07Å; N49-N52 WeakPolarHBondContact O-CB 3.49Å; N49-N52 PolarHBondContact O-N 3.38Å; F50-N52 PolarHBondContact O-N 3.15Å; N52-R57 PolarHBondContact O-NH2 2.9Å; N52-R57 PolarHBondContact OD1-NH2 3.37Å
53	Y	91.7	Very high	87.9	Confident	34 Å²	34	75.9 Å²	75.9	13%	0.133	36%	0.356	C	S	.	.	S	Bend	trans	-70.8	131.7	175.8	-64.4	-55.6	0	0	0	111.3	L19 S22 I23 D47 F50 F55 V56 R57	L19-Y53 HydrophobicContact CD1-CD1 3.95Å; L19-Y53 HydrophobicContact CD1-CD2 3.5Å; L19-Y53 HydrophobicContact CD1-CE1 4.35Å; L19-Y53 HydrophobicContact CD1-CE2 3.92Å; L19-Y53 HydrophobicContact CD1-CG 3.52Å; S22-Y53 WeakPolarHBondContact OG-CE1 3.37Å; I23-Y53 HydrophobicContact CG2-CE2 4.32Å; D47-Y53 PolarHBondContact OD2-OH 3.21Å; F50-Y53 WeakPolarHBondContact O-CD2 3.28Å; F50-Y53 PolarHBondContact O-N 3.39Å; Y53-F55 PolarHBondContact O-N 2.95Å; Y53-V56 PolarHBondContact O-N 3.39Å; Y53-R57 PolarHBondContact O-N 3.18Å
54	E	89.8	Confident	87.9	Confident	89 Å²	89	81.8 Å²	81.8	42%	0.416	38%	0.383	S	S	.	.	H	α-helix	trans	-56.6	-34.9	177.6	-69.3	-57.3	142.9	0	0	112.4	L15 R57 Y58	L15-E54 HydrophobicContact CD2-CB 3.56Å; E54-R57 PolarHBondContact O-N 3.42Å; E54-R57 IonicContact OE1-CZ 3.38Å; E54-R57 IonicContact OE1-NH1 3.38Å; E54-R57 PolarHBondContact OE1-NH1 2.93Å; E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 3.46Å
55	F	90.9	Very high	87.8	Confident	21 Å²	21	79.7 Å²	79.7	9%	0.092	38%	0.382	C	S	.	.	H	α-helix	trans	-60	-45.4	171.7	178.9	-99.5	0	0	0	112.7	L12 L15 L16 L19 Y53 Y58 L59 M118	L12-F55 HydrophobicContact CD1-CD2 4.04Å; L12-F55 HydrophobicContact CD1-CE2 3.64Å; L12-F55 HydrophobicContact CG-CE2 4.49Å; L15-F55 HydrophobicContact CB-CB 4.12Å; L15-F55 HydrophobicContact CB-CD2 4.04Å; L16-F55 HydrophobicContact CB-CD2 4.35Å; L16-F55 HydrophobicContact CB-CE2 4.17Å; L16-F55 HydrophobicContact CD1-CE2 4.01Å; L16-F55 HydrophobicContact CD1-CZ 4.02Å; L19-F55 HydrophobicContact CB-CB 4.3Å; L19-F55 HydrophobicContact CD2-CB 4.42Å; L19-F55 HydrophobicContact CD2-CD1 3.55Å; L19-F55 HydrophobicContact CD2-CE1 3.93Å; L19-F55 HydrophobicContact CD2-CG 4.11Å; Y53-F55 PolarHBondContact O-N 2.95Å; F55-Y58 WeakPolarHBondContact O-CB 3.43Å; F55-Y58 PolarHBondContact O-N 3.03Å; F55-L59 HydrophobicContact CD1-CD1 4.03Å; F55-L59 HydrophobicContact CE1-CD1 3.52Å; F55-L59 HydrophobicContact CE1-CG 4.28Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å; F55-L59 HydrophobicContact CZ-CG 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 3.28Å; F55-M118 HydrophobicContact CE2-CE 3.62Å; F55-M118 HydrophobicContact CE2-SD 4.08Å; F55-M118 HydrophobicContact CZ-CE 3.35Å; F55-M118 HydrophobicContact CZ-SD 3.97Å
56	V	91.1	Very high	87.8	Confident	14 Å²	14	73.6 Å²	73.6	9%	0.085	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-35.4	179.8	176.2	0	0	0	0	111	F50 Y53 L59 R60	F50-V56 HydrophobicContact CD1-CG1 4.29Å; F50-V56 HydrophobicContact CD2-CG2 4.19Å; F50-V56 HydrophobicContact CE1-CG1 4Å; F50-V56 HydrophobicContact CE1-CG2 4.48Å; F50-V56 HydrophobicContact CE2-CG2 3.9Å; F50-V56 HydrophobicContact CZ-CG1 4.29Å; F50-V56 HydrophobicContact CZ-CG2 4.06Å; F50-V56 WeakPolarHBondContact O-CB 3.39Å; F50-V56 WeakPolarHBondContact O-CG2 3.19Å; Y53-V56 PolarHBondContact O-N 3.39Å; V56-L59 PolarHBondContact O-N 3.14Å; V56-R60 WeakPolarHBondContact O-CB 3.49Å; V56-R60 PolarHBondContact O-N 3.49Å
57	R	90.4	Very high	88.2	Confident	106 Å²	106	70.2 Å²	70.2	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-44	172.6	-67.7	177.9	-176.8	158.2	-1.9	111.7	N52 Y53 E54 R60 Q61	N52-R57 PolarHBondContact O-NH2 2.9Å; N52-R57 PolarHBondContact OD1-NH2 3.37Å; Y53-R57 PolarHBondContact O-N 3.18Å; E54-R57 PolarHBondContact O-N 3.42Å; E54-R57 IonicContact OE1-CZ 3.38Å; E54-R57 IonicContact OE1-NH1 3.38Å; E54-R57 PolarHBondContact OE1-NH1 2.93Å; R57-R60 PolarHBondContact O-N 2.79Å; R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 PolarHBondContact O-N 3.02Å
58	Y	89.4	Confident	88.3	Confident	31 Å²	31	70.7 Å²	70.7	12%	0.122	34%	0.343	C	S	.	.	H	α-helix	trans	-58.3	-47.8	174.2	176.2	-89	0	0	0	111.6	L12 L15 E54 F55 R60 Q61 H62	L12-Y58 HydrophobicContact CD1-CD1 3.92Å; L12-Y58 HydrophobicContact CD1-CE1 3.76Å; L15-Y58 HydrophobicContact CD1-CD2 4Å; L15-Y58 HydrophobicContact CD1-CG 3.85Å; E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 3.46Å; F55-Y58 WeakPolarHBondContact O-CB 3.43Å; F55-Y58 PolarHBondContact O-N 3.03Å; Y58-R60 PolarHBondContact O-N 3.35Å; Y58-Q61 PolarHBondContact O-N 3.46Å; Y58-H62 WeakPolarHBondContact O-CB 3.45Å; Y58-H62 PolarHBondContact O-N 3.1Å
59	L	89	Confident	88.5	Confident	42 Å²	42	64.7 Å²	64.7	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-43.5	176.9	-69.6	-177.8	0	0	0	112.2	F55 V56 H62 V63 L114 M118	F55-L59 HydrophobicContact CD1-CD1 4.03Å; F55-L59 HydrophobicContact CE1-CD1 3.52Å; F55-L59 HydrophobicContact CE1-CG 4.28Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å; F55-L59 HydrophobicContact CZ-CG 4.44Å; F55-L59 WeakPolarHBondContact O-CG 3.5Å; F55-L59 PolarHBondContact O-N 3.28Å; V56-L59 PolarHBondContact O-N 3.14Å; L59-H62 PolarHBondContact O-N 3.09Å; L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 3.32Å; L59-L114 HydrophobicContact CD2-CD1 3.69Å; L59-L114 HydrophobicContact CD2-CD2 3.96Å; L59-L114 HydrophobicContact CD2-CG 4.38Å; L59-M118 HydrophobicContact CD2-CE 4.42Å
60	R	88.6	Confident	88.5	Confident	138 Å²	138	61.4 Å²	61.4	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.7	-176.5	-175.7	-64.6	-90.7	1	111.4	H51 V56 R57 Y58 H62 V63 E64	H51-R60 PolarHBondContact ND1-NH2 3.5Å; V56-R60 WeakPolarHBondContact O-CB 3.49Å; V56-R60 PolarHBondContact O-N 3.49Å; R57-R60 PolarHBondContact O-N 2.79Å; Y58-R60 PolarHBondContact O-N 3.35Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 2.93Å; R60-V63 PolarHBondContact O-N 3.37Å; R60-E64 WeakPolarHBondContact O-CB 3.28Å; R60-E64 PolarHBondContact O-N 3.44Å
61	Q	87.3	Confident	88.6	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-37.2	178.4	-172.9	178.4	3.6	0	0	112.1	R57 Y58 E64 S65	R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 PolarHBondContact O-N 3.02Å; Y58-Q61 PolarHBondContact O-N 3.46Å; Q61-E64 PolarHBondContact O-N 2.92Å; Q61-S65 VanDerWaalsContact O-CB 3.32Å; Q61-S65 WeakPolarHBondContact O-CB 3.48Å; Q61-S65 PolarHBondContact O-N 2.88Å; Q61-S65 PolarHBondContact O-OG 3.42Å
62	H	85.8	Confident	88.5	Confident	21 Å²	21	64.4 Å²	64.4	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-41.6	175.1	-171.1	73.5	0	0	0	112	Y58 L59 R60 S65 S66	Y58-H62 WeakPolarHBondContact O-CB 3.45Å; Y58-H62 PolarHBondContact O-N 3.1Å; L59-H62 PolarHBondContact O-N 3.09Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 2.93Å; H62-S65 WeakPolarHBondContact CA-OG 3.27Å; H62-S65 PolarHBondContact O-OG 2.84Å; H62-S65 VanDerWaalsContact O-OG 3.11Å; H62-S66 WeakPolarHBondContact O-CB 3.39Å; H62-S66 PolarHBondContact O-N 2.9Å; H62-S66 VanDerWaalsContact O-N 3.09Å; H62-S66 PolarHBondContact O-OG 3.48Å
63	V	88.5	Confident	88.3	Confident	57 Å²	57	64.2 Å²	64.2	35%	0.345	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-44.8	174.5	172.3	0	0	0	0	111	L59 R60 S66 L67 M110	L59-V63 VanDerWaalsContact O-CG2 3.29Å; L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 3.32Å; R60-V63 PolarHBondContact O-N 3.37Å; V63-S66 PolarHBondContact O-N 3.07Å; V63-L67 HydrophobicContact CG1-CD1 3.87Å; V63-L67 HydrophobicContact CG1-CG 4.45Å; V63-L67 VanDerWaalsContact O-CB 3.32Å; V63-L67 WeakPolarHBondContact O-CB 3.46Å; V63-L67 PolarHBondContact O-N 3.17Å; V63-M110 HydrophobicContact CB-SD 4.34Å; V63-M110 HydrophobicContact CG2-CE 4.22Å; V63-M110 HydrophobicContact CG2-SD 4.06Å
64	E	87	Confident	87.9	Confident	135 Å²	135	64.4 Å²	64.4	63%	0.631	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-44.5	-179.5	-174.1	172.6	-172.9	0	0	112.2	R60 Q61 S66 G68	R60-E64 WeakPolarHBondContact O-CB 3.28Å; R60-E64 PolarHBondContact O-N 3.44Å; Q61-E64 PolarHBondContact O-N 2.92Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.33Å; E64-G68 WeakPolarHBondContact O-CA 3.47Å; E64-G68 PolarHBondContact O-N 3.43Å
65	S	85.9	Confident	87.6	Confident	78 Å²	78	64.5 Å²	64.5	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-33.1	176.6	53.9	0	0	0	0	113.2	Q61 H62	Q61-S65 VanDerWaalsContact O-CB 3.32Å; Q61-S65 WeakPolarHBondContact O-CB 3.48Å; Q61-S65 PolarHBondContact O-N 2.88Å; Q61-S65 PolarHBondContact O-OG 3.42Å; H62-S65 WeakPolarHBondContact CA-OG 3.27Å; H62-S65 PolarHBondContact O-OG 2.84Å; H62-S65 VanDerWaalsContact O-OG 3.11Å
66	S	85.4	Confident	87.1	Confident	30 Å²	30	69.7 Å²	69.7	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-83.7	-36.7	-178.1	-59.2	0	0	0	0	113.2	H62 V63 E64	H62-S66 WeakPolarHBondContact O-CB 3.39Å; H62-S66 PolarHBondContact O-N 2.9Å; H62-S66 VanDerWaalsContact O-N 3.09Å; H62-S66 PolarHBondContact O-OG 3.48Å; V63-S66 PolarHBondContact O-N 3.07Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.33Å
67	L	89.9	Confident	86.4	Confident	17 Å²	17	72.2 Å²	72.2	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-105.6	-19.5	-175	-57.6	-176.7	0	0	0	114	V63 V70 V71 T101 Y107 M110	V63-L67 HydrophobicContact CG1-CD1 3.87Å; V63-L67 HydrophobicContact CG1-CG 4.45Å; V63-L67 VanDerWaalsContact O-CB 3.32Å; V63-L67 WeakPolarHBondContact O-CB 3.46Å; V63-L67 PolarHBondContact O-N 3.17Å; L67-V70 WeakPolarHBondContact O-CA 3.46Å; L67-V70 WeakPolarHBondContact O-CB 3.35Å; L67-V70 PolarHBondContact O-N 3.38Å; L67-V71 WeakPolarHBondContact O-CG2 3.25Å; L67-V71 PolarHBondContact O-N 2.84Å; L67-T101 HydrophobicContact CB-CG2 4.35Å; L67-T101 HydrophobicContact CD1-CG2 4.42Å; L67-T101 HydrophobicContact CD2-CG2 4.46Å; L67-Y107 HydrophobicContact CD1-CD2 3.77Å; L67-Y107 HydrophobicContact CD1-CE2 4.4Å; L67-Y107 HydrophobicContact CD2-CD2 4.3Å; L67-M110 HydrophobicContact CD1-CE 3.98Å; L67-M110 HydrophobicContact CD1-SD 4.09Å; L67-M110 HydrophobicContact CD2-SD 4.18Å; L67-M110 HydrophobicContact CG-CE 4.31Å; L67-M110 HydrophobicContact CG-SD 3.82Å
68	G	88	Confident	85.6	Confident	20 Å²	20	70 Å²	70	21%	0.206	36%	0.364	C	S	.	.	H	α-helix	trans	-49.9	-52.1	179.2	0	0	0	0	0	113.1	E64 V70 V71 E72	E64-G68 WeakPolarHBondContact O-CA 3.47Å; E64-G68 PolarHBondContact O-N 3.43Å; G68-V70 VanDerWaalsContact C-N 3.26Å; G68-V70 PolarHBondContact O-N 2.88Å; G68-V71 PolarHBondContact O-N 3.04Å; G68-E72 WeakPolarHBondContact O-CG 3.37Å; G68-E72 PolarHBondContact O-N 3.37Å
69	P	87.9	Confident	84.6	Confident	82 Å²	82	74 Å²	74	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-31	177.3	-24.2	34.5	0	0	0	114	D73	P69-D73 WeakPolarHBondContact O-CB 3.37Å; P69-D73 PolarHBondContact O-N 3.35Å
70	V	88.3	Confident	83.4	Confident	20 Å²	20	82.3 Å²	82.3	12%	0.121	42%	0.42	C	S	.	.	H	α-helix	trans	-75.8	-38.1	178.9	-178.2	0	0	0	0	111	L67 G68 E74 T101 Q106	L67-V70 WeakPolarHBondContact O-CA 3.46Å; L67-V70 WeakPolarHBondContact O-CB 3.35Å; L67-V70 PolarHBondContact O-N 3.38Å; G68-V70 VanDerWaalsContact C-N 3.26Å; G68-V70 PolarHBondContact O-N 2.88Å; V70-E74 WeakPolarHBondContact O-CB 3.49Å; V70-E74 WeakPolarHBondContact O-CG 3.45Å; V70-E74 PolarHBondContact O-N 2.89Å; V70-T101 HydrophobicContact CG1-CG2 4.24Å; V70-Q106 HydrophobicContact CG2-CB 3.81Å; V70-Q106 HydrophobicContact CG2-CG 3.78Å
71	V	88.2	Confident	81.8	Confident	56 Å²	56	78.9 Å²	78.9	34%	0.339	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-42.9	174.2	172.6	0	0	0	0	110.2	L67 G68 L75 V97 T101	L67-V71 WeakPolarHBondContact O-CG2 3.25Å; L67-V71 PolarHBondContact O-N 2.84Å; G68-V71 PolarHBondContact O-N 3.04Å; V71-L75 WeakPolarHBondContact O-CB 3.48Å; V71-L75 PolarHBondContact O-N 3.16Å; V71-V97 HydrophobicContact CG1-CG1 4.05Å; V71-T101 HydrophobicContact CG2-CG2 3.73Å
72	E	87.3	Confident	80.1	Confident	137 Å²	137	75.5 Å²	75.5	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-63.7	-44.1	176.2	-73.6	176.8	-172.9	0	0	112.2	G68 L75 Q76	G68-E72 WeakPolarHBondContact O-CG 3.37Å; G68-E72 PolarHBondContact O-N 3.37Å; E72-L75 PolarHBondContact O-N 3.01Å; E72-Q76 WeakPolarHBondContact O-CB 3.36Å; E72-Q76 PolarHBondContact O-N 3.43Å
73	D	84.9	Confident	78	Confident	85 Å²	85	83.3 Å²	83.3	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-44.1	177	-172.5	70.1	0	0	0	112.3	P69 L75 Q76 N77	P69-D73 WeakPolarHBondContact O-CB 3.37Å; P69-D73 PolarHBondContact O-N 3.35Å; D73-L75 PolarHBondContact O-N 3.07Å; D73-Q76 PolarHBondContact O-N 3.35Å; D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.96Å; D73-N77 PolarHBondContact O-ND2 3.42Å; D73-N77 VanDerWaalsContact O-ND2 3.09Å; D73-N77 PolarHBondContact OD2-ND2 2.81Å
74	E	83.1	Confident	76	Confident	39 Å²	39	89.7 Å²	89.7	18%	0.182	49%	0.491	C	S	.	.	H	α-helix	trans	-65.8	-36.5	175.7	-77.3	-65.8	167.4	0	0	112.7	V70 Q76 N77 L78 V97 R100	V70-E74 WeakPolarHBondContact O-CB 3.49Å; V70-E74 WeakPolarHBondContact O-CG 3.45Å; V70-E74 PolarHBondContact O-N 2.89Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; E74-N77 PolarHBondContact O-N 3.46Å; E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.45Å; E74-L78 VanDerWaalsContact O-N 3.11Å; E74-V97 HydrophobicContact CB-CG1 4.22Å; E74-R100 HydrophobicContact CG-CB 4.14Å; E74-R100 WeakPolarHBondContact OE2-CD 3.33Å; E74-R100 IonicContact OE2-CZ 2.67Å; E74-R100 IonicContact OE2-NE 4Å; E74-R100 IonicContact OE2-NH1 3.32Å; E74-R100 PolarHBondContact OE2-NH1 2.92Å
75	L	82.4	Confident	73.6	Confident	91 Å²	91	88.1 Å²	88.1	48%	0.476	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-36.8	174.7	-173.4	64.1	0	0	0	111.4	V71 E72 D73 T79 V97	V71-L75 WeakPolarHBondContact O-CB 3.48Å; V71-L75 PolarHBondContact O-N 3.16Å; E72-L75 PolarHBondContact O-N 3.01Å; D73-L75 PolarHBondContact O-N 3.07Å; L75-T79 PolarHBondContact O-N 2.8Å; L75-T79 PolarHBondContact O-OG1 3.1Å; L75-V97 HydrophobicContact CD1-CG2 4.41Å
76	Q	80.4	Confident	71.7	Confident	129 Å²	129	91.6 Å²	91.6	60%	0.603	52%	0.519	S	S	*	.	H	α-helix	trans	-73.3	-35	176.1	-160.6	170.7	21.9	0	0	112.3	E72 D73 E74 T79 R80	E72-Q76 WeakPolarHBondContact O-CB 3.36Å; E72-Q76 PolarHBondContact O-N 3.43Å; D73-Q76 PolarHBondContact O-N 3.35Å; E74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-T79 VanDerWaalsContact CA-OG1 3.3Å; Q76-T79 WeakPolarHBondContact CA-OG1 3.38Å; Q76-T79 PolarHBondContact O-N 3.36Å; Q76-T79 PolarHBondContact O-OG1 3.28Å; Q76-R80 PolarHBondContact O-N 3.3Å; Q76-R80 VanDerWaalsContact O-N 3.15Å
77	N	77.3	Confident	70.4	Confident	67 Å²	67	93.3 Å²	93.3	36%	0.358	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-36	175.9	-74.3	-35.1	0	0	0	112.4	D73 E74 T79 R80 G81	D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.96Å; D73-N77 PolarHBondContact O-ND2 3.42Å; D73-N77 VanDerWaalsContact O-ND2 3.09Å; D73-N77 PolarHBondContact OD2-ND2 2.81Å; E74-N77 PolarHBondContact O-N 3.46Å; N77-T79 VanDerWaalsContact C-N 3.33Å; N77-R80 PolarHBondContact O-N 3.21Å; N77-G81 PolarHBondContact O-N 3.09Å
78	L	72.6	Confident	68.3	Low	59 Å²	59	97.3 Å²	97.3	31%	0.309	57%	0.568	S	S	.	*	H	α-helix	trans	-67.9	-30.1	173.8	-74.2	169.3	0	0	0	113.3	E74 V96 V97	E74-L78 WeakPolarHBondContact O-CG 3.45Å; E74-L78 PolarHBondContact O-N 3.45Å; E74-L78 VanDerWaalsContact O-N 3.11Å; L78-V96 HydrophobicContact CD1-CG1 4.29Å; L78-V96 HydrophobicContact CD2-CG1 4.09Å; L78-V97 HydrophobicContact CD1-CG2 3.3Å
79	T	68.1	Low	66.8	Low	117 Å²	117	98.8 Å²	98.8	72%	0.718	58%	0.583	S	S	*	*	H	α-helix	trans	-81.3	-20.5	176.9	31.2	0	0	0	0	113	L75 Q76 N77	L75-T79 PolarHBondContact O-N 2.8Å; L75-T79 PolarHBondContact O-OG1 3.1Å; Q76-T79 VanDerWaalsContact CA-OG1 3.3Å; Q76-T79 WeakPolarHBondContact CA-OG1 3.38Å; Q76-T79 PolarHBondContact O-N 3.36Å; Q76-T79 PolarHBondContact O-OG1 3.28Å; N77-T79 VanDerWaalsContact C-N 3.33Å
80	R	63.9	Low	65.3	Low	216 Å²	216	103.1 Å²	103.1	82%	0.815	60%	0.596	S	S	*	*	H	α-helix	trans	-89.4	-25	-179.8	-145.4	172.6	179.1	-175.4	-0.9	113.8	Q76 N77 G82	Q76-R80 PolarHBondContact O-N 3.3Å; Q76-R80 VanDerWaalsContact O-N 3.15Å; N77-R80 PolarHBondContact O-N 3.21Å; R80-G82 VanDerWaalsContact C-N 3.34Å; R80-G82 PolarHBondContact O-N 3.34Å; R80-G82 VanDerWaalsContact O-N 3.09Å
81	G	56	Low	63.8	Low	65 Å²	65	108.1 Å²	108.1	67%	0.67	62%	0.623	S	S	*	*			trans	-81.5	65.4	177.9	0	0	0	0	0	113.7	N77	N77-G81 PolarHBondContact O-N 3.09Å
82	G	50.5	Low	62.8	Low	65 Å²	65	108.4 Å²	108.4	67%	0.67	62%	0.624	S	S	*	*			trans	-83.3	113.4	174.1	0	0	0	0	0	112.4	R80	R80-G82 VanDerWaalsContact C-N 3.34Å; R80-G82 PolarHBondContact O-N 3.34Å; R80-G82 VanDerWaalsContact O-N 3.09Å
83	Q	41.4	Very low	61.8	Low	184 Å²	184	104 Å²	104	86%	0.86	61%	0.609	S	S	*	*			trans	-163.9	114.5	146.7	-106	167.4	32.5	0	0	111.9
84	H	46.7	Very low	61.4	Low	192 Å²	192	104.2 Å²	104.2	89%	0.889	61%	0.613	S	S	*	*			trans	33.5	89.3	158.3	-57.6	-42.8	0	0	0	120.3
85	A	36.4	Very low	61.2	Low	101 Å²	101	109 Å²	109	84%	0.835	64%	0.635	S	S	*	*			trans	-156.1	141.4	141	0	0	0	0	0	110.5	G87	A85-G87 PolarHBondContact O-N 3.09Å
86	V	47.6	Very low	61.1	Low	152 Å²	152	107.2 Å²	107.2	92%	0.921	63%	0.628	S	S	*	*			trans	-59.6	118.7	176.3	171.6	0	0	0	0	110.5
87	G	57.7	Low	61.4	Low	65 Å²	65	101.6 Å²	101.6	67%	0.67	60%	0.603	S	S	*	*			trans	52.7	125.9	155.8	0	0	0	0	0	120.1	A85	A85-G87 PolarHBondContact O-N 3.09Å
88	P	45.9	Very low	61.7	Low	101 Å²	101	101.2 Å²	101.2	66%	0.656	60%	0.603	S	S	*	*				-136.7	160.7	118.6	38	-25.6	0	0	0	113.3	T92	P88-T92 HydrophobicContact CB-CG2 3.88Å; P88-T92 HydrophobicContact CG-CG2 3.87Å
89	G	57	Low	62.4	Low	51 Å²	51	108 Å²	108	53%	0.526	62%	0.624	S	S	.	*			trans	-63.2	166.4	-178.2	0	0	0	0	0	113.9	D91 T92	G89-D91 PolarHBondContact O-N 3.13Å; G89-D91 VanDerWaalsContact O-N 3.08Å; G89-T92 PolarHBondContact O-N 3.16Å
90	Q	55.5	Low	63.2	Low	173 Å²	173	107.8 Å²	107.8	81%	0.808	61%	0.61	S	S	*	*	H	α-helix	trans	-52.4	-32.9	179.5	-70.4	-171.1	-16.4	0	0	112.8	T92 S93 V94	Q90-T92 VanDerWaalsContact C-N 3.31Å; Q90-T92 PolarHBondContact O-N 3.39Å; Q90-S93 WeakPolarHBondContact O-CB 3.19Å; Q90-S93 PolarHBondContact O-N 2.95Å; Q90-S93 VanDerWaalsContact O-N 3.15Å; Q90-V94 WeakPolarHBondContact O-CG2 3.45Å; Q90-V94 PolarHBondContact O-N 3.17Å
91	D	57	Low	64.4	Low	126 Å²	126	98 Å²	98	67%	0.674	57%	0.574	S	S	*	*	H	α-helix	trans	-60.6	-35.5	177.3	-66	-26.3	0	0	0	113.6	G89 Q95	G89-D91 PolarHBondContact O-N 3.13Å; G89-D91 VanDerWaalsContact O-N 3.08Å; D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.38Å; D91-Q95 PolarHBondContact O-N 3.17Å
92	T	66.4	Low	65.8	Low	61 Å²	61	102.4 Å²	102.4	37%	0.374	57%	0.571	S	S	.	*	H	α-helix	trans	-73.1	-34.1	178	-47.7	0	0	0	0	111.1	P88 G89 Q90 V96	P88-T92 HydrophobicContact CB-CG2 3.88Å; P88-T92 HydrophobicContact CG-CG2 3.87Å; G89-T92 PolarHBondContact O-N 3.16Å; Q90-T92 VanDerWaalsContact C-N 3.31Å; Q90-T92 PolarHBondContact O-N 3.39Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.33Å; T92-V96 PolarHBondContact O-N 2.96Å; T92-V96 VanDerWaalsContact O-N 3.11Å
93	S	67.3	Low	67.6	Low	46 Å²	46	102.9 Å²	102.9	32%	0.322	57%	0.569	S	S	.	*	H	α-helix	trans	-67.1	-44.2	173.6	-170.7	0	0	0	0	111.5	Q90 Q95 V96 V97	Q90-S93 WeakPolarHBondContact O-CB 3.19Å; Q90-S93 PolarHBondContact O-N 2.95Å; Q90-S93 VanDerWaalsContact O-N 3.15Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.47Å; S93-V96 PolarHBondContact O-N 3.44Å; S93-V97 WeakPolarHBondContact O-CG2 3.43Å; S93-V97 PolarHBondContact O-N 2.81Å
94	V	76.5	Confident	69.9	Low	89 Å²	89	94.9 Å²	94.9	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.3	174.1	0	0	0	0	111	Q90 V96 T98	Q90-V94 WeakPolarHBondContact O-CG2 3.45Å; Q90-V94 PolarHBondContact O-N 3.17Å; V94-V96 PolarHBondContact O-N 2.95Å; V94-T98 VanDerWaalsContact O-CB 3.29Å; V94-T98 WeakPolarHBondContact O-CB 3.37Å; V94-T98 PolarHBondContact O-N 2.85Å; V94-T98 PolarHBondContact O-OG1 3.24Å
95	Q	78.4	Confident	72	Confident	138 Å²	138	89.2 Å²	89.2	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-39.1	176.3	-74.6	177	2.5	0	0	112.7	D91 S93 R99	D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.38Å; D91-Q95 PolarHBondContact O-N 3.17Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.47Å; Q95-R99 WeakPolarHBondContact O-CB 3.33Å; Q95-R99 PolarHBondContact O-N 3.34Å
96	V	81.2	Confident	74.4	Confident	54 Å²	54	88.9 Å²	88.9	33%	0.327	50%	0.5	S	S	.	.	H	α-helix	trans	-67.8	-48	177.8	171.4	0	0	0	0	111.2	L78 T92 S93 V94 T98 R99 R100	L78-V96 HydrophobicContact CD1-CG1 4.29Å; L78-V96 HydrophobicContact CD2-CG1 4.09Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.33Å; T92-V96 PolarHBondContact O-N 2.96Å; T92-V96 VanDerWaalsContact O-N 3.11Å; S93-V96 PolarHBondContact O-N 3.44Å; V94-V96 PolarHBondContact O-N 2.95Å; V96-T98 PolarHBondContact O-N 3.44Å; V96-R99 PolarHBondContact O-N 2.86Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 2.93Å
97	V	85	Confident	76.5	Confident	12 Å²	12	84.8 Å²	84.8	7%	0.073	47%	0.469	C	S	.	.	H	α-helix	trans	-57.3	-51.1	174.9	175.2	0	0	0	0	109.9	V71 E74 L75 L78 S93 R99 R100 T101	V71-V97 HydrophobicContact CG1-CG1 4.05Å; E74-V97 HydrophobicContact CB-CG1 4.22Å; L75-V97 HydrophobicContact CD1-CG2 4.41Å; L78-V97 HydrophobicContact CD1-CG2 3.3Å; S93-V97 WeakPolarHBondContact O-CG2 3.43Å; S93-V97 PolarHBondContact O-N 2.81Å; V97-R99 VanDerWaalsContact C-N 3.3Å; V97-R99 PolarHBondContact O-N 2.84Å; V97-R100 PolarHBondContact O-N 3.48Å; V97-R100 VanDerWaalsContact O-N 3.1Å; V97-T101 PolarHBondContact O-N 2.97Å; V97-T101 PolarHBondContact O-OG1 2.8Å
98	T	85.3	Confident	78	Confident	58 Å²	58	86.5 Å²	86.5	36%	0.356	46%	0.459	S	S	.	.	H	α-helix	trans	-55.8	-43.4	179.4	-57.1	0	0	0	0	112.3	V94 V96 R102	V94-T98 VanDerWaalsContact O-CB 3.29Å; V94-T98 WeakPolarHBondContact O-CB 3.37Å; V94-T98 PolarHBondContact O-N 2.85Å; V94-T98 PolarHBondContact O-OG1 3.24Å; V96-T98 PolarHBondContact O-N 3.44Å; T98-R102 WeakPolarHBondContact O-CB 3.35Å; T98-R102 WeakPolarHBondContact O-CG 3.24Å; T98-R102 PolarHBondContact O-N 2.87Å
99	R	85.9	Confident	80	Confident	203 Å²	203	86.8 Å²	86.8	77%	0.766	45%	0.452	S	S	*	.	H	α-helix	trans	-65.9	-40.8	179.2	-173.3	177.9	179.9	-176	0.1	111.8	Q95 V96 V97 A103	Q95-R99 WeakPolarHBondContact O-CB 3.33Å; Q95-R99 PolarHBondContact O-N 3.34Å; V96-R99 PolarHBondContact O-N 2.86Å; V97-R99 VanDerWaalsContact C-N 3.3Å; V97-R99 PolarHBondContact O-N 2.84Å; R99-A103 PolarHBondContact O-N 3.16Å
100	R	85.8	Confident	81.5	Confident	111 Å²	111	85.1 Å²	85.1	42%	0.419	43%	0.431	S	S	.	.	H	α-helix	trans	-72.3	-42.2	179	-70.5	-174	-178	-178.5	0.2	112.3	E74 V96 V97 R102 A103 S104	E74-R100 HydrophobicContact CG-CB 4.14Å; E74-R100 WeakPolarHBondContact OE2-CD 3.33Å; E74-R100 IonicContact OE2-CZ 2.67Å; E74-R100 IonicContact OE2-NE 4Å; E74-R100 IonicContact OE2-NH1 3.32Å; E74-R100 PolarHBondContact OE2-NH1 2.92Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 2.93Å; V97-R100 PolarHBondContact O-N 3.48Å; V97-R100 VanDerWaalsContact O-N 3.1Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 2.85Å; R100-A103 CarbonylContact O-C 3.48Å; R100-A103 WeakPolarHBondContact O-CA 3.47Å; R100-A103 PolarHBondContact O-N 3.26Å; R100-S104 PolarHBondContact O-N 3.08Å; R100-S104 VanDerWaalsContact O-N 3.1Å
101	T	87.9	Confident	83.1	Confident	10 Å²	10	80.8 Å²	80.8	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-58.6	-42.7	173.6	-53.6	0	0	0	0	111.2	L67 V70 V71 V97 A103 S104 Y107	L67-T101 HydrophobicContact CB-CG2 4.35Å; L67-T101 HydrophobicContact CD1-CG2 4.42Å; L67-T101 HydrophobicContact CD2-CG2 4.46Å; V70-T101 HydrophobicContact CG1-CG2 4.24Å; V71-T101 HydrophobicContact CG2-CG2 3.73Å; V97-T101 PolarHBondContact O-N 2.97Å; V97-T101 PolarHBondContact O-OG1 2.8Å; T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 3.13Å; T101-S104 VanDerWaalsContact O-CB 3.29Å; T101-S104 WeakPolarHBondContact O-CB 3.42Å; T101-S104 PolarHBondContact O-N 3.43Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 PolarHBondContact O-OG 2.62Å; T101-Y107 VanDerWaalsContact O-CB 3.28Å; T101-Y107 WeakPolarHBondContact O-CB 3.4Å
102	R	86.6	Confident	84.5	Confident	159 Å²	159	80.6 Å²	80.6	60%	0.6	41%	0.407	S	S	*	.	H	α-helix	trans	-64.1	-28.8	174.3	-79.8	-178.1	179	162	1	113.9	T98 R100 S104 Y107 H108	T98-R102 WeakPolarHBondContact O-CB 3.35Å; T98-R102 WeakPolarHBondContact O-CG 3.24Å; T98-R102 PolarHBondContact O-N 2.87Å; R100-R102 VanDerWaalsContact C-N 3.31Å; R100-R102 PolarHBondContact O-N 2.85Å; R102-S104 VanDerWaalsContact C-N 3.33Å; R102-Y107 HydrophobicContact CG-CE2 4.33Å; R102-Y107 VanDerWaalsContact O-CD1 3.25Å; R102-Y107 WeakPolarHBondContact O-CD1 3.44Å; R102-H108 PolarHBondContact O-CE1 3.44Å; R102-H108 VanDerWaalsContact O-CE1 3.24Å
103	A	87.9	Confident	85.4	Confident	75 Å²	75	79.6 Å²	79.6	62%	0.62	40%	0.401	S	S	*	.	H	α-helix	trans	-82.9	-9.6	176.7	0	0	0	0	0	113.3	R99 R100 T101	R99-A103 PolarHBondContact O-N 3.16Å; R100-A103 CarbonylContact O-C 3.48Å; R100-A103 WeakPolarHBondContact O-CA 3.47Å; R100-A103 PolarHBondContact O-N 3.26Å; T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 3.13Å
104	S	90.8	Very high	86.3	Confident	16 Å²	16	78.9 Å²	78.9	11%	0.112	39%	0.394	C	S	.	.	S	Bend	trans	-67.3	150.8	-176.8	73	0	0	0	0	112.8	R100 T101 R102 Q106 Y107 H108	R100-S104 PolarHBondContact O-N 3.08Å; R100-S104 VanDerWaalsContact O-N 3.1Å; T101-S104 VanDerWaalsContact O-CB 3.29Å; T101-S104 WeakPolarHBondContact O-CB 3.42Å; T101-S104 PolarHBondContact O-N 3.43Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 PolarHBondContact O-OG 2.62Å; R102-S104 VanDerWaalsContact C-N 3.33Å; S104-Q106 PolarHBondContact O-N 3.07Å; S104-Y107 PolarHBondContact O-N 2.82Å; S104-Y107 WeakPolarHBondContact OG-CB 3.26Å; S104-Y107 PolarHBondContact OG-N 3.21Å; S104-Y107 VanDerWaalsContact OG-N 3.12Å; S104-H108 PolarHBondContact O-N 3.15Å; S104-H108 PolarHBondContact O-ND1 2.65Å
105	A	89.2	Confident	86.8	Confident	72 Å²	72	80.8 Å²	80.8	60%	0.595	40%	0.395	S	S	*	.	H	α-helix	trans	-63.7	-33.4	174.5	0	0	0	0	0	111.5	H108 Q109	A105-H108 PolarHBondContact O-N 3.29Å; A105-Q109 VanDerWaalsContact O-CB 3.31Å; A105-Q109 WeakPolarHBondContact O-CB 3.15Å; A105-Q109 PolarHBondContact O-N 2.83Å
106	Q	88	Confident	87.2	Confident	95 Å²	95	76.8 Å²	76.8	44%	0.444	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-40	178.2	-66.5	83.3	-13.9	0	0	111.9	V70 S104 Q109 M110	V70-Q106 HydrophobicContact CG2-CB 3.81Å; V70-Q106 HydrophobicContact CG2-CG 3.78Å; S104-Q106 PolarHBondContact O-N 3.07Å; Q106-Q109 PolarHBondContact O-N 2.86Å; Q106-M110 VanDerWaalsContact O-CB 3.26Å; Q106-M110 WeakPolarHBondContact O-CB 3.44Å; Q106-M110 PolarHBondContact O-N 3.5Å
107	Y	90.3	Very high	87.3	Confident	65 Å²	65	74.8 Å²	74.8	26%	0.255	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-47.5	173.8	177.7	-93.5	0	0	0	112.3	L67 T101 R102 S104 Q109 M110 L111	L67-Y107 HydrophobicContact CD1-CD2 3.77Å; L67-Y107 HydrophobicContact CD1-CE2 4.4Å; L67-Y107 HydrophobicContact CD2-CD2 4.3Å; T101-Y107 VanDerWaalsContact O-CB 3.28Å; T101-Y107 WeakPolarHBondContact O-CB 3.4Å; R102-Y107 HydrophobicContact CG-CE2 4.33Å; R102-Y107 VanDerWaalsContact O-CD1 3.25Å; R102-Y107 WeakPolarHBondContact O-CD1 3.44Å; S104-Y107 PolarHBondContact O-N 2.82Å; S104-Y107 WeakPolarHBondContact OG-CB 3.26Å; S104-Y107 PolarHBondContact OG-N 3.21Å; S104-Y107 VanDerWaalsContact OG-N 3.12Å; Y107-Q109 VanDerWaalsContact C-N 3.35Å; Y107-Q109 PolarHBondContact O-N 3.47Å; Y107-M110 HydrophobicContact CD2-CE 4.27Å; Y107-M110 HydrophobicContact CE2-CE 4.44Å; Y107-M110 PolarHBondContact O-N 3.48Å; Y107-L111 HydrophobicContact CE1-CD2 4.43Å; Y107-L111 WeakPolarHBondContact O-CB 3.46Å; Y107-L111 PolarHBondContact O-N 3.38Å
108	H	89.6	Confident	87.3	Confident	102 Å²	102	76.2 Å²	76.2	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-40.6	178.5	-67.8	84.7	0	0	0	111.5	R102 S104 A105 L111 Q112	R102-H108 PolarHBondContact O-CE1 3.44Å; R102-H108 VanDerWaalsContact O-CE1 3.24Å; S104-H108 PolarHBondContact O-N 3.15Å; S104-H108 PolarHBondContact O-ND1 2.65Å; A105-H108 PolarHBondContact O-N 3.29Å; H108-L111 PolarHBondContact O-N 3.26Å; H108-Q112 WeakPolarHBondContact O-CB 3.21Å; H108-Q112 VanDerWaalsContact O-CG 3.24Å; H108-Q112 WeakPolarHBondContact O-CG 3.31Å; H108-Q112 PolarHBondContact O-N 3.1Å
109	Q	87.7	Confident	87.4	Confident	107 Å²	107	78.1 Å²	78.1	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-49.7	177.1	-176.5	174.6	8.8	0	0	111.8	A105 Q106 Y107 L111 Q112 T113	A105-Q109 VanDerWaalsContact O-CB 3.31Å; A105-Q109 WeakPolarHBondContact O-CB 3.15Å; A105-Q109 PolarHBondContact O-N 2.83Å; Q106-Q109 PolarHBondContact O-N 2.86Å; Y107-Q109 VanDerWaalsContact C-N 3.35Å; Y107-Q109 PolarHBondContact O-N 3.47Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 2.84Å; Q109-Q112 PolarHBondContact O-N 2.73Å; Q109-T113 WeakPolarHBondContact O-CB 3.39Å; Q109-T113 PolarHBondContact O-N 3.24Å; Q109-T113 PolarHBondContact O-OG1 3.47Å; Q109-T113 VanDerWaalsContact O-OG1 3.1Å
110	M	90.3	Very high	87.5	Confident	16 Å²	16	71.7 Å²	71.7	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-56.3	-46.8	176.8	178.8	-156.6	70.8	0	0	111	V63 L67 Q106 Y107 Q112 T113 L114	V63-M110 HydrophobicContact CB-SD 4.34Å; V63-M110 HydrophobicContact CG2-CE 4.22Å; V63-M110 HydrophobicContact CG2-SD 4.06Å; L67-M110 HydrophobicContact CD1-CE 3.98Å; L67-M110 HydrophobicContact CD1-SD 4.09Å; L67-M110 HydrophobicContact CD2-SD 4.18Å; L67-M110 HydrophobicContact CG-CE 4.31Å; L67-M110 HydrophobicContact CG-SD 3.82Å; Q106-M110 VanDerWaalsContact O-CB 3.26Å; Q106-M110 WeakPolarHBondContact O-CB 3.44Å; Q106-M110 PolarHBondContact O-N 3.5Å; Y107-M110 HydrophobicContact CD2-CE 4.27Å; Y107-M110 HydrophobicContact CE2-CE 4.44Å; Y107-M110 PolarHBondContact O-N 3.48Å; M110-Q112 PolarHBondContact O-N 2.73Å; M110-T113 PolarHBondContact O-N 3.03Å; M110-L114 VanDerWaalsContact O-CB 3.27Å; M110-L114 WeakPolarHBondContact O-CB 3.46Å; M110-L114 PolarHBondContact O-N 2.91Å
111	L	87.9	Confident	87.5	Confident	81 Å²	81	66.5 Å²	66.5	42%	0.424	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-43.3	179.7	-175.4	65	0	0	0	112.1	Y107 H108 Q109 K115	Y107-L111 HydrophobicContact CE1-CD2 4.43Å; Y107-L111 WeakPolarHBondContact O-CB 3.46Å; Y107-L111 PolarHBondContact O-N 3.38Å; H108-L111 PolarHBondContact O-N 3.26Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 2.84Å; L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.24Å
112	Q	87.3	Confident	87.5	Confident	122 Å²	122	68.9 Å²	68.9	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-44.2	178	-70.5	-63	-22.6	0	0	112	H108 Q109 M110 K115 A116	H108-Q112 WeakPolarHBondContact O-CB 3.21Å; H108-Q112 VanDerWaalsContact O-CG 3.24Å; H108-Q112 WeakPolarHBondContact O-CG 3.31Å; H108-Q112 PolarHBondContact O-N 3.1Å; Q109-Q112 PolarHBondContact O-N 2.73Å; M110-Q112 PolarHBondContact O-N 2.73Å; Q112-K115 PolarHBondContact O-N 3.14Å; Q112-A116 WeakPolarHBondContact O-CB 3.45Å; Q112-A116 PolarHBondContact O-N 3.41Å
113	T	85	Confident	87.6	Confident	41 Å²	41	66.4 Å²	66.4	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-49.2	177.2	-62.4	0	0	0	0	110.9	L4 Q109 M110 K115 A116 T117	L4-T113 HydrophobicContact CD1-CG2 3.82Å; L4-T113 HydrophobicContact CG-CG2 4.32Å; Q109-T113 WeakPolarHBondContact O-CB 3.39Å; Q109-T113 PolarHBondContact O-N 3.24Å; Q109-T113 PolarHBondContact O-OG1 3.47Å; Q109-T113 VanDerWaalsContact O-OG1 3.1Å; M110-T113 PolarHBondContact O-N 3.03Å; T113-K115 VanDerWaalsContact C-N 3.32Å; T113-K115 PolarHBondContact O-N 3.33Å; T113-A116 PolarHBondContact O-N 3.43Å; T113-T117 PolarHBondContact O-N 3.39Å; T113-T117 PolarHBondContact O-OG1 2.94Å
114	L	85.8	Confident	87.5	Confident	30 Å²	30	64.8 Å²	64.8	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-41.7	178.7	-177.5	63.3	0	0	0	111.9	L59 M110 M118	L59-L114 HydrophobicContact CD2-CD1 3.69Å; L59-L114 HydrophobicContact CD2-CD2 3.96Å; L59-L114 HydrophobicContact CD2-CG 4.38Å; M110-L114 VanDerWaalsContact O-CB 3.27Å; M110-L114 WeakPolarHBondContact O-CB 3.46Å; M110-L114 PolarHBondContact O-N 2.91Å; L114-M118 VanDerWaalsContact O-CB 3.27Å; L114-M118 WeakPolarHBondContact O-CB 3.29Å; L114-M118 PolarHBondContact O-N 3.49Å
115	K	86.8	Confident	87.3	Confident	129 Å²	129	65.5 Å²	65.5	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-62.7	-45	176.9	-175.4	179.5	179.1	-178.4	0	111.9	L111 Q112 T113 M119	L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.24Å; Q112-K115 PolarHBondContact O-N 3.14Å; T113-K115 VanDerWaalsContact C-N 3.32Å; T113-K115 PolarHBondContact O-N 3.33Å; K115-M119 WeakPolarHBondContact O-CB 3.29Å; K115-M119 PolarHBondContact O-N 2.97Å; K115-M119 VanDerWaalsContact O-N 3.07Å
116	A	86.4	Confident	87.2	Confident	55 Å²	55	66.5 Å²	66.5	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-47.3	179.2	0	0	0	0	0	111.5	Q112 T113 M118 M119 V120	Q112-A116 WeakPolarHBondContact O-CB 3.45Å; Q112-A116 PolarHBondContact O-N 3.41Å; T113-A116 PolarHBondContact O-N 3.43Å; A116-M118 PolarHBondContact O-N 3.12Å; A116-M119 PolarHBondContact O-N 3.29Å; A116-V120 WeakPolarHBondContact O-CG2 3.15Å; A116-V120 PolarHBondContact O-N 2.96Å
117	T	83.7	Confident	87.2	Confident	12 Å²	12	65.7 Å²	65.7	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-40.4	178.8	-53.6	0	0	0	0	111.9	L4 E9 L12 T113 M119 V120 A121	L4-T117 HydrophobicContact CD1-CG2 4.45Å; E9-T117 HydrophobicContact CG-CG2 3.9Å; L12-T117 HydrophobicContact CD2-CG2 3.79Å; T113-T117 PolarHBondContact O-N 3.39Å; T113-T117 PolarHBondContact O-OG1 2.94Å; T117-M119 VanDerWaalsContact C-N 3.35Å; T117-M119 PolarHBondContact O-N 3.32Å; T117-V120 PolarHBondContact O-N 3.41Å; T117-A121 WeakPolarHBondContact O-CB 3.31Å; T117-A121 PolarHBondContact O-N 3.48Å
118	M	86.1	Confident	86.9	Confident	41 Å²	41	67 Å²	67	20%	0.202	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-42.1	176.4	-167.8	65.7	67.8	0	0	112	L12 L16 F55 L59 L114 A116 A121 V122	L12-M118 HydrophobicContact CD1-CE 4.14Å; L12-M118 HydrophobicContact CD2-CE 4.08Å; L12-M118 HydrophobicContact CD2-SD 4.2Å; L12-M118 HydrophobicContact CG-CE 4.43Å; L12-M118 HydrophobicContact CG-SD 4.49Å; L16-M118 HydrophobicContact CD2-SD 4.12Å; F55-M118 HydrophobicContact CE2-CE 3.62Å; F55-M118 HydrophobicContact CE2-SD 4.08Å; F55-M118 HydrophobicContact CZ-CE 3.35Å; F55-M118 HydrophobicContact CZ-SD 3.97Å; L59-M118 HydrophobicContact CD2-CE 4.42Å; L114-M118 VanDerWaalsContact O-CB 3.27Å; L114-M118 WeakPolarHBondContact O-CB 3.29Å; L114-M118 PolarHBondContact O-N 3.49Å; A116-M118 PolarHBondContact O-N 3.12Å; M118-A121 PolarHBondContact O-N 3.43Å; M118-V122 HydrophobicContact CG-CG2 4.44Å; M118-V122 VanDerWaalsContact O-CG2 3.28Å; M118-V122 WeakPolarHBondContact O-CG2 3.21Å; M118-V122 PolarHBondContact O-N 3.46Å
119	M	87.4	Confident	86.6	Confident	99 Å²	99	67.9 Å²	67.9	49%	0.488	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-48.1	179.1	-171	179.8	-68.1	0	0	111	K115 A116 T117 A121 V122 E123	K115-M119 WeakPolarHBondContact O-CB 3.29Å; K115-M119 PolarHBondContact O-N 2.97Å; K115-M119 VanDerWaalsContact O-N 3.07Å; A116-M119 PolarHBondContact O-N 3.29Å; T117-M119 VanDerWaalsContact C-N 3.35Å; T117-M119 PolarHBondContact O-N 3.32Å; M119-A121 PolarHBondContact O-N 2.93Å; M119-V122 PolarHBondContact O-N 2.99Å; M119-E123 WeakPolarHBondContact O-CB 3.31Å; M119-E123 WeakPolarHBondContact O-CG 3.45Å; M119-E123 PolarHBondContact O-N 3.25Å
120	V	86.4	Confident	86.3	Confident	67 Å²	67	66.8 Å²	66.8	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-42.6	176.8	174.9	0	0	0	0	111.7	A116 T117 S124	A116-V120 WeakPolarHBondContact O-CG2 3.15Å; A116-V120 PolarHBondContact O-N 2.96Å; T117-V120 PolarHBondContact O-N 3.41Å; V120-S124 WeakPolarHBondContact O-CB 3.45Å; V120-S124 PolarHBondContact O-N 3.22Å
121	A	86.7	Confident	85.9	Confident	3 Å²	3	71.3 Å²	71.3	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-64.7	-39.9	178.7	0	0	0	0	0	112.6	L12 Q13 T117 M118 M119 L125	L12-A121 HydrophobicContact CD2-CB 4.43Å; Q13-A121 HydrophobicContact CB-CB 4.39Å; T117-A121 WeakPolarHBondContact O-CB 3.31Å; T117-A121 PolarHBondContact O-N 3.48Å; M118-A121 PolarHBondContact O-N 3.43Å; M119-A121 PolarHBondContact O-N 2.93Å; A121-L125 WeakPolarHBondContact O-CG 3.29Å; A121-L125 PolarHBondContact O-N 2.62Å; A121-L125 VanDerWaalsContact O-N 3.14Å
122	V	88.3	Confident	85.4	Confident	60 Å²	60	71.3 Å²	71.3	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-48.7	176.3	170.4	0	0	0	0	110.9	L16 M118 M119 S124 L125 I126	L16-V122 HydrophobicContact CD2-CG2 3.65Å; M118-V122 HydrophobicContact CG-CG2 4.44Å; M118-V122 VanDerWaalsContact O-CG2 3.28Å; M118-V122 WeakPolarHBondContact O-CG2 3.21Å; M118-V122 PolarHBondContact O-N 3.46Å; M119-V122 PolarHBondContact O-N 2.99Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 3.28Å; V122-L125 WeakPolarHBondContact O-CB 3.21Å; V122-L125 PolarHBondContact O-N 2.96Å; V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 HydrophobicContact CG1-CG1 4.45Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 2.89Å
123	E	88.3	Confident	84.9	Confident	107 Å²	107	69.1 Å²	69.1	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-44.6	177	-74.3	173.7	-178.2	0	0	111.1	M119 L125 I126 T127	M119-E123 WeakPolarHBondContact O-CB 3.31Å; M119-E123 WeakPolarHBondContact O-CG 3.45Å; M119-E123 PolarHBondContact O-N 3.25Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.07Å; E123-I126 PolarHBondContact O-N 3.28Å; E123-T127 PolarHBondContact O-N 3.44Å; E123-T127 PolarHBondContact O-OG1 2.88Å; E123-T127 VanDerWaalsContact O-OG1 3.06Å
124	S	85.9	Confident	84.5	Confident	41 Å²	41	72.5 Å²	72.5	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-35.1	175.4	-176.3	0	0	0	0	113.4	Q13 V120 V122 K128	Q13-S124 PolarHBondContact NE2-OG 2.97Å; V120-S124 WeakPolarHBondContact O-CB 3.45Å; V120-S124 PolarHBondContact O-N 3.22Å; V122-S124 VanDerWaalsContact C-N 3.29Å; V122-S124 PolarHBondContact O-N 3.28Å; S124-K128 WeakPolarHBondContact O-CB 3.45Å; S124-K128 VanDerWaalsContact O-CG 3.32Å; S124-K128 WeakPolarHBondContact O-CG 3.27Å; S124-K128 PolarHBondContact O-N 2.88Å
125	L	86.1	Confident	84.1	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-70.5	-38.4	175.6	-75.7	170.2	0	0	0	112.2	Q13 L16 K17 A121 V122 E123 F129	Q13-L125 HydrophobicContact CG-CD1 4.2Å; Q13-L125 HydrophobicContact CG-CD2 3.69Å; Q13-L125 HydrophobicContact CG-CG 3.72Å; L16-L125 HydrophobicContact CB-CD1 4.35Å; L16-L125 HydrophobicContact CD2-CD1 3.8Å; L16-L125 HydrophobicContact CG-CD1 4.09Å; K17-L125 HydrophobicContact CB-CD2 4.26Å; K17-L125 HydrophobicContact CD-CD2 4.16Å; K17-L125 HydrophobicContact CG-CD2 4.48Å; A121-L125 WeakPolarHBondContact O-CG 3.29Å; A121-L125 PolarHBondContact O-N 2.62Å; A121-L125 VanDerWaalsContact O-N 3.14Å; V122-L125 WeakPolarHBondContact O-CB 3.21Å; V122-L125 PolarHBondContact O-N 2.96Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.07Å; L125-F129 WeakPolarHBondContact O-CB 3.4Å; L125-F129 PolarHBondContact O-N 3.15Å
126	I	87.6	Confident	83.5	Confident	94 Å²	94	78.9 Å²	78.9	48%	0.482	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-51.2	176.4	-66.4	167.7	0	0	0	109.5	V122 E123 K128 F129 D130	V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 HydrophobicContact CG1-CG1 4.45Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 2.89Å; E123-I126 PolarHBondContact O-N 3.28Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.46Å; I126-F129 WeakPolarHBondContact O-CB 3.44Å; I126-F129 PolarHBondContact O-N 3.47Å; I126-D130 PolarHBondContact O-N 2.9Å
127	T	86.9	Confident	83	Confident	77 Å²	77	80.8 Å²	80.8	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-58.4	-43.8	179.4	-50.5	0	0	0	0	112.2	E123 F129 D130 E131	E123-T127 PolarHBondContact O-N 3.44Å; E123-T127 PolarHBondContact O-OG1 2.88Å; E123-T127 VanDerWaalsContact O-OG1 3.06Å; T127-F129 VanDerWaalsContact C-N 3.31Å; T127-F129 PolarHBondContact O-N 3.38Å; T127-D130 PolarHBondContact O-N 3.49Å; T127-E131 WeakPolarHBondContact O-CG 3.48Å; T127-E131 PolarHBondContact O-N 3.16Å
128	K	84.6	Confident	82.4	Confident	94 Å²	94	86.6 Å²	86.6	41%	0.409	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-34.8	176.2	-75.2	176	-175.5	171	0	112.6	S124 I126 D132	S124-K128 WeakPolarHBondContact O-CB 3.45Å; S124-K128 VanDerWaalsContact O-CG 3.32Å; S124-K128 WeakPolarHBondContact O-CG 3.27Å; S124-K128 PolarHBondContact O-N 2.88Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.46Å; K128-D132 WeakPolarHBondContact O-CB 3.45Å; K128-D132 PolarHBondContact O-N 2.91Å
129	F	82.6	Confident	81.7	Confident	119 Å²	119	89.6 Å²	89.6	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-68.4	-42.7	177.3	-179.2	-95.6	0	0	0	111.6	L125 I126 T127 D132 Q133	L125-F129 WeakPolarHBondContact O-CB 3.4Å; L125-F129 PolarHBondContact O-N 3.15Å; I126-F129 WeakPolarHBondContact O-CB 3.44Å; I126-F129 PolarHBondContact O-N 3.47Å; T127-F129 VanDerWaalsContact C-N 3.31Å; T127-F129 PolarHBondContact O-N 3.38Å; F129-D132 PolarHBondContact O-N 3.24Å; F129-Q133 HydrophobicContact CD1-CG 4.21Å; F129-Q133 HydrophobicContact CE1-CG 3.85Å; F129-Q133 HydrophobicContact CZ-CG 4.09Å; F129-Q133 VanDerWaalsContact CZ-NE2 3.33Å; F129-Q133 WeakPolarHBondContact O-CG 3.48Å; F129-Q133 PolarHBondContact O-N 3.09Å
130	D	81.8	Confident	80.5	Confident	84 Å²	84	90.1 Å²	90.1	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-64.6	-41.6	177.2	-66.6	-21.6	0	0	0	111.4	I126 T127 D132 Q133 L134	I126-D130 PolarHBondContact O-N 2.9Å; T127-D130 PolarHBondContact O-N 3.49Å; D130-D132 PolarHBondContact O-N 2.68Å; D130-Q133 PolarHBondContact O-N 3.38Å; D130-L134 WeakPolarHBondContact O-CG 3.16Å; D130-L134 PolarHBondContact O-N 2.92Å
131	E	81.8	Confident	79.7	Confident	111 Å²	111	95.2 Å²	95.2	52%	0.519	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-41.1	173.3	-73.7	-179.4	179.9	0	0	112.7	T127 R135	T127-E131 WeakPolarHBondContact O-CG 3.48Å; T127-E131 PolarHBondContact O-N 3.16Å; E131-R135 PolarHBondContact O-N 3.07Å; E131-R135 VanDerWaalsContact O-N 3.15Å
132	D	78.2	Confident	78.4	Confident	82 Å²	82	101.4 Å²	101.4	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-68.8	-33.4	177.7	-81.1	-17.2	0	0	0	112.5	K128 F129 D130 K136	K128-D132 WeakPolarHBondContact O-CB 3.45Å; K128-D132 PolarHBondContact O-N 2.91Å; F129-D132 PolarHBondContact O-N 3.24Å; D130-D132 PolarHBondContact O-N 2.68Å; D132-K136 WeakPolarHBondContact O-CG 3.48Å; D132-K136 PolarHBondContact O-N 3.5Å
133	Q	75.7	Confident	77.1	Confident	75 Å²	75	102.3 Å²	102.3	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-46.4	174.9	-73.3	-68.6	-6.2	0	0	111.5	F129 D130 R135 K136 E137	F129-Q133 HydrophobicContact CD1-CG 4.21Å; F129-Q133 HydrophobicContact CE1-CG 3.85Å; F129-Q133 HydrophobicContact CZ-CG 4.09Å; F129-Q133 VanDerWaalsContact CZ-NE2 3.33Å; F129-Q133 WeakPolarHBondContact O-CG 3.48Å; F129-Q133 PolarHBondContact O-N 3.09Å; D130-Q133 PolarHBondContact O-N 3.38Å; Q133-R135 VanDerWaalsContact C-N 3.31Å; Q133-R135 PolarHBondContact O-N 3.1Å; Q133-K136 PolarHBondContact O-N 3.23Å; Q133-K136 VanDerWaalsContact O-N 3.08Å; Q133-E137 PolarHBondContact O-N 3.5Å
134	L	77.8	Confident	75.4	Confident	113 Å²	113	103.6 Å²	103.6	59%	0.592	49%	0.488	S	S	*	.	H	α-helix	trans	-58.8	-42.4	177.6	-73.6	168.5	0	0	0	111.8	D130 K136 E137 E138	D130-L134 WeakPolarHBondContact O-CG 3.16Å; D130-L134 PolarHBondContact O-N 2.92Å; L134-K136 PolarHBondContact O-N 3.35Å; L134-E137 PolarHBondContact O-N 3.18Å; L134-E138 WeakPolarHBondContact O-CB 3.14Å; L134-E138 PolarHBondContact O-N 3.14Å
135	R	76.6	Confident	73.8	Confident	175 Å²	175	110.8 Å²	110.8	66%	0.66	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-36.8	174.6	-77.9	-177.1	175.1	176.5	1.7	113.4	E131 Q133 M139	E131-R135 PolarHBondContact O-N 3.07Å; E131-R135 VanDerWaalsContact O-N 3.15Å; Q133-R135 VanDerWaalsContact C-N 3.31Å; Q133-R135 PolarHBondContact O-N 3.1Å; R135-M139 WeakPolarHBondContact O-CB 3.4Å; R135-M139 PolarHBondContact O-N 3.48Å
136	K	74.6	Confident	71.9	Confident	117 Å²	117	113.9 Å²	113.9	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-39.8	177	-78.5	177.8	-176.6	176.9	0	112.1	D132 Q133 L134 H140	D132-K136 WeakPolarHBondContact O-CG 3.48Å; D132-K136 PolarHBondContact O-N 3.5Å; Q133-K136 PolarHBondContact O-N 3.23Å; Q133-K136 VanDerWaalsContact O-N 3.08Å; L134-K136 PolarHBondContact O-N 3.35Å; K136-H140 PolarHBondContact O-N 2.91Å; K136-H140 PolarHBondContact O-ND1 2.73Å
137	E	75.2	Confident	70	Confident	96 Å²	96	116.3 Å²	116.3	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-40.1	174.9	-71.4	-176.9	-179.2	0	0	111.7	Q133 L134 H140 R141	Q133-E137 PolarHBondContact O-N 3.5Å; L134-E137 PolarHBondContact O-N 3.18Å; E137-H140 PolarHBondContact O-N 2.81Å; E137-R141 WeakPolarHBondContact O-CG 3.18Å; E137-R141 PolarHBondContact O-N 3.42Å
138	E	72.9	Confident	67.8	Low	134 Å²	134	116.7 Å²	116.7	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-42.6	176.4	-163.1	165.4	-149.2	0	0	111.5	L134 H140 R141 E142	L134-E138 WeakPolarHBondContact O-CB 3.14Å; L134-E138 PolarHBondContact O-N 3.14Å; E138-H140 PolarHBondContact O-N 2.97Å; E138-R141 PolarHBondContact O-N 3.46Å; E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 PolarHBondContact O-N 3.21Å
139	M	69.4	Low	65.5	Low	103 Å²	103	119 Å²	119	51%	0.507	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-36.9	174.3	-165.5	-178.5	73.9	0	0	112.6	R135 E142 I143	R135-M139 WeakPolarHBondContact O-CB 3.4Å; R135-M139 PolarHBondContact O-N 3.48Å; M139-E142 PolarHBondContact O-N 3.25Å; M139-I143 HydrophobicContact CG-CD1 4.21Å; M139-I143 WeakPolarHBondContact O-CD1 3.42Å; M139-I143 WeakPolarHBondContact O-CG1 3.28Å; M139-I143 PolarHBondContact O-N 2.85Å
140	H	63.4	Low	63.3	Low	111 Å²	111	117.9 Å²	117.9	51%	0.514	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-42.1	174.5	-83.3	73	0	0	0	112	K136 E137 E138 E142 I143 E144	K136-H140 PolarHBondContact O-N 2.91Å; K136-H140 PolarHBondContact O-ND1 2.73Å; E137-H140 PolarHBondContact O-N 2.81Å; E138-H140 PolarHBondContact O-N 2.97Å; H140-E142 VanDerWaalsContact C-N 3.27Å; H140-E142 PolarHBondContact O-N 2.97Å; H140-I143 PolarHBondContact O-N 3.47Å; H140-E144 WeakPolarHBondContact O-CG 3.4Å; H140-E144 PolarHBondContact O-N 3.43Å
141	R	68.4	Low	61.3	Low	173 Å²	173	123 Å²	123	65%	0.653	59%	0.592	S	S	*	*	H	α-helix	trans	-63.4	-34	174.8	-72.3	-176.8	-163.5	168.5	9.7	112.2	E137 E138 R145	E137-R141 WeakPolarHBondContact O-CG 3.18Å; E137-R141 PolarHBondContact O-N 3.42Å; E138-R141 PolarHBondContact O-N 3.46Å; R141-R145 WeakPolarHBondContact O-CB 3.43Å; R141-R145 PolarHBondContact O-N 3.33Å
142	E	59.7	Low	59.1	Low	133 Å²	133	126.7 Å²	126.7	62%	0.621	61%	0.607	S	S	*	*	H	α-helix	trans	-72.8	-37.8	177.4	-156.6	160.3	-153.3	0	0	111.8	E138 M139 H140 R145 C146	E138-E142 WeakPolarHBondContact O-CB 3.48Å; E138-E142 PolarHBondContact O-N 3.21Å; M139-E142 PolarHBondContact O-N 3.25Å; H140-E142 VanDerWaalsContact C-N 3.27Å; H140-E142 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 3.43Å; E142-C146 WeakPolarHBondContact O-CB 3.47Å; E142-C146 PolarHBondContact O-N 3.28Å; E142-C146 PolarHBondContact O-SG 3.27Å; E142-C146 VanDerWaalsContact O-SG 3.34Å
143	I	61.2	Low	56.9	Low	79 Å²	79	128.5 Å²	128.5	41%	0.405	62%	0.621	S	S	.	*	H	α-helix	trans	-65.8	-44.4	173.4	-68.7	164.2	0	0	0	111.7	M139 H140 R145 C146 Q147	M139-I143 HydrophobicContact CG-CD1 4.21Å; M139-I143 WeakPolarHBondContact O-CD1 3.42Å; M139-I143 WeakPolarHBondContact O-CG1 3.28Å; M139-I143 PolarHBondContact O-N 2.85Å; H140-I143 PolarHBondContact O-N 3.47Å; I143-R145 VanDerWaalsContact C-N 3.33Å; I143-R145 PolarHBondContact O-N 3Å; I143-C146 PolarHBondContact O-N 3.5Å; I143-Q147 WeakPolarHBondContact O-CG 3.34Å; I143-Q147 PolarHBondContact O-N 3.34Å
144	E	54.1	Low	54.8	Low	134 Å²	134	131.3 Å²	131.3	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-63.4	-38.6	176	-75.3	-178.9	166.7	0	0	111.8	H140 Q147 S148	H140-E144 WeakPolarHBondContact O-CG 3.4Å; H140-E144 PolarHBondContact O-N 3.43Å; E144-Q147 PolarHBondContact O-N 3.21Å; E144-S148 PolarHBondContact O-N 2.87Å
145	R	50.3	Low	52.9	Low	193 Å²	193	132 Å²	132	73%	0.728	64%	0.643	S	S	*	*	H	α-helix	trans	-72	-28.1	177.4	-170.8	177.2	167.8	-177.5	-4.6	113.2	R141 E142 I143 S148	R141-R145 WeakPolarHBondContact O-CB 3.43Å; R141-R145 PolarHBondContact O-N 3.33Å; E142-R145 PolarHBondContact O-N 3.43Å; I143-R145 VanDerWaalsContact C-N 3.33Å; I143-R145 PolarHBondContact O-N 3Å; R145-S148 PolarHBondContact O-OG 3.49Å
146	C	48.1	Very low	51	Low	94 Å²	94	129.4 Å²	129.4	64%	0.635	65%	0.65	S	S	*	*	H	α-helix	trans	-75.8	-30	171.8	-75.8	0	0	0	0	112.7	E142 I143	E142-C146 WeakPolarHBondContact O-CB 3.47Å; E142-C146 PolarHBondContact O-N 3.28Å; E142-C146 PolarHBondContact O-SG 3.27Å; E142-C146 VanDerWaalsContact O-SG 3.34Å; I143-C146 PolarHBondContact O-N 3.5Å
147	Q	47.1	Very low	49	Very low	145 Å²	145	129.5 Å²	129.5	68%	0.678	67%	0.665	S	S	*	*	H	α-helix	trans	-78.4	-25.8	177.8	-72.6	178.8	9.4	0	0	113.4	I143 E144	I143-Q147 WeakPolarHBondContact O-CG 3.34Å; I143-Q147 PolarHBondContact O-N 3.34Å; E144-Q147 PolarHBondContact O-N 3.21Å
148	S	40.2	Very low	47.9	Very low	86 Å²	86	132 Å²	132	60%	0.601	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-9.8	179.5	65.7	0	0	0	0	115	E144 R145	E144-S148 PolarHBondContact O-N 2.87Å; R145-S148 PolarHBondContact O-OG 3.49Å
149	N	36.6	Very low	46.2	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	8.9	-170.7	-102.8	12.3	0	0	0	115.3
150	S	36.6	Very low	45.2	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	71%	0.711	S	S	*	*			trans	-117.3	28.3	-175.6	63.3	0	0	0	0	115.4
151	Q	38.8	Very low	43.8	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	72%	0.722	S	S	*	*			trans	-113.5	85.2	168.2	-83.3	175.3	-3.4	0	0	111.4
152	F	36	Very low	42.6	Very low	190 Å²	190	132 Å²	132	83%	0.833	73%	0.732	S	S	*	*			trans	-135.7	129.5	153.4	-136.1	-96.9	0	0	0	109.4
153	T	31.6	Very low	41.2	Very low	119 Å²	119	134.9 Å²	134.9	73%	0.73	74%	0.743	S	S	*	*			trans	70	107	161.3	47	0	0	0	0	121.2
154	D	32.8	Very low	39.9	Very low	135 Å²	135	138.3 Å²	138.3	72%	0.722	76%	0.762	S	S	*	*				104.1	119	114.3	-143.3	31.6	0	0	0	120.5
155	N	37.6	Very low	39.2	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	78%	0.776	S	S	*	*			trans	51.1	128.8	146.7	-78.4	-29	0	0	0	124.4
156	C	35.8	Very low	38.5	Very low	119 Å²	119	136.6 Å²	136.6	80%	0.804	77%	0.773	S	S	*	*			trans	66.5	115.8	144.9	-59	0	0	0	0	119.6
157	S	33.6	Very low	38.2	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	78%	0.78	S	S	*	*				167.6	135.8	117.3	-173.5	0	0	0	0	111.3
158	D	51.6	Low	38.4	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	77%	0.774	S	S	*	*			trans	-49.6	138.7	168.3	-71.1	-42.5	0	0	0	112.6
159	S	37.3	Very low	39.2	Very low	116 Å²	116	141 Å²	141	81%	0.811	78%	0.776	S	S	*	*			trans	175	139.2	130.5	-77.3	0	0	0	0	111.6
160	D	49.5	Very low	40.7	Very low	174 Å²	174	135.6 Å²	135.6	93%	0.93	75%	0.748	S	S	*	*			trans	-40.1	127.1	177	-70.8	-50.9	0	0	0	114.7
161	S	34	Very low	42.3	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	75%	0.745	S	S	*	*			trans	-134.1	114.3	158.7	51.7	0	0	0	0	111.9	F163	S161-F163 VanDerWaalsContact C-N 3.26Å; S161-F163 PolarHBondContact O-N 3.47Å
162	S	42.5	Very low	43.8	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	72%	0.722	S	S	*	*			trans	-66.7	66.4	176.6	161	0	0	0	0	112.2
163	F	29.8	Very low	45.7	Very low	193 Å²	193	131.7 Å²	131.7	85%	0.846	71%	0.714	S	S	*	*			trans	-144.8	37.6	174.9	-136.2	-93.2	0	0	0	114.5	S161	S161-F163 VanDerWaalsContact C-N 3.26Å; S161-F163 PolarHBondContact O-N 3.47Å
164	N	33.6	Very low	47.8	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	70%	0.697	S	S	*	*			trans	-111.5	78.5	165.1	-81.7	-27.4	0	0	0	109.8	S166	N164-S166 PolarHBondContact O-N 3.26Å
165	Q	39.4	Very low	50	Low	197 Å²	197	123.4 Å²	123.4	92%	0.921	66%	0.663	S	S	*	*			trans	-82.4	77.7	144.9	-83.9	-175.4	2.2	0	0	106.6	Y167	Q165-Y167 PolarHBondContact O-N 3.09Å
166	S	36.3	Very low	52.1	Low	93 Å²	93	121.7 Å²	121.7	65%	0.65	65%	0.651	S	S	*	*			trans	-54.8	124.1	164	30.9	0	0	0	0	108	N164 A168	N164-S166 PolarHBondContact O-N 3.26Å; S166-A168 PolarHBondContact O-N 3.35Å
167	Y	40.9	Very low	54.5	Low	200 Å²	200	119.3 Å²	119.3	78%	0.784	63%	0.632	S	S	*	*			trans	-59.6	91.4	163.4	-86.5	-95.1	0	0	0	107.3	Q165 F169	Q165-Y167 PolarHBondContact O-N 3.09Å; Y167-F169 WeakPolarHBondContact O-CD2 3.47Å; Y167-F169 PolarHBondContact O-N 3.47Å
168	A	51.8	Low	57	Low	67 Å²	67	114.4 Å²	114.4	55%	0.554	60%	0.597	S	S	*	*			trans	-77.1	90.9	177	0	0	0	0	0	108	S166 I170 P202	S166-A168 PolarHBondContact O-N 3.35Å; A168-I170 PolarHBondContact O-N 3.07Å; A168-P202 WeakPolarHBondContact O-CD 3.12Å
169	F	56.9	Low	58.6	Low	150 Å²	150	107.3 Å²	107.3	66%	0.658	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.5	166.5	-69	-82.7	0	0	0	109.1	Y167 D205	Y167-F169 WeakPolarHBondContact O-CD2 3.47Å; Y167-F169 PolarHBondContact O-N 3.47Å; F169-D205 WeakPolarHBondContact CA-OD2 3.38Å
170	I	69.1	Low	60.9	Low	30 Å²	30	106.7 Å²	106.7	15%	0.154	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-89.9	122.9	175	-59.8	-162	0	0	0	109	A168 Q174 L175 L178 A201 D205	A168-I170 PolarHBondContact O-N 3.07Å; I170-Q174 HydrophobicContact CG2-CB 3.8Å; I170-L175 HydrophobicContact CG2-CD1 4.15Å; I170-L175 HydrophobicContact CG2-CG 3.72Å; I170-L178 HydrophobicContact CD1-CD1 4.24Å; I170-A201 HydrophobicContact CD1-CB 3.24Å; I170-A201 HydrophobicContact CG1-CB 3.93Å; I170-D205 HydrophobicContact CB-CB 4.43Å; I170-D205 PolarHBondContact N-OD2 3.04Å
171	R	69.6	Low	62.8	Low	164 Å²	164	101.7 Å²	101.7	62%	0.619	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-72.8	151.3	175.4	-68.9	-176.2	-80	-177	-4.3	110.9	E173 Q174 L175	R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 PolarHBondContact O-N 3.27Å; R171-Q174 HydrophobicContact CB-CG 4.28Å; R171-Q174 WeakPolarHBondContact O-CA 3.5Å; R171-Q174 WeakPolarHBondContact O-CB 3.35Å; R171-Q174 PolarHBondContact O-N 2.95Å; R171-L175 PolarHBondContact O-N 3.48Å
172	Q	70.8	Confident	65.4	Low	86 Å²	86	96.7 Å²	96.7	40%	0.402	48%	0.479	S	S	.	.	H	α-helix	trans	-56.9	-37.3	-179.3	-173	169.1	-13.5	0	0	113.1	Q174 L175 Q176	Q172-Q174 VanDerWaalsContact C-N 3.33Å; Q172-Q174 PolarHBondContact O-N 2.96Å; Q172-L175 WeakPolarHBondContact O-CB 3.24Å; Q172-L175 PolarHBondContact O-N 3.28Å; Q172-Q176 PolarHBondContact O-N 2.91Å; Q172-Q176 VanDerWaalsContact O-N 3.07Å
173	E	74.7	Confident	67.7	Low	143 Å²	143	92.5 Å²	92.5	67%	0.668	45%	0.447	S	S	*	.	H	α-helix	trans	-62.6	-38.3	173.8	-63.6	169	179.8	0	0	112.1	R171 Q176 V177	R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 PolarHBondContact O-N 3.27Å; E173-Q176 PolarHBondContact O-N 3.5Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 3.46Å
174	Q	76.7	Confident	70.4	Confident	80 Å²	80	86.5 Å²	86.5	37%	0.374	43%	0.429	S	S	.	.	H	α-helix	trans	-70.4	-35.7	177.5	-66.2	173.1	-36.5	0	0	111.2	I170 R171 Q172 Q176 V177 L178	I170-Q174 HydrophobicContact CG2-CB 3.8Å; R171-Q174 HydrophobicContact CB-CG 4.28Å; R171-Q174 WeakPolarHBondContact O-CA 3.5Å; R171-Q174 WeakPolarHBondContact O-CB 3.35Å; R171-Q174 PolarHBondContact O-N 2.95Å; Q172-Q174 VanDerWaalsContact C-N 3.33Å; Q172-Q174 PolarHBondContact O-N 2.96Å; Q174-Q176 VanDerWaalsContact C-N 3.35Å; Q174-V177 PolarHBondContact O-N 3.12Å; Q174-L178 WeakPolarHBondContact O-CB 3.44Å; Q174-L178 VanDerWaalsContact O-CG 3.24Å; Q174-L178 WeakPolarHBondContact O-CG 3.36Å; Q174-L178 PolarHBondContact O-N 3.09Å
175	L	78.7	Confident	73	Confident	1 Å²	1	86 Å²	86	1%	0.005	43%	0.426	C	S	.	.	H	α-helix	trans	-63.9	-38.2	172.2	-87.6	155.1	0	0	0	112.7	I170 R171 Q172 L178 A179 L198 D205 V206	I170-L175 HydrophobicContact CG2-CD1 4.15Å; I170-L175 HydrophobicContact CG2-CG 3.72Å; R171-L175 PolarHBondContact O-N 3.48Å; Q172-L175 WeakPolarHBondContact O-CB 3.24Å; Q172-L175 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 3.26Å; L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 3.38Å; L175-L198 HydrophobicContact CD2-CD1 3.85Å; L175-D205 WeakPolarHBondContact CD1-O 3.35Å; L175-V206 HydrophobicContact CD2-CG1 4.49Å; L175-V206 HydrophobicContact CD2-CG2 4.24Å
176	Q	82.4	Confident	75.4	Confident	92 Å²	92	81.2 Å²	81.2	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-44.5	174.9	-174.6	171.2	-0.2	0	0	111.2	Q172 E173 Q174 L178 A179 E180	Q172-Q176 PolarHBondContact O-N 2.91Å; Q172-Q176 VanDerWaalsContact O-N 3.07Å; E173-Q176 PolarHBondContact O-N 3.5Å; Q174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.25Å; Q176-A179 WeakPolarHBondContact O-CB 3.29Å; Q176-A179 PolarHBondContact O-N 2.85Å; Q176-A179 VanDerWaalsContact O-N 3.17Å; Q176-E180 WeakPolarHBondContact O-CG 3.49Å; Q176-E180 PolarHBondContact O-N 3.14Å
177	V	84.7	Confident	78	Confident	69 Å²	69	80.4 Å²	80.4	42%	0.418	40%	0.395	S	S	.	.	H	α-helix	trans	-59.9	-43	173.7	172.3	0	0	0	0	111.3	E173 Q174 A179 E180 Q181	E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 3.46Å; Q174-V177 PolarHBondContact O-N 3.12Å; V177-A179 VanDerWaalsContact C-N 3.35Å; V177-A179 PolarHBondContact O-N 3.46Å; V177-E180 PolarHBondContact O-N 3.15Å; V177-Q181 HydrophobicContact CG1-CG 4.26Å; V177-Q181 WeakPolarHBondContact O-CB 3.31Å; V177-Q181 VanDerWaalsContact O-CG 3.25Å; V177-Q181 WeakPolarHBondContact O-CG 3.43Å; V177-Q181 PolarHBondContact O-N 3.24Å
178	L	86.1	Confident	80.2	Confident	15 Å²	15	74.6 Å²	74.6	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-42.3	175.2	-71.6	172.9	0	0	0	111.5	I170 Q174 L175 Q176 E180 Q181 L182 A194 A197	I170-L178 HydrophobicContact CD1-CD1 4.24Å; Q174-L178 WeakPolarHBondContact O-CB 3.44Å; Q174-L178 VanDerWaalsContact O-CG 3.24Å; Q174-L178 WeakPolarHBondContact O-CG 3.36Å; Q174-L178 PolarHBondContact O-N 3.09Å; L175-L178 PolarHBondContact O-N 3.26Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.25Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 PolarHBondContact O-N 2.83Å; L178-Q181 PolarHBondContact O-N 3.2Å; L178-L182 WeakPolarHBondContact O-CB 3.3Å; L178-L182 WeakPolarHBondContact O-CD1 3.45Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.95Å; L178-A194 HydrophobicContact CD2-CB 3.9Å; L178-A197 HydrophobicContact CD1-CB 4.44Å; L178-A197 HydrophobicContact CD2-CB 3.84Å
179	A	85	Confident	82	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-41.6	176	0	0	0	0	0	111.8	L175 Q176 V177 L182 L215 N218	L175-A179 WeakPolarHBondContact O-CB 3.41Å; L175-A179 PolarHBondContact O-N 3.38Å; Q176-A179 WeakPolarHBondContact O-CB 3.29Å; Q176-A179 PolarHBondContact O-N 2.85Å; Q176-A179 VanDerWaalsContact O-N 3.17Å; V177-A179 VanDerWaalsContact C-N 3.35Å; V177-A179 PolarHBondContact O-N 3.46Å; A179-L182 PolarHBondContact O-N 3.32Å; A179-L215 HydrophobicContact CB-CB 4.09Å; A179-L215 HydrophobicContact CB-CD1 4.17Å; A179-N218 PolarHBondContact O-ND2 3.43Å
180	E	87.4	Confident	83.5	Confident	103 Å²	103	71.9 Å²	71.9	48%	0.481	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-36.6	175.4	-70.2	174.7	-169.2	0	0	113	Q176 V177 L178 L182 D183 K186	Q176-E180 WeakPolarHBondContact O-CG 3.49Å; Q176-E180 PolarHBondContact O-N 3.14Å; V177-E180 PolarHBondContact O-N 3.15Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-E180 PolarHBondContact O-N 2.83Å; E180-L182 PolarHBondContact O-N 3.28Å; E180-D183 VanDerWaalsContact O-CB 3.31Å; E180-D183 WeakPolarHBondContact O-CB 3.22Å; E180-D183 PolarHBondContact O-N 3.46Å; E180-K186 WeakPolarHBondContact O-CE 3.32Å; E180-K186 WeakPolarHBondContact O-CG 3.49Å
181	Q	88.2	Confident	84.6	Confident	70 Å²	70	71.5 Å²	71.5	33%	0.327	35%	0.351	S	S	.	.	H	α-helix	trans	-68.5	-24.6	175	-75.8	178	-10.1	0	0	112.6	V177 L178 D183 K186 V190 R191 A194	V177-Q181 HydrophobicContact CG1-CG 4.26Å; V177-Q181 WeakPolarHBondContact O-CB 3.31Å; V177-Q181 VanDerWaalsContact O-CG 3.25Å; V177-Q181 WeakPolarHBondContact O-CG 3.43Å; V177-Q181 PolarHBondContact O-N 3.24Å; L178-Q181 PolarHBondContact O-N 3.2Å; Q181-D183 VanDerWaalsContact C-N 3.35Å; Q181-K186 WeakPolarHBondContact O-CB 3.49Å; Q181-V190 HydrophobicContact CB-CG1 4.05Å; Q181-V190 HydrophobicContact CG-CG1 4.09Å; Q181-R191 VanDerWaalsContact O-CG 3.22Å; Q181-R191 WeakPolarHBondContact O-CG 3.38Å; Q181-A194 HydrophobicContact CB-CB 3.78Å
182	L	88.9	Confident	85.4	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.9	176.1	-73.7	167.6	0	0	0	114.3	L178 A179 E180 R191 A194 L195 L198 L215 N218 L219	L178-L182 WeakPolarHBondContact O-CB 3.3Å; L178-L182 WeakPolarHBondContact O-CD1 3.45Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.95Å; A179-L182 PolarHBondContact O-N 3.32Å; E180-L182 PolarHBondContact O-N 3.28Å; L182-R191 WeakPolarHBondContact CD2-O 3.39Å; L182-A194 HydrophobicContact CD2-CB 3.93Å; L182-A194 HydrophobicContact CG-CB 3.85Å; L182-L195 HydrophobicContact CD1-CD2 4.35Å; L182-L195 HydrophobicContact CD2-CB 4.35Å; L182-L195 HydrophobicContact CD2-CD1 4.36Å; L182-L195 HydrophobicContact CD2-CD2 3.58Å; L182-L195 HydrophobicContact CD2-CG 3.41Å; L182-L195 VanDerWaalsContact CD2-CG 3.41Å; L182-L198 HydrophobicContact CD1-CD2 4.39Å; L182-L215 HydrophobicContact CD1-CD1 3.45Å; L182-L215 VanDerWaalsContact CD1-CD1 3.45Å; L182-N218 HydrophobicContact CB-CB 3.96Å; L182-L219 HydrophobicContact CD1-CD2 4.47Å
183	D	90.2	Very high	86.2	Confident	34 Å²	34	69.9 Å²	69.9	18%	0.182	35%	0.346	C	S	.	.	S	Bend	trans	-60.3	138.9	179.6	-170.6	-78.7	0	0	0	111.5	E180 Q181 N185 K186 R191 R217 N218	E180-D183 VanDerWaalsContact O-CB 3.31Å; E180-D183 WeakPolarHBondContact O-CB 3.22Å; E180-D183 PolarHBondContact O-N 3.46Å; Q181-D183 VanDerWaalsContact C-N 3.35Å; D183-N185 PolarHBondContact O-N 3.39Å; D183-N185 VanDerWaalsContact OD1-CB 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 VanDerWaalsContact OD1-CG 3.31Å; D183-N185 PolarHBondContact OD1-N 3.49Å; D183-N185 PolarHBondContact OD1-ND2 2.91Å; D183-K186 HydrophobicContact CB-CG 4.37Å; D183-K186 WeakPolarHBondContact O-CB 3.47Å; D183-K186 PolarHBondContact O-N 3.43Å; D183-R191 VanDerWaalsContact O-CD 3.31Å; D183-R191 WeakPolarHBondContact O-CD 3.09Å; D183-R217 IonicContact OD2-NH2 3.82Å; D183-N218 PolarHBondContact N-ND2 2.95Å
184	S	87.4	Confident	86.9	Confident	68 Å²	68	63.1 Å²	63.1	48%	0.476	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.2	-176.4	53.3	0	0	0	0	114.4	K186	S184-K186 VanDerWaalsContact C-N 3.26Å; S184-K186 PolarHBondContact O-N 3.36Å
185	N	88.1	Confident	87.4	Confident	140 Å²	140	59.3 Å²	59.3	75%	0.749	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.2	176.1	-61	-52.8	0	0	0	113.6	D183	D183-N185 PolarHBondContact O-N 3.39Å; D183-N185 VanDerWaalsContact OD1-CB 3.32Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 VanDerWaalsContact OD1-CG 3.31Å; D183-N185 PolarHBondContact OD1-N 3.49Å; D183-N185 PolarHBondContact OD1-ND2 2.91Å
186	K	90.5	Very high	87.8	Confident	97 Å²	97	64 Å²	64	42%	0.422	32%	0.319	S	S	.	.	S	Bend	trans	-88.1	151.8	-179.6	-60	-66.7	-174.6	177.4	0	111.9	E180 Q181 D183 S184 R191	E180-K186 WeakPolarHBondContact O-CE 3.32Å; E180-K186 WeakPolarHBondContact O-CG 3.49Å; Q181-K186 WeakPolarHBondContact O-CB 3.49Å; D183-K186 HydrophobicContact CB-CG 4.37Å; D183-K186 WeakPolarHBondContact O-CB 3.47Å; D183-K186 PolarHBondContact O-N 3.43Å; S184-K186 VanDerWaalsContact C-N 3.26Å; S184-K186 PolarHBondContact O-N 3.36Å; K186-R191 HydrophobicContact CB-CG 3.99Å; K186-R191 PolarHBondContact O-NE 3.45Å
187	P	90	Very high	88	Confident	75 Å²	75	61.7 Å²	61.7	49%	0.487	32%	0.315	S	S	.	.			trans	-54.8	147.2	175.3	-23.7	33.1	0	0	0	112.4	E189 V190 R191	P187-E189 PolarHBondContact O-N 3.2Å; P187-V190 HydrophobicContact CB-CB 4.5Å; P187-V190 HydrophobicContact CB-CG2 4.08Å; P187-V190 HydrophobicContact CG-CG2 4.14Å; P187-V190 PolarHBondContact O-N 3.41Å; P187-R191 WeakPolarHBondContact O-CG 3.12Å; P187-R191 PolarHBondContact O-N 2.89Å
188	K	87.3	Confident	88.1	Confident	78 Å²	78	58.4 Å²	58.4	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-37.7	-176.4	179.4	179.8	164.3	-177.3	0	112.2	R191 R192 D227	K188-R191 PolarHBondContact O-N 3.3Å; K188-R192 WeakPolarHBondContact O-CB 3.24Å; K188-R192 PolarHBondContact O-N 3.11Å; K188-D227 VanDerWaalsContact CE-OD2 3.31Å; K188-D227 WeakPolarHBondContact CE-OD2 3.5Å; K188-D227 IonicContact NZ-OD1 3.68Å; K188-D227 PolarHBondContact NZ-OD1 2.91Å; K188-D227 IonicContact NZ-OD2 3.98Å; K188-D227 PolarHBondContact NZ-OD2 3.28Å
189	E	88.8	Confident	87.9	Confident	112 Å²	112	58.5 Å²	58.5	52%	0.523	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-45.6	179.3	-65.5	66	-144.8	0	0	110.9	P187 R191 R192 E193	P187-E189 PolarHBondContact O-N 3.2Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 2.6Å; E189-R192 WeakPolarHBondContact O-CB 3.37Å; E189-R192 PolarHBondContact O-N 3.07Å; E189-E193 WeakPolarHBondContact O-CG 3.38Å; E189-E193 PolarHBondContact O-N 2.67Å
190	V	89.9	Confident	87.8	Confident	48 Å²	48	63 Å²	63	29%	0.291	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-43.2	176.8	177.7	0	0	0	0	110.7	Q181 P187 E193 A194	Q181-V190 HydrophobicContact CB-CG1 4.05Å; Q181-V190 HydrophobicContact CG-CG1 4.09Å; P187-V190 HydrophobicContact CB-CB 4.5Å; P187-V190 HydrophobicContact CB-CG2 4.08Å; P187-V190 HydrophobicContact CG-CG2 4.14Å; P187-V190 PolarHBondContact O-N 3.41Å; V190-E193 PolarHBondContact O-N 3.27Å; V190-A194 WeakPolarHBondContact O-CB 3.36Å; V190-A194 PolarHBondContact O-N 2.94Å
191	R	91.2	Very high	87.4	Confident	22 Å²	22	58.3 Å²	58.3	8%	0.083	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-40.2	176.6	-67.1	-172.6	-70.9	139.2	4.4	112.1	Q181 L182 D183 K186 P187 K188 E189 A194 L195 E225 L228	Q181-R191 VanDerWaalsContact O-CG 3.22Å; Q181-R191 WeakPolarHBondContact O-CG 3.38Å; L182-R191 WeakPolarHBondContact CD2-O 3.39Å; D183-R191 VanDerWaalsContact O-CD 3.31Å; D183-R191 WeakPolarHBondContact O-CD 3.09Å; K186-R191 HydrophobicContact CB-CG 3.99Å; K186-R191 PolarHBondContact O-NE 3.45Å; P187-R191 WeakPolarHBondContact O-CG 3.12Å; P187-R191 PolarHBondContact O-N 2.89Å; K188-R191 PolarHBondContact O-N 3.3Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 2.6Å; R191-A194 PolarHBondContact O-N 3.07Å; R191-L195 WeakPolarHBondContact O-CG 3.36Å; R191-L195 PolarHBondContact O-N 3.23Å; R191-E225 IonicContact CZ-OE1 3.74Å; R191-E225 IonicContact CZ-OE2 3.61Å; R191-E225 VanDerWaalsContact CZ-OE2 3.31Å; R191-E225 IonicContact NH1-OE1 2.8Å; R191-E225 PolarHBondContact NH1-OE1 2.88Å; R191-E225 IonicContact NH1-OE2 2.69Å; R191-E225 PolarHBondContact NH1-OE2 3.07Å; R191-E225 IonicContact NH2-OE1 2.84Å; R191-E225 IonicContact NH2-OE2 2.9Å; R191-E225 PolarHBondContact NH2-OE2 3.05Å; R191-L228 HydrophobicContact CB-CD1 4.05Å
192	R	87.4	Confident	86.6	Confident	102 Å²	102	56.1 Å²	56.1	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177	-172.2	-170	66.4	76.2	6.7	111.4	K188 E189 L195 Q196 L228	K188-R192 WeakPolarHBondContact O-CB 3.24Å; K188-R192 PolarHBondContact O-N 3.11Å; E189-R192 WeakPolarHBondContact O-CB 3.37Å; E189-R192 PolarHBondContact O-N 3.07Å; R192-L195 PolarHBondContact O-N 3.41Å; R192-Q196 WeakPolarHBondContact O-CB 3.47Å; R192-Q196 PolarHBondContact O-N 3.27Å; R192-L228 HydrophobicContact CB-CD2 3.9Å; R192-L228 HydrophobicContact CG-CD2 4.37Å
193	E	87.4	Confident	85.5	Confident	114 Å²	114	57.4 Å²	57.4	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-43	176.5	-74.1	172.7	-171	0	0	111.6	E189 V190 L195 Q196 A197	E189-E193 WeakPolarHBondContact O-CG 3.38Å; E189-E193 PolarHBondContact O-N 2.67Å; V190-E193 PolarHBondContact O-N 3.27Å; E193-L195 PolarHBondContact O-N 3Å; E193-Q196 PolarHBondContact O-N 2.89Å; E193-A197 WeakPolarHBondContact O-CB 3.06Å; E193-A197 PolarHBondContact O-N 3.44Å
194	A	88.8	Confident	84.4	Confident	1 Å²	1	59 Å²	59	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-41	175.4	0	0	0	0	0	112.3	L178 Q181 L182 V190 R191 A197 L198	L178-A194 HydrophobicContact CD2-CB 3.9Å; Q181-A194 HydrophobicContact CB-CB 3.78Å; L182-A194 HydrophobicContact CD2-CB 3.93Å; L182-A194 HydrophobicContact CG-CB 3.85Å; V190-A194 WeakPolarHBondContact O-CB 3.36Å; V190-A194 PolarHBondContact O-N 2.94Å; R191-A194 PolarHBondContact O-N 3.07Å; A194-A197 PolarHBondContact O-N 3.04Å; A194-L198 WeakPolarHBondContact O-CB 3.5Å; A194-L198 PolarHBondContact O-N 2.98Å
195	L	87.8	Confident	83.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-41.7	173	-77.6	175	0	0	0	112.1	L182 R191 R192 E193 L198 C199 L219 A222 L228 N231 V232	L182-L195 HydrophobicContact CD1-CD2 4.35Å; L182-L195 HydrophobicContact CD2-CB 4.35Å; L182-L195 HydrophobicContact CD2-CD1 4.36Å; L182-L195 HydrophobicContact CD2-CD2 3.58Å; L182-L195 HydrophobicContact CD2-CG 3.41Å; L182-L195 VanDerWaalsContact CD2-CG 3.41Å; R191-L195 WeakPolarHBondContact O-CG 3.36Å; R191-L195 PolarHBondContact O-N 3.23Å; R192-L195 PolarHBondContact O-N 3.41Å; E193-L195 PolarHBondContact O-N 3Å; L195-L198 PolarHBondContact O-N 3.32Å; L195-C199 PolarHBondContact O-N 3.47Å; L195-C199 PolarHBondContact O-SG 3.38Å; L195-C199 VanDerWaalsContact O-SG 3.41Å; L195-L219 HydrophobicContact CD2-CD2 3.49Å; L195-L219 VanDerWaalsContact CD2-CD2 3.49Å; L195-A222 HydrophobicContact CD1-CB 4.49Å; L195-L228 HydrophobicContact CD1-CB 3.88Å; L195-L228 HydrophobicContact CD1-CD2 4.17Å; L195-L228 HydrophobicContact CD1-CG 4.41Å; L195-N231 HydrophobicContact CB-CB 3.95Å; L195-N231 HydrophobicContact CD1-CB 3.94Å; L195-N231 HydrophobicContact CG-CB 4.47Å; L195-V232 HydrophobicContact CD1-CG2 3.89Å; L195-V232 HydrophobicContact CD2-CG2 3.86Å
196	Q	86.8	Confident	82.3	Confident	101 Å²	101	50.3 Å²	50.3	47%	0.472	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-42.8	179.6	-171.5	171.4	-3.6	0	0	111	R192 E193 L198 C199 C200	R192-Q196 WeakPolarHBondContact O-CB 3.47Å; R192-Q196 PolarHBondContact O-N 3.27Å; E193-Q196 PolarHBondContact O-N 2.89Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; Q196-L198 PolarHBondContact O-N 2.97Å; Q196-C199 PolarHBondContact O-N 3.04Å; Q196-C200 PolarHBondContact O-N 2.95Å; Q196-C200 VanDerWaalsContact O-N 3.11Å; Q196-C200 PolarHBondContact O-SG 3.49Å
197	A	86.8	Confident	80.6	Confident	42 Å²	42	48 Å²	48	35%	0.347	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-41.9	172.8	0	0	0	0	0	111.8	L178 E193 A194 C199 C200 A201	L178-A197 HydrophobicContact CD1-CB 4.44Å; L178-A197 HydrophobicContact CD2-CB 3.84Å; E193-A197 WeakPolarHBondContact O-CB 3.06Å; E193-A197 PolarHBondContact O-N 3.44Å; A194-A197 PolarHBondContact O-N 3.04Å; A197-C199 PolarHBondContact O-N 3.41Å; A197-C200 PolarHBondContact O-N 3.42Å; A197-A201 PolarHBondContact O-N 3.44Å; A197-A201 VanDerWaalsContact O-N 3.15Å
198	L	85.7	Confident	79.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-38.8	176.2	-170	70.5	0	0	0	112.5	L175 L182 A194 L195 Q196 C200 A201 V206 L215 L219 F235	L175-L198 HydrophobicContact CD2-CD1 3.85Å; L182-L198 HydrophobicContact CD1-CD2 4.39Å; A194-L198 WeakPolarHBondContact O-CB 3.5Å; A194-L198 PolarHBondContact O-N 2.98Å; L195-L198 PolarHBondContact O-N 3.32Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; Q196-L198 PolarHBondContact O-N 2.97Å; L198-C200 VanDerWaalsContact C-N 3.3Å; L198-C200 PolarHBondContact O-N 2.76Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.37Å; L198-V206 HydrophobicContact CD1-CG2 4.18Å; L198-L215 HydrophobicContact CD1-CD2 4.29Å; L198-L215 HydrophobicContact CD2-CD1 4.14Å; L198-L215 HydrophobicContact CD2-CD2 4.41Å; L198-L219 HydrophobicContact CD2-CD1 4.37Å; L198-L219 HydrophobicContact CD2-CD2 4.05Å; L198-F235 HydrophobicContact CD1-CE2 4.19Å; L198-F235 HydrophobicContact CD2-CD1 4.18Å; L198-F235 HydrophobicContact CD2-CD2 3.85Å; L198-F235 HydrophobicContact CD2-CE1 4.19Å; L198-F235 HydrophobicContact CD2-CE2 3.84Å; L198-F235 HydrophobicContact CD2-CG 4.04Å; L198-F235 HydrophobicContact CD2-CZ 4.04Å; L198-F235 HydrophobicContact CG-CD2 3.74Å; L198-F235 HydrophobicContact CG-CE2 3.67Å; L198-F235 HydrophobicContact CG-CG 4.4Å; L198-F235 HydrophobicContact CG-CZ 4.3Å
199	C	83.4	Confident	78.1	Confident	16 Å²	16	45 Å²	45	11%	0.108	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-31.6	174.7	-75.4	0	0	0	0	112.9	L195 Q196 A197 A201 N231 K238	L195-C199 PolarHBondContact O-N 3.47Å; L195-C199 PolarHBondContact O-SG 3.38Å; L195-C199 VanDerWaalsContact O-SG 3.41Å; Q196-C199 PolarHBondContact O-N 3.04Å; A197-C199 PolarHBondContact O-N 3.41Å; C199-A201 VanDerWaalsContact C-N 3.33Å; C199-N231 PolarHBondContact SG-O 2.97Å; C199-N231 VanDerWaalsContact SG-O 3.39Å; C199-K238 PolarHBondContact O-NZ 3.37Å
200	C	81.8	Confident	77.3	Confident	97 Å²	97	47.6 Å²	47.6	66%	0.655	26%	0.264	S	S	*	.	H	α-helix	trans	-75.9	-21.4	175.7	-66.6	0	0	0	0	112.7	Q196 A197 L198	Q196-C200 PolarHBondContact O-N 2.95Å; Q196-C200 VanDerWaalsContact O-N 3.11Å; Q196-C200 PolarHBondContact O-SG 3.49Å; A197-C200 PolarHBondContact O-N 3.42Å; L198-C200 VanDerWaalsContact C-N 3.3Å; L198-C200 PolarHBondContact O-N 2.76Å
201	A	78.5	Confident	76.6	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.025	26%	0.257	C	S	.	.	S	Bend	trans	-60.7	141.3	-179.5	0	0	0	0	0	113.1	I170 A197 L198 C199 V206 K238	I170-A201 HydrophobicContact CD1-CB 3.24Å; I170-A201 HydrophobicContact CG1-CB 3.93Å; A197-A201 PolarHBondContact O-N 3.44Å; A197-A201 VanDerWaalsContact O-N 3.15Å; L198-A201 WeakPolarHBondContact O-CB 3.33Å; L198-A201 PolarHBondContact O-N 3.37Å; C199-A201 VanDerWaalsContact C-N 3.33Å; A201-V206 HydrophobicContact CB-CG2 4.4Å; A201-K238 PolarHBondContact O-NZ 3.23Å
202	P	72.6	Confident	76.3	Confident	25 Å²	25	46.6 Å²	46.6	16%	0.162	26%	0.258	C	S	.	.			trans	-57	134.7	166	-22.6	33.5	0	0	0	110.7	A168 S204 D205	A168-P202 WeakPolarHBondContact O-CD 3.12Å; P202-S204 WeakPolarHBondContact CB-OG 3.49Å; P202-S204 PolarHBondContact O-N 2.69Å; P202-S204 VanDerWaalsContact O-N 3.12Å; P202-D205 WeakPolarHBondContact CD-OD2 3.22Å; P202-D205 WeakPolarHBondContact CG-OD2 3.2Å; P202-D205 PolarHBondContact O-N 3.38Å
203	P	65.8	Low	76.1	Confident	30 Å²	30	45.1 Å²	45.1	20%	0.195	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.4	178.8	-24.8	34.4	0	0	0	113.7	D205 L207 K238 S242	P203-D205 VanDerWaalsContact C-N 3.28Å; P203-D205 PolarHBondContact O-N 3.47Å; P203-L207 VanDerWaalsContact O-CD1 3.29Å; P203-L207 WeakPolarHBondContact O-CD1 3.29Å; P203-L207 WeakPolarHBondContact O-CD2 3.32Å; P203-L207 WeakPolarHBondContact O-CG 3.41Å; P203-K238 HydrophobicContact CG-CD 4.43Å; P203-K238 HydrophobicContact CG-CG 4.14Å; P203-S242 WeakPolarHBondContact CB-OG 3.19Å; P203-S242 WeakPolarHBondContact CG-OG 3.46Å
204	S	65.9	Low	76.1	Confident	68 Å²	68	42.2 Å²	42.2	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-36.2	175	47.8	0	0	0	0	113.1	P202 L207	P202-S204 WeakPolarHBondContact CB-OG 3.49Å; P202-S204 PolarHBondContact O-N 2.69Å; P202-S204 VanDerWaalsContact O-N 3.12Å; S204-L207 VanDerWaalsContact CA-CD1 3.47Å; S204-L207 WeakPolarHBondContact O-CD1 3.29Å; S204-L207 WeakPolarHBondContact O-CG 3.45Å
205	D	66.6	Low	76	Confident	21 Å²	21	42.2 Å²	42.2	11%	0.112	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-81.4	-25.2	-166.3	-60.8	1.3	0	0	0	111.2	F169 I170 L175 P202 P203 L207 S208	F169-D205 WeakPolarHBondContact CA-OD2 3.38Å; I170-D205 HydrophobicContact CB-CB 4.43Å; I170-D205 PolarHBondContact N-OD2 3.04Å; L175-D205 WeakPolarHBondContact CD1-O 3.35Å; P202-D205 WeakPolarHBondContact CD-OD2 3.22Å; P202-D205 WeakPolarHBondContact CG-OD2 3.2Å; P202-D205 PolarHBondContact O-N 3.38Å; P203-D205 VanDerWaalsContact C-N 3.28Å; P203-D205 PolarHBondContact O-N 3.47Å; D205-L207 PolarHBondContact O-N 2.67Å; D205-S208 PolarHBondContact O-OG 2.82Å
206	V	64.5	Low	76	Confident	4 Å²	4	46 Å²	46	2%	0.024	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-76.6	-14	-179.5	-170.7	0	0	0	0	112.3	L175 L198 A201 C209 W212 L215 F235	L175-V206 HydrophobicContact CD2-CG1 4.49Å; L175-V206 HydrophobicContact CD2-CG2 4.24Å; L198-V206 HydrophobicContact CD1-CG2 4.18Å; A201-V206 HydrophobicContact CB-CG2 4.4Å; V206-C209 WeakPolarHBondContact O-CB 3.31Å; V206-W212 HydrophobicContact CG1-CE3 4.21Å; V206-W212 HydrophobicContact CG1-CZ3 4.05Å; V206-L215 HydrophobicContact CG1-CD2 4.12Å; V206-F235 HydrophobicContact CG1-CE2 4.42Å; V206-F235 HydrophobicContact CG1-CZ 3.96Å; V206-F235 HydrophobicContact CG2-CE2 4.24Å
207	L	56.8	Low	76.2	Confident	47 Å²	47	48.3 Å²	48.3	25%	0.246	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-87.6	-19.5	-167	-50	164.1	0	0	0	113.9	P203 S204 D205 P244 V247	P203-L207 VanDerWaalsContact O-CD1 3.29Å; P203-L207 WeakPolarHBondContact O-CD1 3.29Å; P203-L207 WeakPolarHBondContact O-CD2 3.32Å; P203-L207 WeakPolarHBondContact O-CG 3.41Å; S204-L207 VanDerWaalsContact CA-CD1 3.47Å; S204-L207 WeakPolarHBondContact O-CD1 3.29Å; S204-L207 WeakPolarHBondContact O-CG 3.45Å; D205-L207 PolarHBondContact O-N 2.67Å; L207-P244 HydrophobicContact CB-CG 3.98Å; L207-P244 HydrophobicContact CD1-CG 3.3Å; L207-P244 HydrophobicContact CD2-CG 3.64Å; L207-P244 HydrophobicContact CG-CG 3.74Å; L207-V247 HydrophobicContact CD2-CB 4.07Å; L207-V247 HydrophobicContact CD2-CG1 4.18Å; L207-V247 HydrophobicContact CD2-CG2 3.84Å
208	S	58.9	Low	76.3	Confident	78 Å²	78	46.6 Å²	46.6	55%	0.545	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-97.7	7.9	177.3	50.4	0	0	0	0	112.5	D205 E210	D205-S208 PolarHBondContact O-OG 2.82Å; S208-E210 PolarHBondContact O-N 2.9Å
209	C	65.2	Low	76.5	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.081	26%	0.257	C	S	.	.			trans	-76.5	110.5	-173.4	-169.8	0	0	0	0	112	V206 S211 W212	V206-C209 WeakPolarHBondContact O-CB 3.31Å; C209-S211 PolarHBondContact O-N 2.92Å; C209-S211 VanDerWaalsContact O-N 3.14Å; C209-S211 PolarHBondContact SG-N 2.98Å; C209-S211 VanDerWaalsContact SG-N 3.41Å; C209-W212 VanDerWaalsContact O-CB 3.29Å; C209-W212 WeakPolarHBondContact O-CB 3.32Å; C209-W212 PolarHBondContact O-N 3.2Å
210	E	72	Confident	76.8	Confident	168 Å²	168	47.4 Å²	47.4	79%	0.785	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24	168.5	-70.4	179.2	178.1	0	0	112.7	S208 W212	S208-E210 PolarHBondContact O-N 2.9Å; E210-W212 VanDerWaalsContact C-N 3.34Å
211	S	75.3	Confident	77.1	Confident	22 Å²	22	44.9 Å²	44.9	15%	0.154	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10.7	177.3	-60	0	0	0	0	114.1	C209 S213 T214 L215	C209-S211 PolarHBondContact O-N 2.92Å; C209-S211 VanDerWaalsContact O-N 3.14Å; C209-S211 PolarHBondContact SG-N 2.98Å; C209-S211 VanDerWaalsContact SG-N 3.41Å; S211-S213 PolarHBondContact O-N 3.07Å; S211-T214 WeakPolarHBondContact O-CB 3.06Å; S211-T214 PolarHBondContact O-N 3.19Å; S211-T214 VanDerWaalsContact O-N 3.1Å; S211-L215 PolarHBondContact O-N 3.15Å
212	W	83.9	Confident	77.7	Confident	26 Å²	26	44.9 Å²	44.9	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-54.6	-38.4	-178.2	171.5	-110.8	0	0	0	113.3	V206 C209 E210 T214 L215 R216 F235 V247 E250 I251	V206-W212 HydrophobicContact CG1-CE3 4.21Å; V206-W212 HydrophobicContact CG1-CZ3 4.05Å; C209-W212 VanDerWaalsContact O-CB 3.29Å; C209-W212 WeakPolarHBondContact O-CB 3.32Å; C209-W212 PolarHBondContact O-N 3.2Å; E210-W212 VanDerWaalsContact C-N 3.34Å; W212-T214 PolarHBondContact O-N 3.24Å; W212-L215 HydrophobicContact CE3-CD2 4.06Å; W212-L215 HydrophobicContact CZ3-CD2 4.15Å; W212-L215 PolarHBondContact O-N 3.29Å; W212-R216 HydrophobicContact CZ2-CB 4.2Å; W212-R216 HydrophobicContact CZ2-CG 4.23Å; W212-R216 WeakPolarHBondContact O-CB 3.47Å; W212-R216 PolarHBondContact O-N 3.39Å; W212-F235 HydrophobicContact CZ3-CE1 4.48Å; W212-F235 HydrophobicContact CZ3-CZ 4.47Å; W212-V247 HydrophobicContact CH2-CG1 3.76Å; W212-V247 HydrophobicContact CZ2-CG1 3.81Å; W212-V247 HydrophobicContact CZ3-CG1 4.19Å; W212-E250 VanDerWaalsContact CD1-OE2 3.32Å; W212-E250 HydrophobicContact CZ2-CB 4.44Å; W212-E250 PolarHBondContact NE1-OE2 3.08Å; W212-I251 HydrophobicContact CH2-CD1 3.87Å; W212-I251 HydrophobicContact CH2-CG1 3.62Å; W212-I251 HydrophobicContact CZ2-CD1 4.4Å; W212-I251 HydrophobicContact CZ2-CG1 3.8Å
213	S	84.6	Confident	78.5	Confident	72 Å²	72	43.7 Å²	43.7	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-44.4	178	57.3	0	0	0	0	112.4	S211 R217	S211-S213 PolarHBondContact O-N 3.07Å; S213-R217 PolarHBondContact O-N 2.91Å; S213-R217 VanDerWaalsContact O-N 3.14Å
214	T	86.6	Confident	79.3	Confident	53 Å²	53	46 Å²	46	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-47	175.4	-55.6	0	0	0	0	111	S211 W212 R216 R217 N218	S211-T214 WeakPolarHBondContact O-CB 3.06Å; S211-T214 PolarHBondContact O-N 3.19Å; S211-T214 VanDerWaalsContact O-N 3.1Å; W212-T214 PolarHBondContact O-N 3.24Å; T214-R216 PolarHBondContact O-N 3.06Å; T214-R217 WeakPolarHBondContact O-CB 3.48Å; T214-R217 PolarHBondContact O-N 3.33Å; T214-N218 VanDerWaalsContact O-CG 3.3Å; T214-N218 PolarHBondContact O-N 3.49Å; T214-N218 PolarHBondContact O-OD1 3.23Å
215	L	87.6	Confident	80.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-49.4	178	-179.6	60.8	0	0	0	111.2	A179 L182 L198 V206 S211 W212 R217 N218 L219	A179-L215 HydrophobicContact CB-CB 4.09Å; A179-L215 HydrophobicContact CB-CD1 4.17Å; L182-L215 HydrophobicContact CD1-CD1 3.45Å; L182-L215 VanDerWaalsContact CD1-CD1 3.45Å; L198-L215 HydrophobicContact CD1-CD2 4.29Å; L198-L215 HydrophobicContact CD2-CD1 4.14Å; L198-L215 HydrophobicContact CD2-CD2 4.41Å; V206-L215 HydrophobicContact CG1-CD2 4.12Å; S211-L215 PolarHBondContact O-N 3.15Å; W212-L215 HydrophobicContact CE3-CD2 4.06Å; W212-L215 HydrophobicContact CZ3-CD2 4.15Å; W212-L215 PolarHBondContact O-N 3.29Å; L215-R217 VanDerWaalsContact C-N 3.32Å; L215-R217 PolarHBondContact O-N 3.18Å; L215-N218 PolarHBondContact O-N 2.93Å; L215-N218 VanDerWaalsContact O-N 3.15Å; L215-L219 HydrophobicContact CD1-CD1 4.21Å; L215-L219 HydrophobicContact CD1-CG 4.21Å; L215-L219 HydrophobicContact CG-CD1 3.89Å; L215-L219 HydrophobicContact CG-CG 4.33Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.11Å
216	R	87.8	Confident	81	Confident	81 Å²	81	47.8 Å²	47.8	31%	0.306	26%	0.26	S	S	.	.	H	α-helix	trans	-56.9	-44.6	177.6	-173.2	-174.3	73.2	-179.3	5.4	111.6	W212 T214 L219 C220 E250 S254	W212-R216 HydrophobicContact CZ2-CB 4.2Å; W212-R216 HydrophobicContact CZ2-CG 4.23Å; W212-R216 WeakPolarHBondContact O-CB 3.47Å; W212-R216 PolarHBondContact O-N 3.39Å; T214-R216 PolarHBondContact O-N 3.06Å; R216-L219 PolarHBondContact O-N 3.33Å; R216-C220 PolarHBondContact O-N 3.38Å; R216-C220 PolarHBondContact O-SG 3.08Å; R216-E250 IonicContact CZ-OE2 3.74Å; R216-E250 IonicContact NH1-OE1 3.63Å; R216-E250 IonicContact NH1-OE2 3.48Å; R216-E250 PolarHBondContact NH1-OE2 3.45Å; R216-S254 WeakPolarHBondContact CD-OG 3.45Å
217	R	88.9	Confident	81.9	Confident	148 Å²	148	52.1 Å²	52.1	56%	0.558	28%	0.283	S	S	*	.	H	α-helix	trans	-59.8	-46.6	176.6	-178	-172.5	66.2	167.9	1.8	111.3	D183 S213 T214 L215 C220 S221	D183-R217 IonicContact OD2-NH2 3.82Å; S213-R217 PolarHBondContact O-N 2.91Å; S213-R217 VanDerWaalsContact O-N 3.14Å; T214-R217 WeakPolarHBondContact O-CB 3.48Å; T214-R217 PolarHBondContact O-N 3.33Å; L215-R217 VanDerWaalsContact C-N 3.32Å; L215-R217 PolarHBondContact O-N 3.18Å; R217-C220 WeakPolarHBondContact O-CB 3.25Å; R217-C220 PolarHBondContact O-N 2.8Å; R217-S221 PolarHBondContact O-N 2.75Å
218	N	90.3	Very high	83.3	Confident	6 Å²	6	50 Å²	50	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-38.3	-178.5	-66	-2.2	0	0	0	111.3	A179 L182 D183 T214 L215 S221 A222	A179-N218 PolarHBondContact O-ND2 3.43Å; L182-N218 HydrophobicContact CB-CB 3.96Å; D183-N218 PolarHBondContact N-ND2 2.95Å; T214-N218 VanDerWaalsContact O-CG 3.3Å; T214-N218 PolarHBondContact O-N 3.49Å; T214-N218 PolarHBondContact O-OD1 3.23Å; L215-N218 PolarHBondContact O-N 2.93Å; L215-N218 VanDerWaalsContact O-N 3.15Å; N218-S221 WeakPolarHBondContact O-CB 3.4Å; N218-S221 PolarHBondContact O-N 3.23Å; N218-A222 WeakPolarHBondContact O-CB 3.43Å; N218-A222 PolarHBondContact O-N 2.8Å
219	L	90.5	Very high	84.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-42	171.6	-70.1	171.6	0	0	0	112.2	L182 L195 L198 L215 R216 S221 A222 L223 V232 F235 F236	L182-L219 HydrophobicContact CD1-CD2 4.47Å; L195-L219 HydrophobicContact CD2-CD2 3.49Å; L195-L219 VanDerWaalsContact CD2-CD2 3.49Å; L198-L219 HydrophobicContact CD2-CD1 4.37Å; L198-L219 HydrophobicContact CD2-CD2 4.05Å; L215-L219 HydrophobicContact CD1-CD1 4.21Å; L215-L219 HydrophobicContact CD1-CG 4.21Å; L215-L219 HydrophobicContact CG-CD1 3.89Å; L215-L219 HydrophobicContact CG-CG 4.33Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 VanDerWaalsContact O-CG 3.27Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.11Å; R216-L219 PolarHBondContact O-N 3.33Å; L219-S221 VanDerWaalsContact C-N 3.33Å; L219-S221 PolarHBondContact O-N 2.89Å; L219-A222 PolarHBondContact O-N 3.06Å; L219-L223 WeakPolarHBondContact O-CB 3.22Å; L219-L223 PolarHBondContact O-N 3.43Å; L219-V232 HydrophobicContact CB-CG1 4.37Å; L219-V232 HydrophobicContact CD2-CG1 4.36Å; L219-V232 HydrophobicContact CD2-CG2 4.23Å; L219-F235 HydrophobicContact CD1-CD1 3.87Å; L219-F235 HydrophobicContact CD1-CE1 3.59Å; L219-F235 HydrophobicContact CD2-CD1 4.4Å; L219-F236 HydrophobicContact CB-CE1 4.4Å; L219-F236 HydrophobicContact CB-CZ 4.49Å; L219-F236 HydrophobicContact CD1-CE1 4.19Å
220	C	89.4	Confident	85.9	Confident	34 Å²	34	50.7 Å²	50.7	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.8	-67	0	0	0	0	111.9	R216 R217 L223	R216-C220 PolarHBondContact O-N 3.38Å; R216-C220 PolarHBondContact O-SG 3.08Å; R217-C220 WeakPolarHBondContact O-CB 3.25Å; R217-C220 PolarHBondContact O-N 2.8Å; C220-L223 WeakPolarHBondContact O-CB 3.39Å; C220-L223 PolarHBondContact O-N 2.67Å
221	S	87.9	Confident	86.7	Confident	45 Å²	45	44.5 Å²	44.5	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-51.4	174	-170.9	0	0	0	0	110.7	R217 N218 L219 L223 T224	R217-S221 PolarHBondContact O-N 2.75Å; N218-S221 WeakPolarHBondContact O-CB 3.4Å; N218-S221 PolarHBondContact O-N 3.23Å; L219-S221 VanDerWaalsContact C-N 3.33Å; L219-S221 PolarHBondContact O-N 2.89Å; S221-L223 VanDerWaalsContact C-N 3.25Å; S221-L223 PolarHBondContact O-N 3.4Å; S221-T224 PolarHBondContact O-N 2.85Å; S221-T224 VanDerWaalsContact O-N 3.08Å; S221-T224 PolarHBondContact O-OG1 3.45Å
222	A	90.1	Very high	87.5	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-29.6	-179.8	0	0	0	0	0	113.2	L195 N218 L219 T224 E225 L228 V232	L195-A222 HydrophobicContact CD1-CB 4.49Å; N218-A222 WeakPolarHBondContact O-CB 3.43Å; N218-A222 PolarHBondContact O-N 2.8Å; L219-A222 PolarHBondContact O-N 3.06Å; A222-T224 PolarHBondContact O-N 3.44Å; A222-E225 WeakPolarHBondContact O-CB 3.44Å; A222-E225 PolarHBondContact O-N 3.23Å; A222-L228 HydrophobicContact CB-CB 4.13Å; A222-L228 HydrophobicContact CB-CD1 4.15Å; A222-V232 HydrophobicContact CB-CG2 3.78Å
223	L	89.2	Confident	87.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-28.1	176.1	-173.5	61.3	0	0	0	112.8	L219 C220 S221 E225 S229 V232 L233 F236 L255 S258 Q290	L219-L223 WeakPolarHBondContact O-CB 3.22Å; L219-L223 PolarHBondContact O-N 3.43Å; C220-L223 WeakPolarHBondContact O-CB 3.39Å; C220-L223 PolarHBondContact O-N 2.67Å; S221-L223 VanDerWaalsContact C-N 3.25Å; S221-L223 PolarHBondContact O-N 3.4Å; L223-E225 VanDerWaalsContact C-N 3.31Å; L223-S229 WeakPolarHBondContact O-CB 3.35Å; L223-V232 HydrophobicContact CB-CG1 4.14Å; L223-V232 HydrophobicContact CD1-CB 4.24Å; L223-V232 HydrophobicContact CD1-CG1 3.99Å; L223-L233 HydrophobicContact CD1-CD2 3.99Å; L223-L233 HydrophobicContact CD1-CG 3.94Å; L223-F236 HydrophobicContact CD2-CE2 4.09Å; L223-L255 HydrophobicContact CD2-CD1 3.78Å; L223-S258 WeakPolarHBondContact CD2-OG 3.36Å; L223-Q290 HydrophobicContact CD1-CG 4.16Å
224	T	84.3	Confident	88.1	Confident	79 Å²	79	45.2 Å²	45.2	49%	0.485	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.9	177	69	0	0	0	0	113.3	S221 A222 R286	S221-T224 PolarHBondContact O-N 2.85Å; S221-T224 VanDerWaalsContact O-N 3.08Å; S221-T224 PolarHBondContact O-OG1 3.45Å; A222-T224 PolarHBondContact O-N 3.44Å; T224-R286 PolarHBondContact O-NH1 3.49Å
225	E	85.9	Confident	88.2	Confident	41 Å²	41	43 Å²	43	19%	0.192	22%	0.218	C	C	.	.	S	Bend	trans	-94.3	129.2	178.2	-68	176.4	-134.2	0	0	110.5	R191 A222 L223 D227 L228 S229	R191-E225 IonicContact CZ-OE1 3.74Å; R191-E225 IonicContact CZ-OE2 3.61Å; R191-E225 VanDerWaalsContact CZ-OE2 3.31Å; R191-E225 IonicContact NH1-OE1 2.8Å; R191-E225 PolarHBondContact NH1-OE1 2.88Å; R191-E225 IonicContact NH1-OE2 2.69Å; R191-E225 PolarHBondContact NH1-OE2 3.07Å; R191-E225 IonicContact NH2-OE1 2.84Å; R191-E225 IonicContact NH2-OE2 2.9Å; R191-E225 PolarHBondContact NH2-OE2 3.05Å; A222-E225 WeakPolarHBondContact O-CB 3.44Å; A222-E225 PolarHBondContact O-N 3.23Å; L223-E225 VanDerWaalsContact C-N 3.31Å; E225-D227 VanDerWaalsContact C-N 3.3Å; E225-D227 PolarHBondContact O-N 3.38Å; E225-L228 HydrophobicContact CB-CB 4.34Å; E225-L228 PolarHBondContact O-N 3.35Å; E225-L228 WeakPolarHBondContact OE2-CD1 3.39Å; E225-S229 VanDerWaalsContact O-CB 3.23Å; E225-S229 WeakPolarHBondContact O-CB 3.5Å; E225-S229 PolarHBondContact O-N 3.18Å; E225-S229 PolarHBondContact O-OG 2.85Å
226	P	80.6	Confident	88.4	Confident	86 Å²	86	43.1 Å²	43.1	56%	0.558	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-42.2	-173.7	20.7	-30.6	0	0	0	112.7	S229	P226-S229 PolarHBondContact O-OG 2.89Å; P226-S229 VanDerWaalsContact O-OG 3.13Å
227	D	83.5	Confident	88.5	Confident	95 Å²	95	41 Å²	41	51%	0.508	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23.3	-174.5	-56.1	-85.4	0	0	0	115	K188 E225	K188-D227 VanDerWaalsContact CE-OD2 3.31Å; K188-D227 WeakPolarHBondContact CE-OD2 3.5Å; K188-D227 IonicContact NZ-OD1 3.68Å; K188-D227 PolarHBondContact NZ-OD1 2.91Å; K188-D227 IonicContact NZ-OD2 3.98Å; K188-D227 PolarHBondContact NZ-OD2 3.28Å; E225-D227 VanDerWaalsContact C-N 3.3Å; E225-D227 PolarHBondContact O-N 3.38Å
228	L	87.8	Confident	88.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-21.4	-175.9	-59.3	-176.7	0	0	0	112.4	R191 R192 L195 A222 E225 E230 N231 V232	R191-L228 HydrophobicContact CB-CD1 4.05Å; R192-L228 HydrophobicContact CB-CD2 3.9Å; R192-L228 HydrophobicContact CG-CD2 4.37Å; L195-L228 HydrophobicContact CD1-CB 3.88Å; L195-L228 HydrophobicContact CD1-CD2 4.17Å; L195-L228 HydrophobicContact CD1-CG 4.41Å; A222-L228 HydrophobicContact CB-CB 4.13Å; A222-L228 HydrophobicContact CB-CD1 4.15Å; E225-L228 HydrophobicContact CB-CB 4.34Å; E225-L228 PolarHBondContact O-N 3.35Å; E225-L228 WeakPolarHBondContact OE2-CD1 3.39Å; L228-E230 PolarHBondContact O-N 2.85Å; L228-E230 VanDerWaalsContact O-N 3.17Å; L228-N231 PolarHBondContact O-N 3.18Å; L228-N231 VanDerWaalsContact O-N 3.16Å; L228-V232 PolarHBondContact O-N 2.88Å
229	S	88.9	Confident	88	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-55.2	-35.7	-175.4	64.6	0	0	0	0	114.2	L223 E225 P226 V232 L233	L223-S229 WeakPolarHBondContact O-CB 3.35Å; E225-S229 VanDerWaalsContact O-CB 3.23Å; E225-S229 WeakPolarHBondContact O-CB 3.5Å; E225-S229 PolarHBondContact O-N 3.18Å; E225-S229 PolarHBondContact O-OG 2.85Å; P226-S229 PolarHBondContact O-OG 2.89Å; P226-S229 VanDerWaalsContact O-OG 3.13Å; S229-V232 PolarHBondContact O-N 3.39Å; S229-L233 WeakPolarHBondContact O-CB 3.16Å; S229-L233 VanDerWaalsContact O-CG 3.3Å; S229-L233 WeakPolarHBondContact O-CG 3.35Å; S229-L233 PolarHBondContact O-N 2.73Å
230	E	88.9	Confident	87.8	Confident	99 Å²	99	38.4 Å²	38.4	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-67	-43.4	-179.7	-61.3	-163.8	165.2	0	0	112.1	L228 V232 L233 Q234 K289	L228-E230 PolarHBondContact O-N 2.85Å; L228-E230 VanDerWaalsContact O-N 3.17Å; E230-V232 VanDerWaalsContact C-N 3.34Å; E230-V232 PolarHBondContact O-N 3.39Å; E230-L233 PolarHBondContact O-N 3.28Å; E230-Q234 PolarHBondContact O-N 2.79Å; E230-K289 VanDerWaalsContact CD-NZ 3.26Å; E230-K289 IonicContact OE1-NZ 3Å; E230-K289 PolarHBondContact OE1-NZ 3.14Å; E230-K289 IonicContact OE2-NZ 2.65Å
231	N	88.9	Confident	87.3	Confident	37 Å²	37	41.6 Å²	41.6	20%	0.198	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-38.7	177.8	-65.6	10.1	0	0	0	110.9	L195 C199 L228 Q234 F235	L195-N231 HydrophobicContact CB-CB 3.95Å; L195-N231 HydrophobicContact CD1-CB 3.94Å; L195-N231 HydrophobicContact CG-CB 4.47Å; C199-N231 PolarHBondContact SG-O 2.97Å; C199-N231 VanDerWaalsContact SG-O 3.39Å; L228-N231 PolarHBondContact O-N 3.18Å; L228-N231 VanDerWaalsContact O-N 3.16Å; N231-Q234 PolarHBondContact O-N 3.22Å; N231-F235 PolarHBondContact O-N 3.32Å
232	V	91.8	Very high	86.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.7	178.9	0	0	0	0	111.2	L195 L219 A222 L223 L228 S229 E230 Q234 F235 F236	L195-V232 HydrophobicContact CD1-CG2 3.89Å; L195-V232 HydrophobicContact CD2-CG2 3.86Å; L219-V232 HydrophobicContact CB-CG1 4.37Å; L219-V232 HydrophobicContact CD2-CG1 4.36Å; L219-V232 HydrophobicContact CD2-CG2 4.23Å; A222-V232 HydrophobicContact CB-CG2 3.78Å; L223-V232 HydrophobicContact CB-CG1 4.14Å; L223-V232 HydrophobicContact CD1-CB 4.24Å; L223-V232 HydrophobicContact CD1-CG1 3.99Å; L228-V232 PolarHBondContact O-N 2.88Å; S229-V232 PolarHBondContact O-N 3.39Å; E230-V232 VanDerWaalsContact C-N 3.34Å; E230-V232 PolarHBondContact O-N 3.39Å; V232-Q234 VanDerWaalsContact C-N 3.34Å; V232-Q234 PolarHBondContact O-N 2.91Å; V232-F235 WeakPolarHBondContact O-CB 3.42Å; V232-F235 PolarHBondContact O-N 3.13Å; V232-F236 HydrophobicContact CG1-CD1 4.34Å; V232-F236 HydrophobicContact CG1-CD2 4.4Å; V232-F236 HydrophobicContact CG1-CE1 3.96Å; V232-F236 HydrophobicContact CG1-CE2 4.05Å; V232-F236 HydrophobicContact CG1-CZ 3.8Å; V232-F236 WeakPolarHBondContact O-CG 3.43Å; V232-F236 PolarHBondContact O-N 3.32Å
233	L	91.9	Very high	85.4	Confident	16 Å²	16	43 Å²	43	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-37	177.3	-74.8	176.3	0	0	0	112.5	L223 S229 E230 F235 F236 A237 L255 K289 Q290 L293	L223-L233 HydrophobicContact CD1-CD2 3.99Å; L223-L233 HydrophobicContact CD1-CG 3.94Å; S229-L233 WeakPolarHBondContact O-CB 3.16Å; S229-L233 VanDerWaalsContact O-CG 3.3Å; S229-L233 WeakPolarHBondContact O-CG 3.35Å; S229-L233 PolarHBondContact O-N 2.73Å; E230-L233 PolarHBondContact O-N 3.28Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F236 PolarHBondContact O-N 2.86Å; L233-A237 WeakPolarHBondContact O-CB 3.23Å; L233-A237 PolarHBondContact O-N 3.3Å; L233-L255 HydrophobicContact CD2-CD1 4.24Å; L233-K289 HydrophobicContact CD1-CB 3.68Å; L233-Q290 HydrophobicContact CD1-CG 4.2Å; L233-Q290 HydrophobicContact CD2-CG 3.99Å; L233-L293 HydrophobicContact CD2-CD2 3.64Å
234	Q	90.1	Very high	84.4	Confident	120 Å²	120	45.5 Å²	45.5	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-43.6	173.4	-174.4	-180	11.9	0	0	111.2	E230 N231 V232 A237 K238	E230-Q234 PolarHBondContact O-N 2.79Å; N231-Q234 PolarHBondContact O-N 3.22Å; V232-Q234 VanDerWaalsContact C-N 3.34Å; V232-Q234 PolarHBondContact O-N 2.91Å; Q234-A237 PolarHBondContact O-N 2.87Å; Q234-K238 PolarHBondContact O-N 3.09Å
235	F	88.6	Confident	83.7	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-49.6	173.9	173.5	-105.5	0	0	0	111.3	L198 V206 W212 L219 N231 V232 L233 A237 K238 S239	L198-F235 HydrophobicContact CD1-CE2 4.19Å; L198-F235 HydrophobicContact CD2-CD1 4.18Å; L198-F235 HydrophobicContact CD2-CD2 3.85Å; L198-F235 HydrophobicContact CD2-CE1 4.19Å; L198-F235 HydrophobicContact CD2-CE2 3.84Å; L198-F235 HydrophobicContact CD2-CG 4.04Å; L198-F235 HydrophobicContact CD2-CZ 4.04Å; L198-F235 HydrophobicContact CG-CD2 3.74Å; L198-F235 HydrophobicContact CG-CE2 3.67Å; L198-F235 HydrophobicContact CG-CG 4.4Å; L198-F235 HydrophobicContact CG-CZ 4.3Å; V206-F235 HydrophobicContact CG1-CE2 4.42Å; V206-F235 HydrophobicContact CG1-CZ 3.96Å; V206-F235 HydrophobicContact CG2-CE2 4.24Å; W212-F235 HydrophobicContact CZ3-CE1 4.48Å; W212-F235 HydrophobicContact CZ3-CZ 4.47Å; L219-F235 HydrophobicContact CD1-CD1 3.87Å; L219-F235 HydrophobicContact CD1-CE1 3.59Å; L219-F235 HydrophobicContact CD2-CD1 4.4Å; N231-F235 PolarHBondContact O-N 3.32Å; V232-F235 WeakPolarHBondContact O-CB 3.42Å; V232-F235 PolarHBondContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.34Å; F235-A237 PolarHBondContact O-N 3.4Å; F235-K238 PolarHBondContact O-N 2.83Å; F235-S239 PolarHBondContact O-N 3Å; F235-S239 PolarHBondContact O-OG 2.89Å
236	F	90.6	Very high	83.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-42.2	177.9	-72.7	-1.1	0	0	0	112.9	L219 L223 V232 L233 S239 F240 I251 L255 L293	L219-F236 HydrophobicContact CB-CE1 4.4Å; L219-F236 HydrophobicContact CB-CZ 4.49Å; L219-F236 HydrophobicContact CD1-CE1 4.19Å; L223-F236 HydrophobicContact CD2-CE2 4.09Å; V232-F236 HydrophobicContact CG1-CD1 4.34Å; V232-F236 HydrophobicContact CG1-CD2 4.4Å; V232-F236 HydrophobicContact CG1-CE1 3.96Å; V232-F236 HydrophobicContact CG1-CE2 4.05Å; V232-F236 HydrophobicContact CG1-CZ 3.8Å; V232-F236 WeakPolarHBondContact O-CG 3.43Å; V232-F236 PolarHBondContact O-N 3.32Å; L233-F236 PolarHBondContact O-N 2.86Å; F236-S239 PolarHBondContact O-N 3.42Å; F236-F240 WeakPolarHBondContact O-CD2 3.35Å; F236-F240 WeakPolarHBondContact O-CG 3.13Å; F236-F240 PolarHBondContact O-N 2.8Å; F236-I251 HydrophobicContact CB-CG2 3.82Å; F236-I251 HydrophobicContact CD1-CD1 4.38Å; F236-I251 HydrophobicContact CD1-CG1 4.31Å; F236-I251 HydrophobicContact CD1-CG2 3.48Å; F236-I251 VanDerWaalsContact CD1-CG2 3.48Å; F236-I251 HydrophobicContact CD2-CG2 3.69Å; F236-I251 HydrophobicContact CE1-CG1 4.29Å; F236-I251 HydrophobicContact CE1-CG2 3.87Å; F236-I251 HydrophobicContact CE2-CG2 4.05Å; F236-I251 HydrophobicContact CG-CG2 3.39Å; F236-I251 HydrophobicContact CZ-CG2 4.14Å; F236-L255 HydrophobicContact CD2-CD1 4.42Å; F236-L255 HydrophobicContact CD2-CD2 4.45Å; F236-L255 HydrophobicContact CE2-CB 4.36Å; F236-L255 HydrophobicContact CE2-CD1 4.46Å; F236-L293 HydrophobicContact CB-CD2 3.73Å
237	A	89.6	Confident	83.1	Confident	37 Å²	37	42.7 Å²	42.7	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-45.8	176.5	0	0	0	0	0	111.6	L233 Q234 F235 S239 F240 S241 L293	L233-A237 WeakPolarHBondContact O-CB 3.23Å; L233-A237 PolarHBondContact O-N 3.3Å; Q234-A237 PolarHBondContact O-N 2.87Å; F235-A237 PolarHBondContact O-N 3.4Å; A237-S239 PolarHBondContact O-N 3.03Å; A237-F240 PolarHBondContact O-N 3.28Å; A237-S241 PolarHBondContact O-N 3.45Å; A237-S241 PolarHBondContact O-OG 3.44Å; A237-L293 HydrophobicContact CB-CD1 3.68Å
238	K	85.5	Confident	83.2	Confident	74 Å²	74	38.3 Å²	38.3	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-46.3	175.3	-172.6	178.1	-177.1	-175	0	110.9	C199 A201 P203 Q234 F235 F240 S241 S242	C199-K238 PolarHBondContact O-NZ 3.37Å; A201-K238 PolarHBondContact O-NZ 3.23Å; P203-K238 HydrophobicContact CG-CD 4.43Å; P203-K238 HydrophobicContact CG-CG 4.14Å; Q234-K238 PolarHBondContact O-N 3.09Å; F235-K238 PolarHBondContact O-N 2.83Å; K238-F240 PolarHBondContact O-N 3.5Å; K238-S241 PolarHBondContact O-N 3.23Å; K238-S242 PolarHBondContact O-N 3.22Å; K238-S242 PolarHBondContact O-OG 2.66Å
239	S	84.1	Confident	83.2	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-41.2	178.2	-63.9	0	0	0	0	112.8	F235 F236 A237 S241 S242 S243 I251	F235-S239 PolarHBondContact O-N 3Å; F235-S239 PolarHBondContact O-OG 2.89Å; F236-S239 PolarHBondContact O-N 3.42Å; A237-S239 PolarHBondContact O-N 3.03Å; S239-S241 PolarHBondContact O-N 3.15Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 VanDerWaalsContact O-N 3.15Å; S239-S243 VanDerWaalsContact CA-OG 3.28Å; S239-S243 WeakPolarHBondContact CA-OG 3.28Å; S239-S243 WeakPolarHBondContact CB-OG 3.44Å; S239-S243 WeakPolarHBondContact O-CB 3.09Å; S239-S243 PolarHBondContact O-N 3.4Å; S239-S243 PolarHBondContact O-OG 3.33Å; S239-I251 VanDerWaalsContact CB-CD1 3.41Å
240	F	86.2	Confident	83.2	Confident	22 Å²	22	42.7 Å²	42.7	10%	0.096	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-30.9	177.9	-72.9	-33.4	0	0	0	113.7	F236 A237 K238 T248 I251 Y252 L255 L293 F297	F236-F240 WeakPolarHBondContact O-CD2 3.35Å; F236-F240 WeakPolarHBondContact O-CG 3.13Å; F236-F240 PolarHBondContact O-N 2.8Å; A237-F240 PolarHBondContact O-N 3.28Å; K238-F240 PolarHBondContact O-N 3.5Å; F240-T248 HydrophobicContact CD1-CG2 3.73Å; F240-T248 HydrophobicContact CE1-CG2 4.17Å; F240-I251 HydrophobicContact CE1-CB 4.13Å; F240-I251 HydrophobicContact CE1-CG2 3.73Å; F240-I251 HydrophobicContact CE2-CG2 4.48Å; F240-I251 HydrophobicContact CZ-CG2 3.7Å; F240-Y252 HydrophobicContact CE1-CD2 4.34Å; F240-Y252 AromaticContact CZ-CD2 3.97Å; F240-Y252 HydrophobicContact CZ-CD2 3.97Å; F240-L255 HydrophobicContact CE2-CD2 4.45Å; F240-L293 HydrophobicContact CD2-CD1 4.08Å; F240-L293 HydrophobicContact CD2-CD2 4.45Å; F240-L293 HydrophobicContact CD2-CG 4.15Å; F240-L293 HydrophobicContact CE2-CD1 4.35Å; F240-L293 HydrophobicContact CE2-CD2 4.09Å; F240-L293 HydrophobicContact CE2-CG 3.9Å; F240-F297 HydrophobicContact CB-CD2 3.84Å; F240-F297 HydrophobicContact CB-CE2 4.25Å; F240-F297 AromaticContact CD1-CD2 3.83Å; F240-F297 HydrophobicContact CD1-CD2 3.83Å; F240-F297 AromaticContact CD1-CE2 3.86Å; F240-F297 HydrophobicContact CD1-CE2 3.86Å; F240-F297 HydrophobicContact CD1-CG 4.37Å; F240-F297 HydrophobicContact CD1-CZ 4.44Å; F240-F297 HydrophobicContact CD2-CB 4.2Å; F240-F297 HydrophobicContact CD2-CD2 4.19Å; F240-F297 HydrophobicContact CD2-CG 4.35Å; F240-F297 HydrophobicContact CE1-CD2 4.4Å; F240-F297 HydrophobicContact CE1-CE2 4.45Å; F240-F297 HydrophobicContact CE2-CB 4.36Å; F240-F297 AromaticContact CG-CD2 3.7Å; F240-F297 HydrophobicContact CG-CD2 3.7Å; F240-F297 HydrophobicContact CG-CE2 4.15Å; F240-F297 HydrophobicContact CG-CG 4.27Å
241	S	78.9	Confident	83.2	Confident	102 Å²	102	38 Å²	38	71%	0.713	21%	0.211	S	C	*	.	H	α-helix	trans	-82.5	-13.2	179	-53.2	0	0	0	0	114.5	A237 K238 S239	A237-S241 PolarHBondContact O-N 3.45Å; A237-S241 PolarHBondContact O-OG 3.44Å; K238-S241 PolarHBondContact O-N 3.23Å; S239-S241 PolarHBondContact O-N 3.15Å
242	S	72	Confident	83.4	Confident	58 Å²	58	36.2 Å²	36.2	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-150	-4.6	-160.5	58.7	0	0	0	0	116.1	P203 K238 S239	P203-S242 WeakPolarHBondContact CB-OG 3.19Å; P203-S242 WeakPolarHBondContact CG-OG 3.46Å; K238-S242 PolarHBondContact O-N 3.22Å; K238-S242 PolarHBondContact O-OG 2.66Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 VanDerWaalsContact O-N 3.15Å
243	S	66.3	Low	83.5	Confident	17 Å²	17	37.4 Å²	37.4	12%	0.119	21%	0.208	C	C	.	.			trans	-100.4	147.4	-177.4	-61.9	0	0	0	0	113.8	S239 T248	S239-S243 VanDerWaalsContact CA-OG 3.28Å; S239-S243 WeakPolarHBondContact CA-OG 3.28Å; S239-S243 WeakPolarHBondContact CB-OG 3.44Å; S239-S243 WeakPolarHBondContact O-CB 3.09Å; S239-S243 PolarHBondContact O-N 3.4Å; S239-S243 PolarHBondContact O-OG 3.33Å; S243-T248 PolarHBondContact O-OG1 3.12Å; S243-T248 VanDerWaalsContact O-OG1 3.07Å
244	P	68.2	Low	83.5	Confident	54 Å²	54	37.2 Å²	37.2	35%	0.351	21%	0.208	S	C	.	.			trans	-58	162.5	168.3	-1.5	-10.1	0	0	0	114.9	L207 N246 V247 T248	L207-P244 HydrophobicContact CB-CG 3.98Å; L207-P244 HydrophobicContact CD1-CG 3.3Å; L207-P244 HydrophobicContact CD2-CG 3.64Å; L207-P244 HydrophobicContact CG-CG 3.74Å; P244-N246 PolarHBondContact O-N 2.8Å; P244-V247 PolarHBondContact O-N 3.08Å; P244-T248 PolarHBondContact O-N 3.4Å; P244-T248 PolarHBondContact O-OG1 3.15Å; P244-T248 VanDerWaalsContact O-OG1 3.1Å
245	L	70.1	Confident	83.7	Confident	58 Å²	58	31.5 Å²	31.5	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-62.4	-42.3	-162	-51.6	174.7	0	0	0	114.2	V247 R249 H308 Y312	L245-V247 VanDerWaalsContact C-N 3.35Å; L245-V247 PolarHBondContact O-N 3.2Å; L245-R249 WeakPolarHBondContact O-CB 3.34Å; L245-R249 PolarHBondContact O-N 3.38Å; L245-H308 HydrophobicContact CD1-CB 4.27Å; L245-H308 WeakPolarHBondContact CD1-ND1 3.46Å; L245-H308 WeakPolarHBondContact CD2-CE1 3.27Å; L245-H308 VanDerWaalsContact CD2-ND1 3.28Å; L245-H308 WeakPolarHBondContact CD2-ND1 3.44Å; L245-H308 WeakPolarHBondContact CD2-NE2 3.4Å; L245-Y312 HydrophobicContact CB-CD2 4.21Å; L245-Y312 HydrophobicContact CB-CE2 4.22Å; L245-Y312 VanDerWaalsContact O-CE2 3.27Å; L245-Y312 WeakPolarHBondContact O-CE2 3.48Å
246	N	73.3	Confident	84	Confident	85 Å²	85	31.2 Å²	31.2	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-42.3	-179.8	59.6	-37.4	0	0	0	111.6	P244 E250	P244-N246 PolarHBondContact O-N 2.8Å; N246-E250 VanDerWaalsContact O-CG 3.31Å; N246-E250 WeakPolarHBondContact O-CG 3.47Å; N246-E250 PolarHBondContact O-N 2.84Å; N246-E250 VanDerWaalsContact O-N 3.15Å
247	V	79.5	Confident	84.1	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-70.4	-48.2	179.3	175.6	0	0	0	0	110.4	L207 W212 P244 L245 R249 E250 I251	L207-V247 HydrophobicContact CD2-CB 4.07Å; L207-V247 HydrophobicContact CD2-CG1 4.18Å; L207-V247 HydrophobicContact CD2-CG2 3.84Å; W212-V247 HydrophobicContact CH2-CG1 3.76Å; W212-V247 HydrophobicContact CZ2-CG1 3.81Å; W212-V247 HydrophobicContact CZ3-CG1 4.19Å; P244-V247 PolarHBondContact O-N 3.08Å; L245-V247 VanDerWaalsContact C-N 3.35Å; L245-V247 PolarHBondContact O-N 3.2Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.45Å; V247-E250 PolarHBondContact O-N 3.32Å; V247-E250 VanDerWaalsContact O-N 3.11Å; V247-I251 HydrophobicContact CG1-CD1 3.73Å; V247-I251 HydrophobicContact CG1-CG1 4.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.31Å; V247-I251 PolarHBondContact O-N 2.93Å
248	T	85.1	Confident	84.1	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-55.9	-44.4	177	-59.7	0	0	0	0	111.8	F240 S243 P244 Y252 F297 Y312	F240-T248 HydrophobicContact CD1-CG2 3.73Å; F240-T248 HydrophobicContact CE1-CG2 4.17Å; S243-T248 PolarHBondContact O-OG1 3.12Å; S243-T248 VanDerWaalsContact O-OG1 3.07Å; P244-T248 PolarHBondContact O-N 3.4Å; P244-T248 PolarHBondContact O-OG1 3.15Å; P244-T248 VanDerWaalsContact O-OG1 3.1Å; T248-Y252 VanDerWaalsContact O-CB 3.31Å; T248-Y252 WeakPolarHBondContact O-CB 3.25Å; T248-Y252 PolarHBondContact O-N 2.93Å; T248-F297 HydrophobicContact CG2-CE2 3.68Å; T248-F297 HydrophobicContact CG2-CZ 3.61Å; T248-Y312 WeakPolarHBondContact CG2-OH 3.48Å
249	R	88	Confident	84.5	Confident	65 Å²	65	32.8 Å²	32.8	25%	0.245	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-46	174.8	-175.7	-167	76.3	136.4	-6.6	113	L245 V247 Y252 T253 Y312 E315	L245-R249 WeakPolarHBondContact O-CB 3.34Å; L245-R249 PolarHBondContact O-N 3.38Å; V247-R249 VanDerWaalsContact C-N 3.31Å; V247-R249 PolarHBondContact O-N 3.45Å; R249-Y252 PolarHBondContact O-N 3.12Å; R249-T253 WeakPolarHBondContact O-CB 3.48Å; R249-T253 VanDerWaalsContact O-CG2 3.31Å; R249-T253 WeakPolarHBondContact O-CG2 3.36Å; R249-T253 PolarHBondContact O-N 3.06Å; R249-T253 PolarHBondContact O-OG1 3.12Å; R249-Y312 HydrophobicContact CB-CD2 3.85Å; R249-Y312 HydrophobicContact CB-CE2 3.7Å; R249-Y312 HydrophobicContact CG-CD2 4.18Å; R249-Y312 HydrophobicContact CG-CE2 4.4Å; R249-E315 WeakPolarHBondContact CD-OE2 3.47Å; R249-E315 IonicContact CZ-OE2 3.55Å; R249-E315 IonicContact NE-OE2 2.83Å; R249-E315 IonicContact NH1-OE1 2.68Å; R249-E315 PolarHBondContact NH1-OE1 3.19Å; R249-E315 IonicContact NH1-OE2 3.67Å; R249-E315 PolarHBondContact NH1-OE2 2.95Å
250	E	88.8	Confident	84.8	Confident	34 Å²	34	34.5 Å²	34.5	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-36.6	-177.7	-74.1	-176	-164.9	0	0	112.6	W212 R216 N246 V247 T253 S254	W212-E250 VanDerWaalsContact CD1-OE2 3.32Å; W212-E250 HydrophobicContact CZ2-CB 4.44Å; W212-E250 PolarHBondContact NE1-OE2 3.08Å; R216-E250 IonicContact CZ-OE2 3.74Å; R216-E250 IonicContact NH1-OE1 3.63Å; R216-E250 IonicContact NH1-OE2 3.48Å; R216-E250 PolarHBondContact NH1-OE2 3.45Å; N246-E250 VanDerWaalsContact O-CG 3.31Å; N246-E250 WeakPolarHBondContact O-CG 3.47Å; N246-E250 PolarHBondContact O-N 2.84Å; N246-E250 VanDerWaalsContact O-N 3.15Å; V247-E250 PolarHBondContact O-N 3.32Å; V247-E250 VanDerWaalsContact O-N 3.11Å; E250-T253 WeakPolarHBondContact CA-OG1 3.18Å; E250-T253 PolarHBondContact O-OG1 3.38Å; E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.97Å; E250-S254 PolarHBondContact O-OG 3.47Å
251	I	90.4	Very high	84.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-49.9	171	-68.8	172.4	0	0	0	109.6	W212 F236 S239 F240 V247 S254 L255	W212-I251 HydrophobicContact CH2-CD1 3.87Å; W212-I251 HydrophobicContact CH2-CG1 3.62Å; W212-I251 HydrophobicContact CZ2-CD1 4.4Å; W212-I251 HydrophobicContact CZ2-CG1 3.8Å; F236-I251 HydrophobicContact CB-CG2 3.82Å; F236-I251 HydrophobicContact CD1-CD1 4.38Å; F236-I251 HydrophobicContact CD1-CG1 4.31Å; F236-I251 HydrophobicContact CD1-CG2 3.48Å; F236-I251 VanDerWaalsContact CD1-CG2 3.48Å; F236-I251 HydrophobicContact CD2-CG2 3.69Å; F236-I251 HydrophobicContact CE1-CG1 4.29Å; F236-I251 HydrophobicContact CE1-CG2 3.87Å; F236-I251 HydrophobicContact CE2-CG2 4.05Å; F236-I251 HydrophobicContact CG-CG2 3.39Å; F236-I251 HydrophobicContact CZ-CG2 4.14Å; S239-I251 VanDerWaalsContact CB-CD1 3.41Å; F240-I251 HydrophobicContact CE1-CB 4.13Å; F240-I251 HydrophobicContact CE1-CG2 3.73Å; F240-I251 HydrophobicContact CE2-CG2 4.48Å; F240-I251 HydrophobicContact CZ-CG2 3.7Å; V247-I251 HydrophobicContact CG1-CD1 3.73Å; V247-I251 HydrophobicContact CG1-CG1 4.31Å; V247-I251 WeakPolarHBondContact O-CG1 3.31Å; V247-I251 PolarHBondContact O-N 2.93Å; I251-S254 PolarHBondContact O-N 3.16Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; I251-L255 PolarHBondContact O-N 3.46Å
252	Y	93.6	Very high	85.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-50.8	-178.5	-171.8	-89.7	0	0	0	112.6	F240 T248 R249 S254 L255 A256 M294 F297 Q298 I316 T320	F240-Y252 HydrophobicContact CE1-CD2 4.34Å; F240-Y252 AromaticContact CZ-CD2 3.97Å; F240-Y252 HydrophobicContact CZ-CD2 3.97Å; T248-Y252 VanDerWaalsContact O-CB 3.31Å; T248-Y252 WeakPolarHBondContact O-CB 3.25Å; T248-Y252 PolarHBondContact O-N 2.93Å; R249-Y252 PolarHBondContact O-N 3.12Å; Y252-S254 VanDerWaalsContact C-N 3.29Å; Y252-S254 PolarHBondContact O-N 2.83Å; Y252-L255 WeakPolarHBondContact O-CB 3.39Å; Y252-L255 PolarHBondContact O-N 3.27Å; Y252-A256 PolarHBondContact O-N 3Å; Y252-M294 HydrophobicContact CE1-CE 3.96Å; Y252-M294 HydrophobicContact CE2-CB 4.18Å; Y252-M294 HydrophobicContact CE2-CE 4.16Å; Y252-M294 HydrophobicContact CE2-CG 4.16Å; Y252-M294 VanDerWaalsContact OH-CE 3.32Å; Y252-M294 WeakPolarHBondContact OH-CE 3.3Å; Y252-F297 AromaticContact CD2-CD1 3.39Å; Y252-F297 HydrophobicContact CD2-CD1 3.39Å; Y252-F297 AromaticContact CD2-CE1 3.69Å; Y252-F297 HydrophobicContact CD2-CE1 3.69Å; Y252-F297 HydrophobicContact CD2-CG 4.25Å; Y252-F297 AromaticContact CE2-CD1 3.47Å; Y252-F297 HydrophobicContact CE2-CD1 3.47Å; Y252-F297 VanDerWaalsContact CE2-CD1 3.47Å; Y252-F297 HydrophobicContact CE2-CE1 4.07Å; Y252-F297 HydrophobicContact CE2-CG 4.39Å; Y252-F297 HydrophobicContact CG-CD1 4.39Å; Y252-F297 HydrophobicContact CG-CE1 4.29Å; Y252-Q298 HydrophobicContact CE2-CG 4.41Å; Y252-Q298 VanDerWaalsContact OH-CG 3.29Å; Y252-Q298 WeakPolarHBondContact OH-CG 3.49Å; Y252-Q298 PolarHBondContact OH-NE2 3.17Å; Y252-I316 HydrophobicContact CD1-CB 4.49Å; Y252-I316 HydrophobicContact CD1-CD1 3.49Å; Y252-I316 VanDerWaalsContact CD1-CD1 3.49Å; Y252-I316 HydrophobicContact CD1-CG2 4.05Å; Y252-I316 HydrophobicContact CD2-CD1 4.47Å; Y252-I316 HydrophobicContact CE1-CD1 4.32Å; Y252-I316 HydrophobicContact CE1-CG2 3.8Å; Y252-I316 HydrophobicContact CG-CD1 3.59Å; Y252-T320 PolarHBondContact OH-OG1 3.18Å
253	T	92.7	Very high	86.1	Confident	24 Å²	24	29.8 Å²	29.8	15%	0.147	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-32.4	179.1	52.7	0	0	0	0	112.2	R249 E250 K257	R249-T253 WeakPolarHBondContact O-CB 3.48Å; R249-T253 VanDerWaalsContact O-CG2 3.31Å; R249-T253 WeakPolarHBondContact O-CG2 3.36Å; R249-T253 PolarHBondContact O-N 3.06Å; R249-T253 PolarHBondContact O-OG1 3.12Å; E250-T253 WeakPolarHBondContact CA-OG1 3.18Å; E250-T253 PolarHBondContact O-OG1 3.38Å; T253-K257 WeakPolarHBondContact O-CB 3.34Å; T253-K257 VanDerWaalsContact O-CG 3.28Å; T253-K257 WeakPolarHBondContact O-CG 3.43Å; T253-K257 PolarHBondContact O-N 3.36Å
254	S	92.3	Very high	86.9	Confident	13 Å²	13	34 Å²	34	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-40.9	174	-61.5	0	0	0	0	112.1	R216 E250 I251 Y252 K257 S258	R216-S254 WeakPolarHBondContact CD-OG 3.45Å; E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.97Å; E250-S254 PolarHBondContact O-OG 3.47Å; I251-S254 PolarHBondContact O-N 3.16Å; Y252-S254 VanDerWaalsContact C-N 3.29Å; Y252-S254 PolarHBondContact O-N 2.83Å; S254-K257 PolarHBondContact O-N 2.96Å; S254-S258 WeakPolarHBondContact O-CB 3.38Å; S254-S258 PolarHBondContact O-N 3.39Å
255	L	94.4	Very high	87.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-177.6	57.6	0	0	0	111.3	L223 L233 F236 F240 I251 Y252 S258 L259 Q290 L293 M294	L223-L255 HydrophobicContact CD2-CD1 3.78Å; L233-L255 HydrophobicContact CD2-CD1 4.24Å; F236-L255 HydrophobicContact CD2-CD1 4.42Å; F236-L255 HydrophobicContact CD2-CD2 4.45Å; F236-L255 HydrophobicContact CE2-CB 4.36Å; F236-L255 HydrophobicContact CE2-CD1 4.46Å; F240-L255 HydrophobicContact CE2-CD2 4.45Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; I251-L255 PolarHBondContact O-N 3.46Å; Y252-L255 WeakPolarHBondContact O-CB 3.39Å; Y252-L255 PolarHBondContact O-N 3.27Å; L255-S258 WeakPolarHBondContact O-CB 3.31Å; L255-S258 PolarHBondContact O-N 3.12Å; L255-L259 PolarHBondContact O-N 3.38Å; L255-L259 VanDerWaalsContact O-N 3.09Å; L255-Q290 HydrophobicContact CD1-CB 3.88Å; L255-Q290 HydrophobicContact CD1-CG 3.82Å; L255-L293 HydrophobicContact CD2-CB 4.49Å; L255-L293 HydrophobicContact CD2-CD2 4.14Å; L255-L293 HydrophobicContact CD2-CG 4.37Å; L255-M294 HydrophobicContact CB-CG 4.48Å; L255-M294 HydrophobicContact CD2-CG 3.38Å; L255-M294 HydrophobicContact CD2-SD 4.36Å; L255-M294 HydrophobicContact CG-CG 3.68Å; L255-M294 HydrophobicContact CG-SD 3.98Å
256	A	94.6	Very high	87.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-46.9	175.3	0	0	0	0	0	112.3	Y252 S258 L259 E260 M294 S319	Y252-A256 PolarHBondContact O-N 3Å; A256-S258 VanDerWaalsContact C-N 3.33Å; A256-S258 PolarHBondContact O-N 3.29Å; A256-L259 WeakPolarHBondContact O-CB 3.48Å; A256-L259 PolarHBondContact O-N 3.17Å; A256-E260 WeakPolarHBondContact O-CG 3.45Å; A256-E260 PolarHBondContact O-N 3.14Å; A256-M294 HydrophobicContact CB-CE 3.71Å; A256-M294 HydrophobicContact CB-SD 4.23Å; A256-S319 WeakPolarHBondContact CB-OG 3.15Å
257	K	91.8	Very high	87.2	Confident	130 Å²	130	39.6 Å²	39.6	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-63.4	-36.4	177.4	-74.6	176.3	-178.1	-179.5	0	113.2	T253 S254 L259 E260 S261	T253-K257 WeakPolarHBondContact O-CB 3.34Å; T253-K257 VanDerWaalsContact O-CG 3.28Å; T253-K257 WeakPolarHBondContact O-CG 3.43Å; T253-K257 PolarHBondContact O-N 3.36Å; S254-K257 PolarHBondContact O-N 2.96Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-E260 PolarHBondContact O-N 2.88Å; K257-S261 WeakPolarHBondContact O-CB 3.34Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.36Å
258	S	91.4	Very high	87	Confident	15 Å²	15	40.6 Å²	40.6	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-45	173.5	169.2	0	0	0	0	110.8	L223 S254 L255 A256 S261 A262 Q290	L223-S258 WeakPolarHBondContact CD2-OG 3.36Å; S254-S258 WeakPolarHBondContact O-CB 3.38Å; S254-S258 PolarHBondContact O-N 3.39Å; L255-S258 WeakPolarHBondContact O-CB 3.31Å; L255-S258 PolarHBondContact O-N 3.12Å; A256-S258 VanDerWaalsContact C-N 3.33Å; A256-S258 PolarHBondContact O-N 3.29Å; S258-S261 PolarHBondContact O-N 2.81Å; S258-A262 WeakPolarHBondContact O-CB 3.27Å; S258-A262 PolarHBondContact O-N 3.48Å; S258-Q290 PolarHBondContact OG-OE1 3.33Å
259	L	92.4	Very high	86.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-49.2	175	-75.1	169.4	0	0	0	112	L255 A256 K257 S261 A262 F263 L287 Q290 I291 M294 L323	L255-L259 PolarHBondContact O-N 3.38Å; L255-L259 VanDerWaalsContact O-N 3.09Å; A256-L259 WeakPolarHBondContact O-CB 3.48Å; A256-L259 PolarHBondContact O-N 3.17Å; K257-L259 VanDerWaalsContact C-N 3.34Å; L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 3.08Å; L259-A262 WeakPolarHBondContact O-CB 3.33Å; L259-A262 PolarHBondContact O-N 2.9Å; L259-F263 HydrophobicContact CD2-CE2 4.5Å; L259-F263 VanDerWaalsContact O-CD2 3.28Å; L259-F263 WeakPolarHBondContact O-CD2 3.36Å; L259-F263 PolarHBondContact O-N 3.31Å; L259-L287 HydrophobicContact CD2-CD2 3.68Å; L259-Q290 HydrophobicContact CD1-CB 4.21Å; L259-Q290 HydrophobicContact CD2-CB 3.71Å; L259-Q290 HydrophobicContact CG-CB 4.1Å; L259-I291 HydrophobicContact CD1-CG1 3.68Å; L259-I291 HydrophobicContact CD2-CD1 4.45Å; L259-I291 HydrophobicContact CD2-CG1 3.93Å; L259-I291 HydrophobicContact CG-CG1 4.47Å; L259-M294 HydrophobicContact CD1-SD 3.4Å; L259-M294 WeakPolarHBondContact CD1-SD 3.36Å; L259-L323 HydrophobicContact CB-CD1 3.8Å; L259-L323 HydrophobicContact CB-CD2 4.31Å; L259-L323 HydrophobicContact CD1-CD2 3.88Å
260	E	90.3	Very high	85.6	Confident	39 Å²	39	42.8 Å²	42.8	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-53	-47.1	175.9	-70.9	176.1	176.7	0	0	111.3	A256 K257 A262 F263 L264 C322 L323	A256-E260 WeakPolarHBondContact O-CG 3.45Å; A256-E260 PolarHBondContact O-N 3.14Å; K257-E260 PolarHBondContact O-N 2.88Å; E260-A262 VanDerWaalsContact C-N 3.34Å; E260-A262 PolarHBondContact O-N 2.91Å; E260-F263 PolarHBondContact O-N 2.9Å; E260-L264 WeakPolarHBondContact O-CG 3.48Å; E260-L264 PolarHBondContact O-N 3.1Å; E260-C322 PolarHBondContact OE1-SG 2.91Å; E260-L323 HydrophobicContact CG-CB 4.28Å; E260-L323 HydrophobicContact CG-CD1 3.65Å; E260-L323 WeakPolarHBondContact OE1-CA 3.48Å; E260-L323 PolarHBondContact OE1-N 2.93Å
261	S	88.8	Confident	84.7	Confident	69 Å²	69	41.5 Å²	41.5	48%	0.483	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-37.6	178.1	-56.5	0	0	0	0	112.3	K257 S258 L259 L264 S265	K257-S261 WeakPolarHBondContact O-CB 3.34Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.36Å; S258-S261 PolarHBondContact O-N 2.81Å; L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 3.08Å; S261-L264 PolarHBondContact O-N 3.07Å; S261-S265 WeakPolarHBondContact O-CB 3.12Å; S261-S265 PolarHBondContact O-N 3.48Å; S261-S265 PolarHBondContact O-OG 3.33Å
262	A	88.2	Confident	83.6	Confident	10 Å²	10	45.4 Å²	45.4	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-43.8	176.2	0	0	0	0	0	111.6	S258 L259 E260 S265 Q266 L287	S258-A262 WeakPolarHBondContact O-CB 3.27Å; S258-A262 PolarHBondContact O-N 3.48Å; L259-A262 WeakPolarHBondContact O-CB 3.33Å; L259-A262 PolarHBondContact O-N 2.9Å; E260-A262 VanDerWaalsContact C-N 3.34Å; E260-A262 PolarHBondContact O-N 2.91Å; A262-S265 PolarHBondContact O-N 3.3Å; A262-S265 PolarHBondContact O-OG 2.91Å; A262-Q266 WeakPolarHBondContact O-CB 3.5Å; A262-Q266 VanDerWaalsContact O-CG 3.26Å; A262-Q266 WeakPolarHBondContact O-CG 3.29Å; A262-Q266 PolarHBondContact O-N 3.36Å; A262-L287 HydrophobicContact CB-CD2 3.76Å
263	F	87.4	Confident	81.8	Confident	5 Å²	5	57.1 Å²	57.1	2%	0.022	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-35	176.8	-82	-84.2	0	0	0	112.8	L259 E260 L268 L287 I291 F326 L339 P341 L344	L259-F263 HydrophobicContact CD2-CE2 4.5Å; L259-F263 VanDerWaalsContact O-CD2 3.28Å; L259-F263 WeakPolarHBondContact O-CD2 3.36Å; L259-F263 PolarHBondContact O-N 3.31Å; E260-F263 PolarHBondContact O-N 2.9Å; F263-L268 HydrophobicContact CD1-CD1 4.36Å; F263-L268 HydrophobicContact CE1-CD1 4.11Å; F263-L287 HydrophobicContact CE2-CD1 4.33Å; F263-L287 HydrophobicContact CE2-CD2 4.35Å; F263-L287 HydrophobicContact CZ-CD1 4.19Å; F263-I291 HydrophobicContact CE2-CD1 4.33Å; F263-I291 HydrophobicContact CZ-CD1 4.47Å; F263-F326 HydrophobicContact CB-CD1 4.3Å; F263-F326 HydrophobicContact CB-CE1 3.85Å; F263-F326 HydrophobicContact CB-CZ 4.03Å; F263-L339 WeakPolarHBondContact CD1-O 3.48Å; F263-L339 VanDerWaalsContact CE1-O 3.24Å; F263-L339 WeakPolarHBondContact CE1-O 3.33Å; F263-P341 HydrophobicContact CD1-CG 4.3Å; F263-P341 HydrophobicContact CD2-CB 4.48Å; F263-P341 HydrophobicContact CD2-CG 3.7Å; F263-P341 HydrophobicContact CE1-CG 4.37Å; F263-P341 HydrophobicContact CE2-CB 4.11Å; F263-P341 HydrophobicContact CE2-CG 3.79Å; F263-P341 HydrophobicContact CG-CG 3.97Å; F263-P341 HydrophobicContact CZ-CB 4.31Å; F263-P341 HydrophobicContact CZ-CG 4.13Å; F263-L344 HydrophobicContact CZ-CD1 3.84Å; F263-L344 HydrophobicContact CZ-CG 4.4Å
264	L	83.9	Confident	80.1	Confident	104 Å²	104	61.9 Å²	61.9	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-46	173.5	-76.9	168.7	0	0	0	112.9	E260 S261 F326	E260-L264 WeakPolarHBondContact O-CG 3.48Å; E260-L264 PolarHBondContact O-N 3.1Å; S261-L264 PolarHBondContact O-N 3.07Å; L264-F326 HydrophobicContact CD1-CE2 4.43Å; L264-F326 HydrophobicContact CD2-CE2 3.49Å; L264-F326 VanDerWaalsContact CD2-CE2 3.49Å; L264-F326 HydrophobicContact CD2-CZ 3.75Å; L264-F326 HydrophobicContact CG-CE2 3.55Å; L264-F326 HydrophobicContact CG-CZ 3.93Å
265	S	80.3	Confident	78.9	Confident	88 Å²	88	63.5 Å²	63.5	62%	0.615	33%	0.332	S	S	*	.	H	α-helix	trans	-77.9	-33.7	-173.5	53.8	0	0	0	0	113.3	S261 A262	S261-S265 WeakPolarHBondContact O-CB 3.12Å; S261-S265 PolarHBondContact O-N 3.48Å; S261-S265 PolarHBondContact O-OG 3.33Å; A262-S265 PolarHBondContact O-N 3.3Å; A262-S265 PolarHBondContact O-OG 2.91Å
266	Q	70.5	Confident	78.2	Confident	54 Å²	54	65.7 Å²	65.7	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-94.7	-5.7	-165.4	-67.4	163.7	20.7	0	0	114.6	A262 L268 Q283	A262-Q266 WeakPolarHBondContact O-CB 3.5Å; A262-Q266 VanDerWaalsContact O-CG 3.26Å; A262-Q266 WeakPolarHBondContact O-CG 3.29Å; A262-Q266 PolarHBondContact O-N 3.36Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 HydrophobicContact CB-CG 4.31Å; Q266-L268 PolarHBondContact O-N 3Å; Q266-L268 VanDerWaalsContact O-N 3.11Å; Q266-Q283 VanDerWaalsContact CB-NE2 3.35Å; Q266-Q283 VanDerWaalsContact CD-NE2 3.26Å
267	R	66.6	Low	77.6	Confident	173 Å²	173	66.4 Å²	66.4	65%	0.653	36%	0.355	S	S	*	.			trans	31.7	61.3	-178.4	-71.5	-166.3	179.5	-178.5	3.1	112.5	N269	R267-N269 PolarHBondContact O-N 3.17Å; R267-N269 PolarHBondContact O-OD1 3.42Å
268	L	74.8	Confident	77.3	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.131	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.7	116.1	179.5	-68.2	172.6	0	0	0	109.1	F263 Q266 I284 L287 L339	F263-L268 HydrophobicContact CD1-CD1 4.36Å; F263-L268 HydrophobicContact CE1-CD1 4.11Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 HydrophobicContact CB-CG 4.31Å; Q266-L268 PolarHBondContact O-N 3Å; Q266-L268 VanDerWaalsContact O-N 3.11Å; L268-I284 HydrophobicContact CD1-CD1 4.03Å; L268-I284 HydrophobicContact CD2-CD1 4.3Å; L268-L287 HydrophobicContact CD1-CD1 3.54Å; L268-L339 HydrophobicContact CB-CB 3.9Å; L268-L339 HydrophobicContact CB-CD2 4.29Å; L268-L339 HydrophobicContact CD1-CD2 4.24Å; L268-L339 PolarHBondContact O-N 2.98Å
269	N	72	Confident	77	Confident	104 Å²	104	64.8 Å²	64.8	56%	0.556	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-73.2	135.9	179.1	-69	-20.6	0	0	0	110.2	R267	R267-N269 PolarHBondContact O-N 3.17Å; R267-N269 PolarHBondContact O-OD1 3.42Å
270	F	72.5	Confident	76.7	Confident	10 Å²	10	68.6 Å²	68.6	4%	0.044	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.4	137.9	170.1	-160.3	-107.5	0	0	0	108.7	T272 K337 L339 H343 R422 L425 E426	F270-T272 PolarHBondContact O-N 3.32Å; F270-K337 WeakPolarHBondContact CA-O 3.36Å; F270-K337 VanDerWaalsContact CB-C 3.43Å; F270-K337 HydrophobicContact CB-CB 3.7Å; F270-K337 WeakPolarHBondContact CB-O 3.44Å; F270-K337 HydrophobicContact CD1-CB 4.12Å; F270-K337 HydrophobicContact CD1-CD 4.32Å; F270-K337 HydrophobicContact CG-CB 4.05Å; F270-K337 PolarHBondContact N-O 3.28Å; F270-L339 HydrophobicContact CD2-CD1 3.99Å; F270-L339 HydrophobicContact CE2-CD1 4.21Å; F270-H343 AromaticContact CE2-CD2 3.49Å; F270-H343 VanDerWaalsContact CE2-CD2 3.49Å; F270-H343 WeakPolarHBondContact CE2-CD2 3.39Å; F270-H343 AromaticContact CE2-CE1 3.95Å; F270-H343 AromaticContact CE2-CG 3.88Å; F270-H343 AromaticContact CE2-NE2 3.52Å; F270-R422 HydrophobicContact CD1-CG 4.07Å; F270-R422 HydrophobicContact CE1-CG 3.55Å; F270-R422 HydrophobicContact CZ-CG 4.48Å; F270-L425 HydrophobicContact CE2-CB 4.23Å; F270-L425 HydrophobicContact CE2-CD1 4.08Å; F270-L425 HydrophobicContact CZ-CB 4.02Å; F270-L425 HydrophobicContact CZ-CD1 4.4Å; F270-E426 HydrophobicContact CE1-CG 3.93Å; F270-E426 HydrophobicContact CZ-CG 3.9Å
271	P	70.1	Confident	76.5	Confident	7 Å²	7	68.6 Å²	68.6	5%	0.045	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-55.5	129.2	-177	15.9	-28.9	0	0	0	112.9	A275 V277 R422 L425	P271-A275 HydrophobicContact CB-CB 4.38Å; P271-A275 WeakPolarHBondContact CB-O 3.08Å; P271-V277 HydrophobicContact CB-CG2 4.49Å; P271-V277 HydrophobicContact CG-CG2 3.86Å; P271-R422 HydrophobicContact CB-CB 4.28Å; P271-R422 HydrophobicContact CG-CB 4.16Å; P271-R422 VanDerWaalsContact O-CD 3.3Å; P271-R422 WeakPolarHBondContact O-CD 3.42Å; P271-R422 WeakPolarHBondContact O-CG 3.48Å; P271-L425 HydrophobicContact CG-CD1 3.61Å
272	T	67	Low	76.3	Confident	84 Å²	84	70.3 Å²	70.3	52%	0.515	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-74.5	168	169.4	-48.5	0	0	0	0	110	F270 S274 A275	F270-T272 PolarHBondContact O-N 3.32Å; T272-S274 PolarHBondContact O-N 2.99Å; T272-A275 PolarHBondContact O-N 3.44Å
273	R	56.6	Low	76.2	Confident	246 Å²	246	72.8 Å²	72.8	93%	0.928	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-24.8	-173.7	-84.5	-176.3	169.8	-171.3	-3.7	115.7
274	S	57	Low	76.2	Confident	123 Å²	123	73.2 Å²	73.2	86%	0.86	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-6.6	178.1	53.8	0	0	0	0	115	T272	T272-S274 PolarHBondContact O-N 2.99Å
275	A	66.6	Low	76.5	Confident	47 Å²	47	74.5 Å²	74.5	39%	0.388	39%	0.394	S	S	.	.			trans	-98.7	148.7	-178.8	0	0	0	0	0	110.5	P271 T272	P271-A275 HydrophobicContact CB-CB 4.38Å; P271-A275 WeakPolarHBondContact CB-O 3.08Å; T272-A275 PolarHBondContact O-N 3.44Å
276	A	79.2	Confident	76.9	Confident	47 Å²	47	71.9 Å²	71.9	39%	0.388	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.2	177.2	0	0	0	0	0	110.3	V419 F420	A276-V419 HydrophobicContact CB-CG1 3.26Å; A276-F420 CarbonylContact C-O 3.54Å; A276-F420 WeakPolarHBondContact CA-O 3.43Å; A276-F420 WeakPolarHBondContact CB-O 3.38Å
277	V	82.9	Confident	78	Confident	15 Å²	15	69.3 Å²	69.3	9%	0.091	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.2	175.7	174.5	0	0	0	0	108.4	P271 I284 V419 F420 L425	P271-V277 HydrophobicContact CB-CG2 4.49Å; P271-V277 HydrophobicContact CG-CG2 3.86Å; V277-I284 HydrophobicContact CG1-CD1 4.47Å; V277-I284 HydrophobicContact CG1-CG1 4.29Å; V277-I284 HydrophobicContact CG1-CG2 4.17Å; V277-V419 WeakPolarHBondContact O-CA 3.31Å; V277-F420 PolarHBondContact N-O 3.42Å; V277-F420 PolarHBondContact O-N 3Å; V277-L425 HydrophobicContact CB-CD1 4.4Å; V277-L425 HydrophobicContact CG2-CD1 3.83Å
278	D	84.5	Confident	79.3	Confident	65 Å²	65	62.1 Å²	62.1	35%	0.348	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.6	170.7	-179.1	8.6	0	0	0	110.1	N280 S281 V419	D278-N280 PolarHBondContact O-N 3.1Å; D278-N280 VanDerWaalsContact OD1-CB 3.26Å; D278-N280 WeakPolarHBondContact OD1-CB 3.34Å; D278-N280 PolarHBondContact OD1-N 3.34Å; D278-N280 PolarHBondContact OD1-ND2 3.02Å; D278-N280 VanDerWaalsContact OD1-ND2 3.16Å; D278-S281 VanDerWaalsContact O-CB 3.24Å; D278-S281 WeakPolarHBondContact O-CB 3.29Å; D278-S281 PolarHBondContact O-N 3.32Å; D278-V419 HydrophobicContact CB-CG2 4.24Å
279	I	86	Confident	80.2	Confident	45 Å²	45	64.4 Å²	64.4	23%	0.231	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.2	177.8	75.5	-168.3	0	0	0	112.7	S281 R285 L288 G418 F420	I279-S281 VanDerWaalsContact C-N 3.29Å; I279-R285 WeakPolarHBondContact O-CB 3.41Å; I279-R285 PolarHBondContact O-N 3.07Å; I279-L288 HydrophobicContact CB-CD1 3.66Å; I279-L288 HydrophobicContact CG2-CD1 3.88Å; I279-G418 VanDerWaalsContact CG1-O 3.24Å; I279-G418 WeakPolarHBondContact CG1-O 3.4Å; I279-G418 PolarHBondContact N-O 3.48Å; I279-F420 HydrophobicContact CD1-CE2 4.03Å; I279-F420 HydrophobicContact CG2-CD2 3.54Å; I279-F420 HydrophobicContact CG2-CE2 3.54Å
280	N	84.9	Confident	81.3	Confident	81 Å²	81	59.6 Å²	59.6	43%	0.433	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13	177.4	-56.9	-61.7	0	0	0	112.2	D278 R417	D278-N280 PolarHBondContact O-N 3.1Å; D278-N280 VanDerWaalsContact OD1-CB 3.26Å; D278-N280 WeakPolarHBondContact OD1-CB 3.34Å; D278-N280 PolarHBondContact OD1-N 3.34Å; D278-N280 PolarHBondContact OD1-ND2 3.02Å; D278-N280 VanDerWaalsContact OD1-ND2 3.16Å; N280-R417 PolarHBondContact ND2-O 3.47Å
281	S	86.9	Confident	82.4	Confident	38 Å²	38	59.5 Å²	59.5	27%	0.266	32%	0.317	S	S	.	.	S	Bend	trans	-51.2	128	168.9	170.5	0	0	0	0	109.3	D278 I279 Q283 I284 R285	D278-S281 VanDerWaalsContact O-CB 3.24Å; D278-S281 WeakPolarHBondContact O-CB 3.29Å; D278-S281 PolarHBondContact O-N 3.32Å; I279-S281 VanDerWaalsContact C-N 3.29Å; S281-Q283 PolarHBondContact O-N 2.97Å; S281-I284 PolarHBondContact O-N 3.1Å; S281-I284 VanDerWaalsContact O-N 3.1Å; S281-R285 VanDerWaalsContact O-CB 3.24Å; S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 PolarHBondContact O-N 2.89Å
282	P	85.5	Confident	83.6	Confident	105 Å²	105	66.2 Å²	66.2	68%	0.682	34%	0.341	S	S	*	.	H	α-helix	trans	-56.3	-32.5	-173	21.6	-33.1	0	0	0	112.2	R286	P282-R286 WeakPolarHBondContact O-CB 3.32Å; P282-R286 PolarHBondContact O-N 2.98Å; P282-R286 VanDerWaalsContact O-N 3.09Å
283	Q	84.7	Confident	85	Confident	63 Å²	63	63.5 Å²	63.5	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-69.5	-52.9	177.2	-175	179.2	7.9	0	0	112.6	Q266 S281 R285 R286 L287	Q266-Q283 VanDerWaalsContact CB-NE2 3.35Å; Q266-Q283 VanDerWaalsContact CD-NE2 3.26Å; S281-Q283 PolarHBondContact O-N 2.97Å; Q283-R285 VanDerWaalsContact C-N 3.33Å; Q283-R286 PolarHBondContact O-N 3.26Å; Q283-L287 WeakPolarHBondContact O-CG 3.5Å; Q283-L287 PolarHBondContact O-N 3.04Å; Q283-L287 VanDerWaalsContact O-N 3.09Å
284	I	88.6	Confident	86.8	Confident	13 Å²	13	52 Å²	52	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-40.8	179.3	-60.5	-61.6	0	0	0	110.1	L268 V277 S281 R286 L287 L288 L339 L344	L268-I284 HydrophobicContact CD1-CD1 4.03Å; L268-I284 HydrophobicContact CD2-CD1 4.3Å; V277-I284 HydrophobicContact CG1-CD1 4.47Å; V277-I284 HydrophobicContact CG1-CG1 4.29Å; V277-I284 HydrophobicContact CG1-CG2 4.17Å; S281-I284 PolarHBondContact O-N 3.1Å; S281-I284 VanDerWaalsContact O-N 3.1Å; I284-R286 VanDerWaalsContact C-N 3.3Å; I284-R286 PolarHBondContact O-N 3.05Å; I284-L287 PolarHBondContact O-N 3.2Å; I284-L288 HydrophobicContact CG2-CD1 3.78Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 WeakPolarHBondContact O-CB 3.35Å; I284-L288 WeakPolarHBondContact O-CG 3.43Å; I284-L288 PolarHBondContact O-N 3.26Å; I284-L339 HydrophobicContact CD1-CD2 4.07Å; I284-L344 HydrophobicContact CG2-CD2 4.4Å
285	R	89.6	Confident	88.7	Confident	131 Å²	131	46.2 Å²	46.2	49%	0.494	24%	0.239	S	C	.	.	H	α-helix	trans	-56.3	-44.4	175.1	-164.2	179.3	-149.7	-169.9	7.4	111.8	I279 S281 Q283 L288 K289	I279-R285 WeakPolarHBondContact O-CB 3.41Å; I279-R285 PolarHBondContact O-N 3.07Å; S281-R285 VanDerWaalsContact O-CB 3.24Å; S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 PolarHBondContact O-N 2.89Å; Q283-R285 VanDerWaalsContact C-N 3.33Å; R285-L288 PolarHBondContact O-N 3.46Å; R285-K289 WeakPolarHBondContact O-CG 3.42Å; R285-K289 PolarHBondContact O-N 2.85Å
286	R	89.6	Confident	90	Very high	34 Å²	34	46.8 Å²	46.8	13%	0.128	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-45.7	177.2	-177.3	179.9	63	-175.3	3.4	112	T224 P282 Q283 I284 K289 Q290	T224-R286 PolarHBondContact O-NH1 3.49Å; P282-R286 WeakPolarHBondContact O-CB 3.32Å; P282-R286 PolarHBondContact O-N 2.98Å; P282-R286 VanDerWaalsContact O-N 3.09Å; Q283-R286 PolarHBondContact O-N 3.26Å; I284-R286 VanDerWaalsContact C-N 3.3Å; I284-R286 PolarHBondContact O-N 3.05Å; R286-K289 PolarHBondContact O-N 3.21Å; R286-Q290 WeakPolarHBondContact O-CG 2.9Å; R286-Q290 PolarHBondContact O-N 3.26Å
287	L	92.1	Very high	90.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-43.3	176.2	-66.9	175.3	0	0	0	111.6	L259 A262 F263 L268 Q283 I284 K289 Q290 I291 L344	L259-L287 HydrophobicContact CD2-CD2 3.68Å; A262-L287 HydrophobicContact CB-CD2 3.76Å; F263-L287 HydrophobicContact CE2-CD1 4.33Å; F263-L287 HydrophobicContact CE2-CD2 4.35Å; F263-L287 HydrophobicContact CZ-CD1 4.19Å; L268-L287 HydrophobicContact CD1-CD1 3.54Å; Q283-L287 WeakPolarHBondContact O-CG 3.5Å; Q283-L287 PolarHBondContact O-N 3.04Å; Q283-L287 VanDerWaalsContact O-N 3.09Å; I284-L287 PolarHBondContact O-N 3.2Å; L287-K289 PolarHBondContact O-N 3.18Å; L287-Q290 PolarHBondContact O-N 3.25Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 3.15Å; L287-L344 HydrophobicContact CB-CD1 3.87Å; L287-L344 HydrophobicContact CD1-CD1 4.4Å
288	L	93.4	Very high	91.1	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-42.4	176.1	-77.2	170.9	0	0	0	111.9	I279 I284 R285 I291 R292 L344 L348	I279-L288 HydrophobicContact CB-CD1 3.66Å; I279-L288 HydrophobicContact CG2-CD1 3.88Å; I284-L288 HydrophobicContact CG2-CD1 3.78Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 WeakPolarHBondContact O-CB 3.35Å; I284-L288 WeakPolarHBondContact O-CG 3.43Å; I284-L288 PolarHBondContact O-N 3.26Å; R285-L288 PolarHBondContact O-N 3.46Å; L288-I291 PolarHBondContact O-N 3.47Å; L288-R292 WeakPolarHBondContact O-CB 3.28Å; L288-R292 PolarHBondContact O-N 3.22Å; L288-L344 HydrophobicContact CD2-CB 4.05Å; L288-L344 HydrophobicContact CD2-CD1 4.49Å; L288-L344 HydrophobicContact CD2-CD2 4.19Å; L288-L344 HydrophobicContact CD2-CG 4.48Å; L288-L348 HydrophobicContact CD2-CD1 3.84Å; L288-L348 HydrophobicContact CD2-CD2 4.15Å; L288-L348 HydrophobicContact CD2-CG 3.89Å
289	K	93.8	Very high	91.5	Very high	74 Å²	74	43.1 Å²	43.1	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-43	175.5	-73.9	-177.4	176.8	-167.2	0	111.8	E230 L233 R285 R286 L287 L293	E230-K289 VanDerWaalsContact CD-NZ 3.26Å; E230-K289 IonicContact OE1-NZ 3Å; E230-K289 PolarHBondContact OE1-NZ 3.14Å; E230-K289 IonicContact OE2-NZ 2.65Å; L233-K289 HydrophobicContact CD1-CB 3.68Å; R285-K289 WeakPolarHBondContact O-CG 3.42Å; R285-K289 PolarHBondContact O-N 2.85Å; R286-K289 PolarHBondContact O-N 3.21Å; L287-K289 PolarHBondContact O-N 3.18Å; K289-L293 PolarHBondContact O-N 2.99Å
290	Q	95.1	Very high	91.6	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-49.7	176	-74.1	-176.4	45.4	0	0	112.1	L223 L233 L255 S258 L259 R286 L287 R292 L293 M294	L223-Q290 HydrophobicContact CD1-CG 4.16Å; L233-Q290 HydrophobicContact CD1-CG 4.2Å; L233-Q290 HydrophobicContact CD2-CG 3.99Å; L255-Q290 HydrophobicContact CD1-CB 3.88Å; L255-Q290 HydrophobicContact CD1-CG 3.82Å; S258-Q290 PolarHBondContact OG-OE1 3.33Å; L259-Q290 HydrophobicContact CD1-CB 4.21Å; L259-Q290 HydrophobicContact CD2-CB 3.71Å; L259-Q290 HydrophobicContact CG-CB 4.1Å; R286-Q290 WeakPolarHBondContact O-CG 2.9Å; R286-Q290 PolarHBondContact O-N 3.26Å; L287-Q290 PolarHBondContact O-N 3.25Å; Q290-R292 VanDerWaalsContact C-N 3.34Å; Q290-R292 PolarHBondContact O-N 3.18Å; Q290-L293 PolarHBondContact O-N 2.83Å; Q290-M294 PolarHBondContact O-N 2.62Å; Q290-M294 VanDerWaalsContact O-N 3.09Å
291	I	95.9	Very high	91.7	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-39.3	178.7	-66	169.5	0	0	0	110.8	L259 F263 L287 L288 M294 N295 L344 L345 L348	L259-I291 HydrophobicContact CD1-CG1 3.68Å; L259-I291 HydrophobicContact CD2-CD1 4.45Å; L259-I291 HydrophobicContact CD2-CG1 3.93Å; L259-I291 HydrophobicContact CG-CG1 4.47Å; F263-I291 HydrophobicContact CE2-CD1 4.33Å; F263-I291 HydrophobicContact CZ-CD1 4.47Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 3.15Å; L288-I291 PolarHBondContact O-N 3.47Å; I291-M294 PolarHBondContact O-N 3.23Å; I291-N295 VanDerWaalsContact O-CB 3.23Å; I291-N295 WeakPolarHBondContact O-CB 3.4Å; I291-N295 PolarHBondContact O-N 3.48Å; I291-L344 HydrophobicContact CD1-CB 3.58Å; I291-L344 HydrophobicContact CD1-CD1 3.87Å; I291-L344 HydrophobicContact CD1-CG 4.31Å; I291-L345 HydrophobicContact CG2-CB 4.12Å; I291-L345 HydrophobicContact CG2-CD1 4.01Å; I291-L348 HydrophobicContact CB-CD1 3.97Å; I291-L348 HydrophobicContact CG2-CD1 3.7Å
292	R	95.8	Very high	91.7	Very high	147 Å²	147	42.3 Å²	42.3	56%	0.555	20%	0.198	S	C	*	.	H	α-helix	trans	-60.3	-47.5	176.5	179.9	173.9	178.8	170.4	0.8	111.1	L288 Q290 M294 N295 D296 L348	L288-R292 WeakPolarHBondContact O-CB 3.28Å; L288-R292 PolarHBondContact O-N 3.22Å; Q290-R292 VanDerWaalsContact C-N 3.34Å; Q290-R292 PolarHBondContact O-N 3.18Å; R292-M294 VanDerWaalsContact C-N 3.32Å; R292-M294 PolarHBondContact O-N 3.43Å; R292-N295 PolarHBondContact O-N 3.46Å; R292-D296 WeakPolarHBondContact CG-OD2 3.37Å; R292-D296 IonicContact NE-OD2 3.81Å; R292-D296 WeakPolarHBondContact O-CB 3.44Å; R292-D296 VanDerWaalsContact O-CG 3.27Å; R292-D296 PolarHBondContact O-N 3.44Å; R292-L348 HydrophobicContact CB-CD1 3.98Å; R292-L348 HydrophobicContact CB-CD2 4.27Å
293	L	95.6	Very high	91.6	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-43.1	177.5	-177.4	62.2	0	0	0	111.7	L233 F236 A237 F240 L255 K289 Q290 F297	L233-L293 HydrophobicContact CD2-CD2 3.64Å; F236-L293 HydrophobicContact CB-CD2 3.73Å; A237-L293 HydrophobicContact CB-CD1 3.68Å; F240-L293 HydrophobicContact CD2-CD1 4.08Å; F240-L293 HydrophobicContact CD2-CD2 4.45Å; F240-L293 HydrophobicContact CD2-CG 4.15Å; F240-L293 HydrophobicContact CE2-CD1 4.35Å; F240-L293 HydrophobicContact CE2-CD2 4.09Å; F240-L293 HydrophobicContact CE2-CG 3.9Å; L255-L293 HydrophobicContact CD2-CB 4.49Å; L255-L293 HydrophobicContact CD2-CD2 4.14Å; L255-L293 HydrophobicContact CD2-CG 4.37Å; K289-L293 PolarHBondContact O-N 2.99Å; Q290-L293 PolarHBondContact O-N 2.83Å; L293-F297 PolarHBondContact O-N 3.21Å; L293-F297 VanDerWaalsContact O-N 3.14Å
294	M	95.7	Very high	91.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-46.9	173.6	-75	-176	64.5	0	0	112.1	Y252 L255 A256 L259 Q290 I291 R292 F297 Q298 L323	Y252-M294 HydrophobicContact CE1-CE 3.96Å; Y252-M294 HydrophobicContact CE2-CB 4.18Å; Y252-M294 HydrophobicContact CE2-CE 4.16Å; Y252-M294 HydrophobicContact CE2-CG 4.16Å; Y252-M294 VanDerWaalsContact OH-CE 3.32Å; Y252-M294 WeakPolarHBondContact OH-CE 3.3Å; L255-M294 HydrophobicContact CB-CG 4.48Å; L255-M294 HydrophobicContact CD2-CG 3.38Å; L255-M294 HydrophobicContact CD2-SD 4.36Å; L255-M294 HydrophobicContact CG-CG 3.68Å; L255-M294 HydrophobicContact CG-SD 3.98Å; A256-M294 HydrophobicContact CB-CE 3.71Å; A256-M294 HydrophobicContact CB-SD 4.23Å; L259-M294 HydrophobicContact CD1-SD 3.4Å; L259-M294 WeakPolarHBondContact CD1-SD 3.36Å; Q290-M294 PolarHBondContact O-N 2.62Å; Q290-M294 VanDerWaalsContact O-N 3.09Å; I291-M294 PolarHBondContact O-N 3.23Å; R292-M294 VanDerWaalsContact C-N 3.32Å; R292-M294 PolarHBondContact O-N 3.43Å; M294-F297 PolarHBondContact O-N 3.34Å; M294-Q298 WeakPolarHBondContact O-CG 3.42Å; M294-Q298 PolarHBondContact O-N 2.91Å; M294-L323 HydrophobicContact CE-CD2 3.81Å; M294-L323 HydrophobicContact SD-CD2 4Å
295	N	96.2	Very high	91.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-40.3	-176.8	178.8	54.5	0	0	0	112.5	I291 R292 F297 Q298 K299 L345 D349	I291-N295 VanDerWaalsContact O-CB 3.23Å; I291-N295 WeakPolarHBondContact O-CB 3.4Å; I291-N295 PolarHBondContact O-N 3.48Å; R292-N295 PolarHBondContact O-N 3.46Å; N295-F297 VanDerWaalsContact C-N 3.35Å; N295-Q298 PolarHBondContact O-N 3.05Å; N295-K299 VanDerWaalsContact ND2-CE 3.27Å; N295-K299 WeakPolarHBondContact ND2-CE 3.1Å; N295-K299 PolarHBondContact ND2-NZ 3.18Å; N295-K299 WeakPolarHBondContact O-CG 3.41Å; N295-K299 PolarHBondContact O-N 3.33Å; N295-K299 WeakPolarHBondContact OD1-CE 3.48Å; N295-L345 HydrophobicContact CB-CD1 3.89Å; N295-D349 PolarHBondContact OD1-OD2 3.23Å
296	D	94.3	Very high	90.8	Very high	60 Å²	60	41.9 Å²	41.9	32%	0.321	20%	0.202	S	C	.	.	H	α-helix	trans	-62.9	-44.4	175.7	-68.9	-17.3	0	0	0	109.9	R292 Q298 K299 E300	R292-D296 WeakPolarHBondContact CG-OD2 3.37Å; R292-D296 IonicContact NE-OD2 3.81Å; R292-D296 WeakPolarHBondContact O-CB 3.44Å; R292-D296 VanDerWaalsContact O-CG 3.27Å; R292-D296 PolarHBondContact O-N 3.44Å; D296-Q298 PolarHBondContact O-N 3.33Å; D296-K299 WeakPolarHBondContact O-CB 3.43Å; D296-K299 PolarHBondContact O-N 3.37Å; D296-E300 PolarHBondContact O-N 3.12Å
297	F	92.9	Very high	90.4	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-44.8	171.9	179.2	-100.8	0	0	0	112.8	F240 T248 Y252 L293 M294 N295 K299 E300 V301 F304 I316	F240-F297 HydrophobicContact CB-CD2 3.84Å; F240-F297 HydrophobicContact CB-CE2 4.25Å; F240-F297 AromaticContact CD1-CD2 3.83Å; F240-F297 HydrophobicContact CD1-CD2 3.83Å; F240-F297 AromaticContact CD1-CE2 3.86Å; F240-F297 HydrophobicContact CD1-CE2 3.86Å; F240-F297 HydrophobicContact CD1-CG 4.37Å; F240-F297 HydrophobicContact CD1-CZ 4.44Å; F240-F297 HydrophobicContact CD2-CB 4.2Å; F240-F297 HydrophobicContact CD2-CD2 4.19Å; F240-F297 HydrophobicContact CD2-CG 4.35Å; F240-F297 HydrophobicContact CE1-CD2 4.4Å; F240-F297 HydrophobicContact CE1-CE2 4.45Å; F240-F297 HydrophobicContact CE2-CB 4.36Å; F240-F297 AromaticContact CG-CD2 3.7Å; F240-F297 HydrophobicContact CG-CD2 3.7Å; F240-F297 HydrophobicContact CG-CE2 4.15Å; F240-F297 HydrophobicContact CG-CG 4.27Å; T248-F297 HydrophobicContact CG2-CE2 3.68Å; T248-F297 HydrophobicContact CG2-CZ 3.61Å; Y252-F297 AromaticContact CD2-CD1 3.39Å; Y252-F297 HydrophobicContact CD2-CD1 3.39Å; Y252-F297 AromaticContact CD2-CE1 3.69Å; Y252-F297 HydrophobicContact CD2-CE1 3.69Å; Y252-F297 HydrophobicContact CD2-CG 4.25Å; Y252-F297 AromaticContact CE2-CD1 3.47Å; Y252-F297 HydrophobicContact CE2-CD1 3.47Å; Y252-F297 VanDerWaalsContact CE2-CD1 3.47Å; Y252-F297 HydrophobicContact CE2-CE1 4.07Å; Y252-F297 HydrophobicContact CE2-CG 4.39Å; Y252-F297 HydrophobicContact CG-CD1 4.39Å; Y252-F297 HydrophobicContact CG-CE1 4.29Å; L293-F297 PolarHBondContact O-N 3.21Å; L293-F297 VanDerWaalsContact O-N 3.14Å; M294-F297 PolarHBondContact O-N 3.34Å; N295-F297 VanDerWaalsContact C-N 3.35Å; F297-K299 PolarHBondContact O-N 3.02Å; F297-E300 PolarHBondContact O-N 3.47Å; F297-V301 HydrophobicContact CD1-CB 4.35Å; F297-V301 HydrophobicContact CE1-CB 4.01Å; F297-V301 HydrophobicContact CE1-CG2 3.73Å; F297-V301 HydrophobicContact CE2-CG2 4.36Å; F297-V301 HydrophobicContact CZ-CB 4.12Å; F297-V301 HydrophobicContact CZ-CG2 3.63Å; F297-V301 WeakPolarHBondContact O-CB 3.27Å; F297-V301 PolarHBondContact O-N 3.46Å; F297-F304 AromaticContact CE2-CZ 3.94Å; F297-F304 HydrophobicContact CE2-CZ 3.94Å; F297-F304 HydrophobicContact CZ-CZ 4.34Å; F297-I316 HydrophobicContact CE1-CD1 4.35Å; F297-I316 HydrophobicContact CE1-CG2 4.22Å
298	Q	92.5	Very high	89.7	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-30.8	177.7	-71.3	170.1	-17.8	0	0	112.7	Y252 M294 N295 D296 V301 T320 W354 W358	Y252-Q298 HydrophobicContact CE2-CG 4.41Å; Y252-Q298 VanDerWaalsContact OH-CG 3.29Å; Y252-Q298 WeakPolarHBondContact OH-CG 3.49Å; Y252-Q298 PolarHBondContact OH-NE2 3.17Å; M294-Q298 WeakPolarHBondContact O-CG 3.42Å; M294-Q298 PolarHBondContact O-N 2.91Å; N295-Q298 PolarHBondContact O-N 3.05Å; D296-Q298 PolarHBondContact O-N 3.33Å; Q298-V301 WeakPolarHBondContact O-CG1 3.1Å; Q298-T320 PolarHBondContact NE2-OG1 3.24Å; Q298-W354 HydrophobicContact CB-CB 3.98Å; Q298-W358 HydrophobicContact CB-CZ2 3.98Å; Q298-W358 HydrophobicContact CG-CH2 4.39Å; Q298-W358 HydrophobicContact CG-CZ2 3.72Å; Q298-W358 PolarHBondContact O-NE1 3.14Å
299	K	92.1	Very high	89.3	Confident	37 Å²	37	53.1 Å²	53.1	16%	0.161	26%	0.255	C	S	.	.	H	α-helix	trans	-76.5	-23	176	-68.9	169.9	-168.3	-175.9	0	112.8	N295 D296 F297 D349 T353 W354 K357	N295-K299 VanDerWaalsContact ND2-CE 3.27Å; N295-K299 WeakPolarHBondContact ND2-CE 3.1Å; N295-K299 PolarHBondContact ND2-NZ 3.18Å; N295-K299 WeakPolarHBondContact O-CG 3.41Å; N295-K299 PolarHBondContact O-N 3.33Å; N295-K299 WeakPolarHBondContact OD1-CE 3.48Å; D296-K299 WeakPolarHBondContact O-CB 3.43Å; D296-K299 PolarHBondContact O-N 3.37Å; F297-K299 PolarHBondContact O-N 3.02Å; K299-D349 WeakPolarHBondContact CE-OD2 3.48Å; K299-D349 IonicContact NZ-OD1 2.63Å; K299-D349 IonicContact NZ-OD2 3.35Å; K299-T353 WeakPolarHBondContact CE-OG1 3.49Å; K299-T353 PolarHBondContact NZ-OG1 2.83Å; K299-W354 HydrophobicContact CG-CB 4.01Å; K299-K357 HydrophobicContact CB-CD 4.19Å; K299-K357 WeakPolarHBondContact O-CD 3.46Å; K299-K357 WeakPolarHBondContact O-CE 3.18Å; K299-K357 PolarHBondContact O-NZ 2.75Å
300	E	89.3	Confident	89.1	Confident	112 Å²	112	53 Å²	53	52%	0.523	26%	0.255	S	S	.	.	H	α-helix	trans	-98.4	-31.3	-177.6	-69.5	-179.3	179.5	0	0	112.5	D296 F297 T302 T303	D296-E300 PolarHBondContact O-N 3.12Å; F297-E300 PolarHBondContact O-N 3.47Å; E300-T302 PolarHBondContact O-N 3.21Å; E300-T303 WeakPolarHBondContact O-CB 3.44Å; E300-T303 WeakPolarHBondContact O-CG2 3.42Å; E300-T303 PolarHBondContact O-N 3.41Å; E300-T303 PolarHBondContact O-OG1 3.46Å
301	V	87.1	Confident	88.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.8	-27	-172.4	74.5	0	0	0	0	113.8	F297 Q298 T303 F304 W305	F297-V301 HydrophobicContact CD1-CB 4.35Å; F297-V301 HydrophobicContact CE1-CB 4.01Å; F297-V301 HydrophobicContact CE1-CG2 3.73Å; F297-V301 HydrophobicContact CE2-CG2 4.36Å; F297-V301 HydrophobicContact CZ-CB 4.12Å; F297-V301 HydrophobicContact CZ-CG2 3.63Å; F297-V301 WeakPolarHBondContact O-CB 3.27Å; F297-V301 PolarHBondContact O-N 3.46Å; Q298-V301 WeakPolarHBondContact O-CG1 3.1Å; V301-T303 PolarHBondContact O-N 2.81Å; V301-F304 VanDerWaalsContact CA-CZ 3.46Å; V301-F304 HydrophobicContact CB-CE2 4.15Å; V301-F304 HydrophobicContact CB-CZ 4.01Å; V301-F304 HydrophobicContact CG2-CD2 4.27Å; V301-F304 HydrophobicContact CG2-CE2 3.46Å; V301-F304 VanDerWaalsContact CG2-CE2 3.46Å; V301-F304 HydrophobicContact CG2-CZ 3.79Å; V301-F304 PolarHBondContact O-N 3.42Å; V301-W305 HydrophobicContact CG1-CZ2 3.67Å; V301-W305 VanDerWaalsContact CG2-NE1 3.27Å; V301-W305 VanDerWaalsContact O-CD1 3.25Å; V301-W305 PolarHBondContact O-N 2.78Å
302	T	86.4	Confident	88.6	Confident	36 Å²	36	60 Å²	60	22%	0.221	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65.9	-22.5	179.2	68.7	0	0	0	0	113.8	E300 F304 W305 K357 W358	E300-T302 PolarHBondContact O-N 3.21Å; T302-F304 PolarHBondContact O-N 2.76Å; T302-W305 VanDerWaalsContact CA-CE3 3.48Å; T302-W305 HydrophobicContact CG2-CD2 4.28Å; T302-W305 HydrophobicContact CG2-CE3 3.67Å; T302-W305 HydrophobicContact CG2-CH2 3.49Å; T302-W305 VanDerWaalsContact CG2-CH2 3.49Å; T302-W305 HydrophobicContact CG2-CZ2 4.05Å; T302-W305 HydrophobicContact CG2-CZ3 3.18Å; T302-K357 HydrophobicContact CG2-CB 3.88Å; T302-W358 VanDerWaalsContact CG2-CD1 3.41Å; T302-W358 HydrophobicContact CG2-CG 4.42Å
303	T	83.4	Confident	88.4	Confident	104 Å²	104	53 Å²	53	64%	0.638	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-71.4	-20.4	-179.5	61.4	0	0	0	0	112.9	E300 V301	E300-T303 WeakPolarHBondContact O-CB 3.44Å; E300-T303 WeakPolarHBondContact O-CG2 3.42Å; E300-T303 PolarHBondContact O-N 3.41Å; E300-T303 PolarHBondContact O-OG1 3.46Å; V301-T303 PolarHBondContact O-N 2.81Å
304	F	82.4	Confident	88.3	Confident	45 Å²	45	54.4 Å²	54.4	20%	0.197	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-2.6	-175.3	51	-104.8	0	0	0	114.6	F297 V301 T302 I306 R307 H308	F297-F304 AromaticContact CE2-CZ 3.94Å; F297-F304 HydrophobicContact CE2-CZ 3.94Å; F297-F304 HydrophobicContact CZ-CZ 4.34Å; V301-F304 VanDerWaalsContact CA-CZ 3.46Å; V301-F304 HydrophobicContact CB-CE2 4.15Å; V301-F304 HydrophobicContact CB-CZ 4.01Å; V301-F304 HydrophobicContact CG2-CD2 4.27Å; V301-F304 HydrophobicContact CG2-CE2 3.46Å; V301-F304 VanDerWaalsContact CG2-CE2 3.46Å; V301-F304 HydrophobicContact CG2-CZ 3.79Å; V301-F304 PolarHBondContact O-N 3.42Å; T302-F304 PolarHBondContact O-N 2.76Å; F304-I306 PolarHBondContact O-N 2.7Å; F304-I306 VanDerWaalsContact O-N 3.1Å; F304-R307 WeakPolarHBondContact O-CB 3.41Å; F304-R307 PolarHBondContact O-N 3.04Å; F304-H308 AromaticContact CD2-CD2 3.56Å; F304-H308 AromaticContact CD2-NE2 3.23Å; F304-H308 WeakPolarHBondContact CD2-NE2 3.22Å; F304-H308 AromaticContact CG-NE2 3.89Å; F304-H308 PolarHBondContact O-CD2 3.01Å; F304-H308 PolarHBondContact O-NE2 3.27Å
305	W	84.1	Confident	88.2	Confident	7 Å²	7	56.3 Å²	56.3	3%	0.027	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-47.5	-40.9	176.4	-81	-21.8	0	0	0	115.1	V301 T302 R307 H308 M313 I317 W358 Y363 S364	V301-W305 HydrophobicContact CG1-CZ2 3.67Å; V301-W305 VanDerWaalsContact CG2-NE1 3.27Å; V301-W305 VanDerWaalsContact O-CD1 3.25Å; V301-W305 PolarHBondContact O-N 2.78Å; T302-W305 VanDerWaalsContact CA-CE3 3.48Å; T302-W305 HydrophobicContact CG2-CD2 4.28Å; T302-W305 HydrophobicContact CG2-CE3 3.67Å; T302-W305 HydrophobicContact CG2-CH2 3.49Å; T302-W305 VanDerWaalsContact CG2-CH2 3.49Å; T302-W305 HydrophobicContact CG2-CZ2 4.05Å; T302-W305 HydrophobicContact CG2-CZ3 3.18Å; W305-R307 PolarHBondContact O-N 2.88Å; W305-H308 PolarHBondContact O-N 3.14Å; W305-M313 HydrophobicContact CB-CE 4.34Å; W305-M313 HydrophobicContact CD2-CG 3.9Å; W305-M313 HydrophobicContact CD2-SD 4.07Å; W305-M313 HydrophobicContact CE3-SD 4.39Å; W305-M313 HydrophobicContact CG-CE 4.42Å; W305-M313 HydrophobicContact CG-CG 3.94Å; W305-M313 HydrophobicContact CG-SD 4.33Å; W305-M313 HydrophobicContact CZ2-CG 4.07Å; W305-I317 HydrophobicContact CZ2-CD1 4.4Å; W305-I317 HydrophobicContact CZ2-CG1 4.41Å; W305-W358 HydrophobicContact CH2-CB 3.84Å; W305-W358 AromaticContact CH2-CD1 3.29Å; W305-W358 AromaticContact CH2-CD2 3.79Å; W305-W358 HydrophobicContact CH2-CD2 3.79Å; W305-W358 AromaticContact CH2-CE2 3.88Å; W305-W358 AromaticContact CH2-CG 3.38Å; W305-W358 HydrophobicContact CH2-CG 3.38Å; W305-W358 AromaticContact CH2-NE1 3.57Å; W305-W358 AromaticContact CZ2-CD1 3.88Å; W305-W358 HydrophobicContact CZ2-CD2 4.15Å; W305-W358 AromaticContact CZ2-CE2 3.82Å; W305-W358 HydrophobicContact CZ2-CG 4.15Å; W305-W358 HydrophobicContact CZ2-CZ2 4.35Å; W305-W358 AromaticContact CZ2-NE1 3.65Å; W305-W358 HydrophobicContact CZ3-CB 4.37Å; W305-W358 HydrophobicContact CZ3-CG 4.27Å; W305-Y363 HydrophobicContact CB-CD1 4.43Å; W305-Y363 HydrophobicContact CB-CE1 4.49Å; W305-Y363 WeakPolarHBondContact O-CE1 2.93Å; W305-S364 WeakPolarHBondContact CZ3-OG 3.45Å
306	I	79.4	Confident	88.1	Confident	147 Å²	147	56.2 Å²	56.2	75%	0.754	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.8	-178	-64.1	172	0	0	0	111.6	F304 H308 Y363	F304-I306 PolarHBondContact O-N 2.7Å; F304-I306 VanDerWaalsContact O-N 3.1Å; I306-H308 PolarHBondContact O-N 2.53Å; I306-Y363 HydrophobicContact CG1-CD1 4.27Å
307	R	81.2	Confident	88.2	Confident	176 Å²	176	53.3 Å²	53.3	66%	0.664	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-78.8	1.9	178.2	-56.3	177	-177.8	170	-0.7	112.2	F304 W305	F304-R307 WeakPolarHBondContact O-CB 3.41Å; F304-R307 PolarHBondContact O-N 3.04Å; W305-R307 PolarHBondContact O-N 2.88Å
308	H	77.1	Confident	88.3	Confident	31 Å²	31	55.7 Å²	55.7	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	-132.1	152.5	-168.3	-53.7	-32.8	0	0	0	113.2	L245 F304 W305 I306 Y312 Y363	L245-H308 HydrophobicContact CD1-CB 4.27Å; L245-H308 WeakPolarHBondContact CD1-ND1 3.46Å; L245-H308 WeakPolarHBondContact CD2-CE1 3.27Å; L245-H308 VanDerWaalsContact CD2-ND1 3.28Å; L245-H308 WeakPolarHBondContact CD2-ND1 3.44Å; L245-H308 WeakPolarHBondContact CD2-NE2 3.4Å; F304-H308 AromaticContact CD2-CD2 3.56Å; F304-H308 AromaticContact CD2-NE2 3.23Å; F304-H308 WeakPolarHBondContact CD2-NE2 3.22Å; F304-H308 AromaticContact CG-NE2 3.89Å; F304-H308 PolarHBondContact O-CD2 3.01Å; F304-H308 PolarHBondContact O-NE2 3.27Å; W305-H308 PolarHBondContact O-N 3.14Å; I306-H308 PolarHBondContact O-N 2.53Å; H308-Y312 HydrophobicContact CB-CD1 3.94Å; H308-Y363 PolarHBondContact O-OH 3.44Å; H308-Y363 VanDerWaalsContact O-OH 3.08Å
309	P	85.6	Confident	88.5	Confident	83 Å²	83	56.2 Å²	56.2	54%	0.539	27%	0.273	S	S	.	.			trans	-59.7	143.3	177.1	-22.5	33.3	0	0	0	112.5	K311 Y312	P309-K311 PolarHBondContact O-N 3.41Å; P309-Y312 WeakPolarHBondContact O-CB 3.48Å; P309-Y312 PolarHBondContact O-N 3.28Å
310	E	89.3	Confident	88.7	Confident	71 Å²	71	54.6 Å²	54.6	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-54.6	-39.7	179.3	-174.8	175.9	152.8	0	0	111.6	Y312 M313 E314 Y363 V367 R370	E310-Y312 VanDerWaalsContact C-N 3.28Å; E310-Y312 PolarHBondContact O-N 2.84Å; E310-M313 WeakPolarHBondContact O-CB 3.15Å; E310-M313 PolarHBondContact O-N 2.99Å; E310-E314 WeakPolarHBondContact O-CB 3.36Å; E310-E314 PolarHBondContact O-N 3.12Å; E310-Y363 WeakPolarHBondContact CA-OH 3.49Å; E310-Y363 HydrophobicContact CB-CE2 4.2Å; E310-Y363 WeakPolarHBondContact CB-OH 3.34Å; E310-Y363 HydrophobicContact CG-CE2 4.34Å; E310-Y363 PolarHBondContact N-OH 3.34Å; E310-V367 HydrophobicContact CG-CG2 3.84Å; E310-R370 IonicContact OE1-CZ 3.7Å; E310-R370 VanDerWaalsContact OE1-CZ 3.32Å; E310-R370 IonicContact OE1-NH1 2.89Å; E310-R370 PolarHBondContact OE1-NH1 3.26Å; E310-R370 IonicContact OE1-NH2 3.8Å; E310-R370 PolarHBondContact OE1-NH2 2.87Å
311	K	90.5	Very high	89.1	Confident	145 Å²	145	49.3 Å²	49.3	63%	0.63	24%	0.241	S	C	*	.	H	α-helix	trans	-56.5	-39	177.8	-174.9	174.7	179.5	178.3	0	113.2	P309 E314 E315	P309-K311 PolarHBondContact O-N 3.41Å; K311-E314 PolarHBondContact O-N 2.9Å; K311-E315 WeakPolarHBondContact CE-OE1 3.38Å; K311-E315 WeakPolarHBondContact O-CG 3.27Å; K311-E315 PolarHBondContact O-N 3.27Å
312	Y	89.6	Confident	89.4	Confident	13 Å²	13	51.8 Å²	51.8	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-47.4	176.2	163.5	-92.3	0	0	0	110.6	L245 T248 R249 H308 P309 E310 E315 I316	L245-Y312 HydrophobicContact CB-CD2 4.21Å; L245-Y312 HydrophobicContact CB-CE2 4.22Å; L245-Y312 VanDerWaalsContact O-CE2 3.27Å; L245-Y312 WeakPolarHBondContact O-CE2 3.48Å; T248-Y312 WeakPolarHBondContact CG2-OH 3.48Å; R249-Y312 HydrophobicContact CB-CD2 3.85Å; R249-Y312 HydrophobicContact CB-CE2 3.7Å; R249-Y312 HydrophobicContact CG-CD2 4.18Å; R249-Y312 HydrophobicContact CG-CE2 4.4Å; H308-Y312 HydrophobicContact CB-CD1 3.94Å; P309-Y312 WeakPolarHBondContact O-CB 3.48Å; P309-Y312 PolarHBondContact O-N 3.28Å; E310-Y312 VanDerWaalsContact C-N 3.28Å; E310-Y312 PolarHBondContact O-N 2.84Å; Y312-E315 PolarHBondContact O-N 3.41Å; Y312-I316 HydrophobicContact CE1-CG1 4.37Å; Y312-I316 HydrophobicContact CE2-CG1 4.37Å; Y312-I316 WeakPolarHBondContact O-CG1 3.12Å; Y312-I316 PolarHBondContact O-N 3.18Å
313	M	91.1	Very high	89.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-45.5	178.6	-169.8	-153.5	-38.4	0	0	111.7	W305 E310 E315 I316 I317 Y363 S364 V367	W305-M313 HydrophobicContact CB-CE 4.34Å; W305-M313 HydrophobicContact CD2-CG 3.9Å; W305-M313 HydrophobicContact CD2-SD 4.07Å; W305-M313 HydrophobicContact CE3-SD 4.39Å; W305-M313 HydrophobicContact CG-CE 4.42Å; W305-M313 HydrophobicContact CG-CG 3.94Å; W305-M313 HydrophobicContact CG-SD 4.33Å; W305-M313 HydrophobicContact CZ2-CG 4.07Å; E310-M313 WeakPolarHBondContact O-CB 3.15Å; E310-M313 PolarHBondContact O-N 2.99Å; M313-E315 VanDerWaalsContact C-N 3.31Å; M313-E315 PolarHBondContact O-N 3.2Å; M313-I316 PolarHBondContact O-N 2.94Å; M313-I317 HydrophobicContact CG-CD1 3.66Å; M313-I317 HydrophobicContact CG-CG1 4.35Å; M313-I317 VanDerWaalsContact O-CG1 3.31Å; M313-I317 WeakPolarHBondContact O-CG1 3.13Å; M313-I317 PolarHBondContact O-N 3.25Å; M313-I317 HydrophobicContact SD-CD1 3.72Å; M313-Y363 HydrophobicContact CE-CD1 3.24Å; M313-Y363 HydrophobicContact CE-CD2 4.15Å; M313-Y363 HydrophobicContact CE-CE1 2.99Å; M313-Y363 HydrophobicContact CE-CE2 3.93Å; M313-Y363 HydrophobicContact CE-CG 3.83Å; M313-S364 VanDerWaalsContact SD-CA 3.55Å; M313-V367 HydrophobicContact SD-CB 4.43Å; M313-V367 HydrophobicContact SD-CG2 4.23Å
314	E	94.1	Very high	90.4	Very high	56 Å²	56	46.3 Å²	46.3	26%	0.262	22%	0.223	S	C	.	.	H	α-helix	trans	-58.7	-43.2	179.7	-172.1	166.6	-172.8	0	0	110.9	E310 K311 I316 I317 E318 V367 R370 L371	E310-E314 WeakPolarHBondContact O-CB 3.36Å; E310-E314 PolarHBondContact O-N 3.12Å; K311-E314 PolarHBondContact O-N 2.9Å; E314-I316 PolarHBondContact O-N 3.21Å; E314-I317 PolarHBondContact O-N 3.04Å; E314-E318 WeakPolarHBondContact O-CA 3.4Å; E314-E318 WeakPolarHBondContact O-CB 3.25Å; E314-E318 PolarHBondContact O-N 3.08Å; E314-V367 HydrophobicContact CB-CG1 3.91Å; E314-V367 HydrophobicContact CG-CG1 3.89Å; E314-R370 IonicContact OE2-NH1 3.42Å; E314-L371 HydrophobicContact CG-CD1 4.18Å
315	E	93.6	Very high	90.8	Very high	44 Å²	44	45.3 Å²	45.3	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-37.6	176.9	-72.3	179.2	-156.3	0	0	113.1	R249 K311 Y312 M313 S319	R249-E315 WeakPolarHBondContact CD-OE2 3.47Å; R249-E315 IonicContact CZ-OE2 3.55Å; R249-E315 IonicContact NE-OE2 2.83Å; R249-E315 IonicContact NH1-OE1 2.68Å; R249-E315 PolarHBondContact NH1-OE1 3.19Å; R249-E315 IonicContact NH1-OE2 3.67Å; R249-E315 PolarHBondContact NH1-OE2 2.95Å; K311-E315 WeakPolarHBondContact CE-OE1 3.38Å; K311-E315 WeakPolarHBondContact O-CG 3.27Å; K311-E315 PolarHBondContact O-N 3.27Å; Y312-E315 PolarHBondContact O-N 3.41Å; M313-E315 VanDerWaalsContact C-N 3.31Å; M313-E315 PolarHBondContact O-N 3.2Å; E315-S319 WeakPolarHBondContact O-CB 3.23Å; E315-S319 PolarHBondContact O-N 2.67Å
316	I	94.3	Very high	90.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-46.6	175	-63.6	-66.2	0	0	0	111.1	Y252 F297 Y312 M313 E314 S319 T320	Y252-I316 HydrophobicContact CD1-CB 4.49Å; Y252-I316 HydrophobicContact CD1-CD1 3.49Å; Y252-I316 VanDerWaalsContact CD1-CD1 3.49Å; Y252-I316 HydrophobicContact CD1-CG2 4.05Å; Y252-I316 HydrophobicContact CD2-CD1 4.47Å; Y252-I316 HydrophobicContact CE1-CD1 4.32Å; Y252-I316 HydrophobicContact CE1-CG2 3.8Å; Y252-I316 HydrophobicContact CG-CD1 3.59Å; F297-I316 HydrophobicContact CE1-CD1 4.35Å; F297-I316 HydrophobicContact CE1-CG2 4.22Å; Y312-I316 HydrophobicContact CE1-CG1 4.37Å; Y312-I316 HydrophobicContact CE2-CG1 4.37Å; Y312-I316 WeakPolarHBondContact O-CG1 3.12Å; Y312-I316 PolarHBondContact O-N 3.18Å; M313-I316 PolarHBondContact O-N 2.94Å; E314-I316 PolarHBondContact O-N 3.21Å; I316-S319 PolarHBondContact O-N 3.25Å; I316-T320 PolarHBondContact O-N 3.37Å; I316-T320 PolarHBondContact O-OG1 3.02Å
317	I	95.6	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-46.1	177.9	-67.1	167.1	0	0	0	109.8	W305 M313 E314 S319 T320 F321 W358 V367 V368 L371	W305-I317 HydrophobicContact CZ2-CD1 4.4Å; W305-I317 HydrophobicContact CZ2-CG1 4.41Å; M313-I317 HydrophobicContact CG-CD1 3.66Å; M313-I317 HydrophobicContact CG-CG1 4.35Å; M313-I317 VanDerWaalsContact O-CG1 3.31Å; M313-I317 WeakPolarHBondContact O-CG1 3.13Å; M313-I317 PolarHBondContact O-N 3.25Å; M313-I317 HydrophobicContact SD-CD1 3.72Å; E314-I317 PolarHBondContact O-N 3.04Å; I317-S319 PolarHBondContact O-N 3.23Å; I317-T320 WeakPolarHBondContact O-CB 3.46Å; I317-T320 PolarHBondContact O-N 3.18Å; I317-F321 HydrophobicContact CG2-CD2 3.84Å; I317-F321 HydrophobicContact CG2-CE1 4.47Å; I317-F321 HydrophobicContact CG2-CE2 3.55Å; I317-F321 HydrophobicContact CG2-CG 4.42Å; I317-F321 HydrophobicContact CG2-CZ 3.9Å; I317-F321 WeakPolarHBondContact O-CG 3.28Å; I317-F321 PolarHBondContact O-N 3.3Å; I317-W358 HydrophobicContact CB-CH2 4.3Å; I317-W358 HydrophobicContact CB-CZ3 4.07Å; I317-W358 HydrophobicContact CG1-CE3 4.12Å; I317-W358 HydrophobicContact CG1-CH2 3.92Å; I317-W358 HydrophobicContact CG1-CZ2 4.45Å; I317-W358 HydrophobicContact CG1-CZ3 3.75Å; I317-W358 HydrophobicContact CG2-CE3 4.45Å; I317-W358 HydrophobicContact CG2-CZ3 3.85Å; I317-V367 HydrophobicContact CD1-CB 4.13Å; I317-V367 HydrophobicContact CD1-CG1 3.87Å; I317-V368 HydrophobicContact CD1-CG2 3.91Å; I317-V368 HydrophobicContact CG1-CG2 4.46Å; I317-V368 HydrophobicContact CG2-CG2 4.11Å; I317-L371 HydrophobicContact CB-CD1 4.1Å; I317-L371 HydrophobicContact CG2-CD1 3.54Å
318	E	95.9	Very high	89.8	Confident	57 Å²	57	36.6 Å²	36.6	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-44.8	179.6	-177.3	168.9	-146.4	0	0	111.4	E314 T320 F321 C322 L371 K375 Y376	E314-E318 WeakPolarHBondContact O-CA 3.4Å; E314-E318 WeakPolarHBondContact O-CB 3.25Å; E314-E318 PolarHBondContact O-N 3.08Å; E318-T320 VanDerWaalsContact C-N 3.27Å; E318-T320 PolarHBondContact O-N 3.05Å; E318-F321 PolarHBondContact O-N 3.13Å; E318-C322 VanDerWaalsContact O-CB 3.29Å; E318-C322 WeakPolarHBondContact O-CB 3.23Å; E318-C322 PolarHBondContact O-N 3.1Å; E318-L371 HydrophobicContact CB-CD1 4.25Å; E318-K375 IonicContact OE1-NZ 3.88Å; E318-K375 PolarHBondContact OE1-NZ 3.24Å; E318-Y376 HydrophobicContact CG-CE2 3.93Å; E318-Y376 WeakPolarHBondContact CG-OH 3.38Å; E318-Y376 PolarHBondContact O-OH 2.99Å
319	S	96.3	Very high	88.5	Confident	16 Å²	16	42.2 Å²	42.2	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-35.4	176.3	-170.3	0	0	0	0	112.3	A256 E315 I316 I317 L323	A256-S319 WeakPolarHBondContact CB-OG 3.15Å; E315-S319 WeakPolarHBondContact O-CB 3.23Å; E315-S319 PolarHBondContact O-N 2.67Å; I316-S319 PolarHBondContact O-N 3.25Å; I317-S319 PolarHBondContact O-N 3.23Å; S319-L323 PolarHBondContact O-N 3.36Å
320	T	96.5	Very high	86.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-50	173.5	-61	0	0	0	0	111.3	Y252 Q298 I316 I317 E318 C322 L323 L324 W354 W358	Y252-T320 PolarHBondContact OH-OG1 3.18Å; Q298-T320 PolarHBondContact NE2-OG1 3.24Å; I316-T320 PolarHBondContact O-N 3.37Å; I316-T320 PolarHBondContact O-OG1 3.02Å; I317-T320 WeakPolarHBondContact O-CB 3.46Å; I317-T320 PolarHBondContact O-N 3.18Å; E318-T320 VanDerWaalsContact C-N 3.27Å; E318-T320 PolarHBondContact O-N 3.05Å; T320-C322 VanDerWaalsContact C-N 3.31Å; T320-C322 PolarHBondContact O-N 3.4Å; T320-L323 PolarHBondContact O-N 3.01Å; T320-L324 HydrophobicContact CG2-CD1 3.92Å; T320-L324 HydrophobicContact CG2-CG 4.39Å; T320-L324 WeakPolarHBondContact O-CG 3.39Å; T320-L324 PolarHBondContact O-N 3.33Å; T320-W354 HydrophobicContact CG2-CZ3 4.36Å; T320-W358 HydrophobicContact CG2-CH2 3.96Å; T320-W358 HydrophobicContact CG2-CZ3 4.33Å
321	F	96.8	Very high	84.2	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-32.7	-177.3	-72.3	-9.8	0	0	0	112.4	I317 E318 L324 S325 W354 W358 V368 L371 L372 Y376 L379	I317-F321 HydrophobicContact CG2-CD2 3.84Å; I317-F321 HydrophobicContact CG2-CE1 4.47Å; I317-F321 HydrophobicContact CG2-CE2 3.55Å; I317-F321 HydrophobicContact CG2-CG 4.42Å; I317-F321 HydrophobicContact CG2-CZ 3.9Å; I317-F321 WeakPolarHBondContact O-CG 3.28Å; I317-F321 PolarHBondContact O-N 3.3Å; E318-F321 PolarHBondContact O-N 3.13Å; F321-L324 PolarHBondContact O-N 3.09Å; F321-S325 WeakPolarHBondContact O-CB 3.41Å; F321-S325 PolarHBondContact O-N 2.94Å; F321-S325 PolarHBondContact O-OG 2.95Å; F321-W354 HydrophobicContact CE1-CH2 4.04Å; F321-W354 HydrophobicContact CE1-CZ3 4.14Å; F321-W358 HydrophobicContact CE1-CZ3 4.01Å; F321-W358 HydrophobicContact CZ-CZ3 4.29Å; F321-V368 HydrophobicContact CE2-CG1 4.32Å; F321-V368 HydrophobicContact CZ-CG1 3.91Å; F321-V368 HydrophobicContact CZ-CG2 4.41Å; F321-L371 HydrophobicContact CD2-CB 4.04Å; F321-L371 HydrophobicContact CD2-CD1 4.48Å; F321-L371 HydrophobicContact CE2-CB 4.14Å; F321-L372 HydrophobicContact CD2-CD2 4.32Å; F321-L372 HydrophobicContact CE2-CD2 3.9Å; F321-L372 HydrophobicContact CE2-CG 3.82Å; F321-L372 HydrophobicContact CZ-CD2 4.05Å; F321-L372 HydrophobicContact CZ-CG 4.12Å; F321-Y376 HydrophobicContact CB-CD1 4.01Å; F321-Y376 HydrophobicContact CB-CD2 3.53Å; F321-Y376 HydrophobicContact CB-CE1 4.27Å; F321-Y376 HydrophobicContact CB-CE2 3.8Å; F321-Y376 HydrophobicContact CB-CG 3.62Å; F321-Y376 AromaticContact CD2-CD2 3.82Å; F321-Y376 HydrophobicContact CD2-CD2 3.82Å; F321-Y376 HydrophobicContact CD2-CE2 4.49Å; F321-Y376 HydrophobicContact CD2-CG 4.33Å; F321-Y376 HydrophobicContact CG-CD2 4.18Å; F321-Y376 HydrophobicContact CG-CG 4.41Å; F321-L379 HydrophobicContact CB-CD1 3.81Å; F321-L379 HydrophobicContact CD1-CD1 3.66Å; F321-L379 HydrophobicContact CD2-CD1 4.43Å; F321-L379 HydrophobicContact CE1-CD1 4.34Å; F321-L379 HydrophobicContact CG-CD1 3.72Å
322	C	95.4	Very high	81.9	Confident	52 Å²	52	40.6 Å²	40.6	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-52.8	171.4	-170.8	0	0	0	0	110.9	E260 E318 T320 L324 S325 F326 Y376	E260-C322 PolarHBondContact OE1-SG 2.91Å; E318-C322 VanDerWaalsContact O-CB 3.29Å; E318-C322 WeakPolarHBondContact O-CB 3.23Å; E318-C322 PolarHBondContact O-N 3.1Å; T320-C322 VanDerWaalsContact C-N 3.31Å; T320-C322 PolarHBondContact O-N 3.4Å; C322-L324 PolarHBondContact O-N 2.9Å; C322-S325 PolarHBondContact O-N 3.37Å; C322-S325 VanDerWaalsContact O-N 3.15Å; C322-F326 PolarHBondContact O-N 2.97Å; C322-Y376 HydrophobicContact CB-CE1 4.27Å
323	L	94.9	Very high	79.6	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-43.6	177.6	174.6	66.4	0	0	0	112.4	L259 E260 M294 S319 T320 S325 F326 P341	L259-L323 HydrophobicContact CB-CD1 3.8Å; L259-L323 HydrophobicContact CB-CD2 4.31Å; L259-L323 HydrophobicContact CD1-CD2 3.88Å; E260-L323 HydrophobicContact CG-CB 4.28Å; E260-L323 HydrophobicContact CG-CD1 3.65Å; E260-L323 WeakPolarHBondContact OE1-CA 3.48Å; E260-L323 PolarHBondContact OE1-N 2.93Å; M294-L323 HydrophobicContact CE-CD2 3.81Å; M294-L323 HydrophobicContact SD-CD2 4Å; S319-L323 PolarHBondContact O-N 3.36Å; T320-L323 PolarHBondContact O-N 3.01Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 2.7Å; L323-F326 WeakPolarHBondContact O-CB 3.38Å; L323-F326 PolarHBondContact O-N 3.22Å; L323-P341 HydrophobicContact CD1-CB 3.95Å; L323-P341 HydrophobicContact CD1-CG 3.69Å; L323-P341 HydrophobicContact CG-CB 4.04Å; L323-P341 HydrophobicContact CG-CG 4.25Å
324	L	94.3	Very high	77.2	Confident	17 Å²	17	49.7 Å²	49.7	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-75.4	-21.3	-179.7	-64.2	-178.9	0	0	0	113.2	T320 F321 C322 F326 V342 L345 W354 L379	T320-L324 HydrophobicContact CG2-CD1 3.92Å; T320-L324 HydrophobicContact CG2-CG 4.39Å; T320-L324 WeakPolarHBondContact O-CG 3.39Å; T320-L324 PolarHBondContact O-N 3.33Å; F321-L324 PolarHBondContact O-N 3.09Å; C322-L324 PolarHBondContact O-N 2.9Å; L324-F326 PolarHBondContact O-N 2.98Å; L324-V342 HydrophobicContact CD2-CB 4.25Å; L324-L345 HydrophobicContact CD1-CD2 3.94Å; L324-L345 HydrophobicContact CD2-CD2 3.67Å; L324-L345 HydrophobicContact CG-CD2 4.42Å; L324-W354 HydrophobicContact CD1-CH2 3.98Å; L324-W354 HydrophobicContact CD1-CZ2 3.86Å; L324-L379 HydrophobicContact CB-CD2 3.69Å; L324-L379 VanDerWaalsContact O-CD2 3.27Å; L324-L379 WeakPolarHBondContact O-CD2 3.22Å
325	S	91.5	Very high	75	Confident	23 Å²	23	54.1 Å²	54.1	16%	0.161	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.5	174	-59.3	0	0	0	0	111.9	F321 C322 L323 H327 Y376 L379	F321-S325 WeakPolarHBondContact O-CB 3.41Å; F321-S325 PolarHBondContact O-N 2.94Å; F321-S325 PolarHBondContact O-OG 2.95Å; C322-S325 PolarHBondContact O-N 3.37Å; C322-S325 VanDerWaalsContact O-N 3.15Å; L323-S325 VanDerWaalsContact C-N 3.3Å; L323-S325 PolarHBondContact O-N 2.7Å; S325-H327 VanDerWaalsContact C-ND1 3.33Å; S325-H327 PolarHBondContact O-N 3.37Å; S325-H327 VanDerWaalsContact O-N 3.16Å; S325-H327 PolarHBondContact O-ND1 2.95Å; S325-Y376 VanDerWaalsContact OG-CD1 3.29Å; S325-Y376 WeakPolarHBondContact OG-CD1 3.34Å; S325-L379 WeakPolarHBondContact OG-CD2 3.48Å; S325-L379 VanDerWaalsContact OG-CG 3.31Å; S325-L379 WeakPolarHBondContact OG-CG 3.45Å
326	F	82.7	Confident	73.1	Confident	26 Å²	26	57.8 Å²	57.8	11%	0.114	35%	0.349	C	S	.	.			trans	-61.3	115.5	175.6	-175.3	-93.9	0	0	0	111	F263 L264 C322 L323 L324 P341	F263-F326 HydrophobicContact CB-CD1 4.3Å; F263-F326 HydrophobicContact CB-CE1 3.85Å; F263-F326 HydrophobicContact CB-CZ 4.03Å; L264-F326 HydrophobicContact CD1-CE2 4.43Å; L264-F326 HydrophobicContact CD2-CE2 3.49Å; L264-F326 VanDerWaalsContact CD2-CE2 3.49Å; L264-F326 HydrophobicContact CD2-CZ 3.75Å; L264-F326 HydrophobicContact CG-CE2 3.55Å; L264-F326 HydrophobicContact CG-CZ 3.93Å; C322-F326 PolarHBondContact O-N 2.97Å; L323-F326 WeakPolarHBondContact O-CB 3.38Å; L323-F326 PolarHBondContact O-N 3.22Å; L324-F326 PolarHBondContact O-N 2.98Å; F326-P341 HydrophobicContact CB-CG 4.08Å; F326-P341 HydrophobicContact CD1-CG 4.35Å; F326-P341 HydrophobicContact CG-CG 4.39Å
327	H	74.9	Confident	72	Confident	75 Å²	75	62.4 Å²	62.4	35%	0.347	37%	0.368	S	S	.	.			trans	-130	135.9	173.9	-65.7	50.2	0	0	0	107.1	S325 D329 S382	S325-H327 VanDerWaalsContact C-ND1 3.33Å; S325-H327 PolarHBondContact O-N 3.37Å; S325-H327 VanDerWaalsContact O-N 3.16Å; S325-H327 PolarHBondContact O-ND1 2.95Å; H327-D329 PolarHBondContact O-N 3.06Å; H327-S382 PolarHBondContact NE2-OG 3.18Å
328	H	65.3	Low	71.3	Confident	47 Å²	47	63.2 Å²	63.2	22%	0.218	37%	0.373	C	S	.	.			trans	-76	113.9	173.3	-152.4	-28.8	0	0	0	108.5	H330 T338	H328-H330 VanDerWaalsContact C-N 3.35Å; H328-H330 PolarHBondContact O-N 3.23Å; H328-T338 HydrophobicContact CB-CG2 4.32Å
329	D	50.8	Low	70.9	Confident	148 Å²	148	60.7 Å²	60.7	79%	0.791	36%	0.362	S	S	*	.			trans	-67.2	95.8	172.2	-98.5	-18.2	0	0	0	108.7	H327 G331	H327-D329 PolarHBondContact O-N 3.06Å; D329-G331 PolarHBondContact O-N 3.41Å
330	H	47.9	Very low	70.6	Confident	96 Å²	96	61.5 Å²	61.5	44%	0.444	36%	0.364	S	S	.	.			trans	-80.5	104.3	164.4	-68.1	-70.5	0	0	0	107.6	H328 S332	H328-H330 VanDerWaalsContact C-N 3.35Å; H328-H330 PolarHBondContact O-N 3.23Å; H330-S332 PolarHBondContact O-N 3.26Å
331	G	35.9	Very low	70.4	Confident	65 Å²	65	61.5 Å²	61.5	67%	0.67	36%	0.364	S	S	*	.			trans	-47.2	128.4	152.1	0	0	0	0	0	108.1	D329	D329-G331 PolarHBondContact O-N 3.41Å
332	S	42.6	Very low	70.3	Confident	104 Å²	104	62.1 Å²	62.1	73%	0.727	37%	0.368	S	S	*	.	S	Bend	trans	-12.3	127.3	173	53	0	0	0	0	115.6	H330	H330-S332 PolarHBondContact O-N 3.26Å
333	T	41.7	Very low	70.2	Confident	152 Å²	152	60.3 Å²	60.3	93%	0.933	35%	0.354	S	S	*	.			trans	107.1	25.5	161	71.3	0	0	0	0	121
334	G	40.9	Very low	70.1	Confident	53 Å²	53	59.9 Å²	59.9	55%	0.546	35%	0.352	S	S	.	.			trans	-128.5	125	172.1	0	0	0	0	0	114.3	E336	G334-E336 VanDerWaalsContact C-N 3.31Å; G334-E336 PolarHBondContact O-N 3.12Å
335	T	47.4	Very low	70.2	Confident	150 Å²	150	59.4 Å²	59.4	92%	0.92	35%	0.349	S	S	*	.			trans	-80.3	5.8	-178.1	35.7	0	0	0	0	115.6
336	E	54.4	Low	70.4	Confident	121 Å²	121	58.3 Å²	58.3	57%	0.565	34%	0.342	S	S	*	.			trans	-96.1	114.1	-174.8	-67.6	-172.4	163.1	0	0	111.1	G334	G334-E336 VanDerWaalsContact C-N 3.31Å; G334-E336 PolarHBondContact O-N 3.12Å
337	K	71.3	Confident	70.9	Confident	96 Å²	96	58.9 Å²	58.9	42%	0.417	35%	0.346	S	S	.	.			trans	-68.6	144.9	169.4	-72	-175.3	179.4	-177.2	0	108.7	F270 E426	F270-K337 WeakPolarHBondContact CA-O 3.36Å; F270-K337 VanDerWaalsContact CB-C 3.43Å; F270-K337 HydrophobicContact CB-CB 3.7Å; F270-K337 WeakPolarHBondContact CB-O 3.44Å; F270-K337 HydrophobicContact CD1-CB 4.12Å; F270-K337 HydrophobicContact CD1-CD 4.32Å; F270-K337 HydrophobicContact CG-CB 4.05Å; F270-K337 PolarHBondContact N-O 3.28Å; K337-E426 IonicContact NZ-OE1 3.12Å; K337-E426 PolarHBondContact NZ-OE1 3.05Å
338	T	81	Confident	71.8	Confident	17 Å²	17	58 Å²	58	10%	0.104	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-101.3	150.6	173.2	52.4	0	0	0	0	111.3	H328 E340	H328-T338 HydrophobicContact CB-CG2 4.32Å; T338-E340 PolarHBondContact O-N 3.45Å
339	L	86.4	Confident	73.2	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	34%	0.335	C	S	.	.			trans	-74.2	111.5	172.7	-173.5	72	0	0	0	109.5	F263 L268 F270 I284 H343 L344 L425	F263-L339 WeakPolarHBondContact CD1-O 3.48Å; F263-L339 VanDerWaalsContact CE1-O 3.24Å; F263-L339 WeakPolarHBondContact CE1-O 3.33Å; L268-L339 HydrophobicContact CB-CB 3.9Å; L268-L339 HydrophobicContact CB-CD2 4.29Å; L268-L339 HydrophobicContact CD1-CD2 4.24Å; L268-L339 PolarHBondContact O-N 2.98Å; F270-L339 HydrophobicContact CD2-CD1 3.99Å; F270-L339 HydrophobicContact CE2-CD1 4.21Å; I284-L339 HydrophobicContact CD1-CD2 4.07Å; L339-H343 HydrophobicContact CD1-CB 3.7Å; L339-L344 HydrophobicContact CD2-CD2 4.16Å; L339-L344 HydrophobicContact CD2-CG 4.49Å; L339-L425 HydrophobicContact CD1-CD1 4.12Å
340	E	90.3	Very high	75.3	Confident	33 Å²	33	51 Å²	51	15%	0.154	31%	0.307	C	S	.	.			trans	-94.6	159.8	178	-62.1	169.5	174.7	0	0	112.6	T338 V342 H343	T338-E340 PolarHBondContact O-N 3.45Å; E340-V342 HydrophobicContact CB-CG1 4.27Å; E340-V342 PolarHBondContact O-N 3.24Å; E340-V342 VanDerWaalsContact O-N 3.16Å; E340-H343 WeakPolarHBondContact CB-ND1 3.36Å; E340-H343 PolarHBondContact N-ND1 3.41Å; E340-H343 WeakPolarHBondContact O-CB 3.27Å; E340-H343 PolarHBondContact O-N 3.29Å; E340-H343 PolarHBondContact O-ND1 3.4Å; E340-H343 VanDerWaalsContact O-ND1 3.16Å; E340-H343 IonicContact OE2-CE1 3.05Å
341	P	93	Very high	77.5	Confident	2 Å²	2	49 Å²	49	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-52.4	-37.5	178.8	-27.9	34.3	0	0	0	114.4	F263 L323 F326 H343 L344 L345	F263-P341 HydrophobicContact CD1-CG 4.3Å; F263-P341 HydrophobicContact CD2-CB 4.48Å; F263-P341 HydrophobicContact CD2-CG 3.7Å; F263-P341 HydrophobicContact CE1-CG 4.37Å; F263-P341 HydrophobicContact CE2-CB 4.11Å; F263-P341 HydrophobicContact CE2-CG 3.79Å; F263-P341 HydrophobicContact CG-CG 3.97Å; F263-P341 HydrophobicContact CZ-CB 4.31Å; F263-P341 HydrophobicContact CZ-CG 4.13Å; L323-P341 HydrophobicContact CD1-CB 3.95Å; L323-P341 HydrophobicContact CD1-CG 3.69Å; L323-P341 HydrophobicContact CG-CB 4.04Å; L323-P341 HydrophobicContact CG-CG 4.25Å; F326-P341 HydrophobicContact CB-CG 4.08Å; F326-P341 HydrophobicContact CD1-CG 4.35Å; F326-P341 HydrophobicContact CG-CG 4.39Å; P341-H343 PolarHBondContact O-N 3.23Å; P341-L344 PolarHBondContact O-N 3.26Å; P341-L345 PolarHBondContact O-N 3.1Å
342	V	93.5	Very high	80.4	Confident	14 Å²	14	45.9 Å²	45.9	9%	0.085	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-30.4	-178.6	70.9	0	0	0	0	112.8	L324 E340 L345 S346 F429	L324-V342 HydrophobicContact CD2-CB 4.25Å; E340-V342 HydrophobicContact CB-CG1 4.27Å; E340-V342 PolarHBondContact O-N 3.24Å; E340-V342 VanDerWaalsContact O-N 3.16Å; V342-L345 PolarHBondContact O-N 3.28Å; V342-S346 VanDerWaalsContact O-CB 3.29Å; V342-S346 WeakPolarHBondContact O-CB 3.41Å; V342-S346 PolarHBondContact O-N 2.97Å; V342-S346 PolarHBondContact O-OG 3.43Å; V342-F429 HydrophobicContact CB-CE2 4.26Å; V342-F429 HydrophobicContact CB-CZ 4.48Å; V342-F429 HydrophobicContact CG1-CD1 4.46Å; V342-F429 HydrophobicContact CG1-CD2 4.29Å; V342-F429 HydrophobicContact CG1-CE1 3.95Å; V342-F429 HydrophobicContact CG1-CE2 3.81Å; V342-F429 HydrophobicContact CG1-CZ 3.61Å; V342-F429 HydrophobicContact CG2-CD2 3.86Å; V342-F429 HydrophobicContact CG2-CE2 3.41Å; V342-F429 VanDerWaalsContact CG2-CE2 3.41Å; V342-F429 HydrophobicContact CG2-CZ 4.05Å
343	H	92.7	Very high	83	Confident	14 Å²	14	43.3 Å²	43.3	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-45.7	177.3	-57.7	101.5	0	0	0	111	F270 L339 E340 P341 S346 L347 F429	F270-H343 AromaticContact CE2-CD2 3.49Å; F270-H343 VanDerWaalsContact CE2-CD2 3.49Å; F270-H343 WeakPolarHBondContact CE2-CD2 3.39Å; F270-H343 AromaticContact CE2-CE1 3.95Å; F270-H343 AromaticContact CE2-CG 3.88Å; F270-H343 AromaticContact CE2-NE2 3.52Å; L339-H343 HydrophobicContact CD1-CB 3.7Å; E340-H343 WeakPolarHBondContact CB-ND1 3.36Å; E340-H343 PolarHBondContact N-ND1 3.41Å; E340-H343 WeakPolarHBondContact O-CB 3.27Å; E340-H343 PolarHBondContact O-N 3.29Å; E340-H343 PolarHBondContact O-ND1 3.4Å; E340-H343 VanDerWaalsContact O-ND1 3.16Å; E340-H343 IonicContact OE2-CE1 3.05Å; P341-H343 PolarHBondContact O-N 3.23Å; H343-S346 PolarHBondContact O-N 3.39Å; H343-S346 PolarHBondContact O-OG 3.31Å; H343-L347 PolarHBondContact O-N 2.97Å; H343-F429 AromaticContact CD2-CD1 3.82Å; H343-F429 AromaticContact NE2-CD1 3.68Å
344	L	93.9	Very high	85.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-37.8	177	-63.5	-168.1	0	0	0	111.8	F263 I284 L287 L288 I291 L339 P341 S346 L347 L348	F263-L344 HydrophobicContact CZ-CD1 3.84Å; F263-L344 HydrophobicContact CZ-CG 4.4Å; I284-L344 HydrophobicContact CG2-CD2 4.4Å; L287-L344 HydrophobicContact CB-CD1 3.87Å; L287-L344 HydrophobicContact CD1-CD1 4.4Å; L288-L344 HydrophobicContact CD2-CB 4.05Å; L288-L344 HydrophobicContact CD2-CD1 4.49Å; L288-L344 HydrophobicContact CD2-CD2 4.19Å; L288-L344 HydrophobicContact CD2-CG 4.48Å; I291-L344 HydrophobicContact CD1-CB 3.58Å; I291-L344 HydrophobicContact CD1-CD1 3.87Å; I291-L344 HydrophobicContact CD1-CG 4.31Å; L339-L344 HydrophobicContact CD2-CD2 4.16Å; L339-L344 HydrophobicContact CD2-CG 4.49Å; P341-L344 PolarHBondContact O-N 3.26Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.78Å; L344-L347 HydrophobicContact CD2-CD1 4.48Å; L344-L347 PolarHBondContact O-N 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.25Å
345	L	96.1	Very high	88.2	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-41.7	173.5	-179.6	60.6	0	0	0	111.6	I291 N295 L324 P341 V342 L347 L348 D349 W354	I291-L345 HydrophobicContact CG2-CB 4.12Å; I291-L345 HydrophobicContact CG2-CD1 4.01Å; N295-L345 HydrophobicContact CB-CD1 3.89Å; L324-L345 HydrophobicContact CD1-CD2 3.94Å; L324-L345 HydrophobicContact CD2-CD2 3.67Å; L324-L345 HydrophobicContact CG-CD2 4.42Å; P341-L345 PolarHBondContact O-N 3.1Å; V342-L345 PolarHBondContact O-N 3.28Å; L345-L347 VanDerWaalsContact C-N 3.25Å; L345-L347 PolarHBondContact O-N 3.37Å; L345-L348 PolarHBondContact O-N 3.22Å; L345-L348 VanDerWaalsContact O-N 3.09Å; L345-D349 PolarHBondContact O-N 2.74Å; L345-W354 HydrophobicContact CD2-CZ2 4.4Å
346	S	95.5	Very high	90.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-26.7	179.7	75.8	0	0	0	0	113.5	V342 H343 L344 I350 F429	V342-S346 VanDerWaalsContact O-CB 3.29Å; V342-S346 WeakPolarHBondContact O-CB 3.41Å; V342-S346 PolarHBondContact O-N 2.97Å; V342-S346 PolarHBondContact O-OG 3.43Å; H343-S346 PolarHBondContact O-N 3.39Å; H343-S346 PolarHBondContact O-OG 3.31Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.78Å; S346-I350 WeakPolarHBondContact O-CA 3.27Å; S346-I350 WeakPolarHBondContact O-CB 3.46Å; S346-I350 PolarHBondContact O-N 2.89Å; S346-F429 PolarHBondContact OG-N 3.39Å
347	L	93.2	Very high	92.4	Very high	39 Å²	39	27.6 Å²	27.6	20%	0.204	14%	0.136	C	C	.	.	H	α-helix	trans	-72.2	-38.8	170.9	-72	178.2	0	0	0	112.3	H343 L344 L345 F420 L425	H343-L347 PolarHBondContact O-N 2.97Å; L344-L347 HydrophobicContact CD2-CD1 4.48Å; L344-L347 PolarHBondContact O-N 3.3Å; L345-L347 VanDerWaalsContact C-N 3.25Å; L345-L347 PolarHBondContact O-N 3.37Å; L347-F420 HydrophobicContact CD1-CD2 4.2Å; L347-F420 HydrophobicContact CD1-CE2 4.42Å; L347-F420 HydrophobicContact CD1-CG 4.36Å; L347-F420 HydrophobicContact CD2-CD1 3.77Å; L347-F420 HydrophobicContact CD2-CE1 3.8Å; L347-F420 HydrophobicContact CD2-CG 4.17Å; L347-F420 HydrophobicContact CD2-CZ 4.22Å; L347-L425 HydrophobicContact CD1-CD2 3.55Å; L347-L425 HydrophobicContact CD2-CD2 4.04Å; L347-L425 HydrophobicContact CG-CD2 3.87Å
348	L	94.1	Very high	93.5	Very high	55 Å²	55	23 Å²	23	29%	0.288	12%	0.116	S	C	.	.	H	α-helix	trans	-79.3	-31.1	-177.2	-69.3	169.2	0	0	0	113.2	L288 I291 R292 L344 L345	L288-L348 HydrophobicContact CD2-CD1 3.84Å; L288-L348 HydrophobicContact CD2-CD2 4.15Å; L288-L348 HydrophobicContact CD2-CG 3.89Å; I291-L348 HydrophobicContact CB-CD1 3.97Å; I291-L348 HydrophobicContact CG2-CD1 3.7Å; R292-L348 HydrophobicContact CB-CD1 3.98Å; R292-L348 HydrophobicContact CB-CD2 4.27Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.25Å; L345-L348 PolarHBondContact O-N 3.22Å; L345-L348 VanDerWaalsContact O-N 3.09Å
349	D	95.5	Very high	94.1	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	11%	0.111	C	C	.	.			trans	-142.3	71.7	179.7	-174.3	12	0	0	0	111.2	N295 K299 L345 K351 A352 T353 W354 H432	N295-D349 PolarHBondContact OD1-OD2 3.23Å; K299-D349 WeakPolarHBondContact CE-OD2 3.48Å; K299-D349 IonicContact NZ-OD1 2.63Å; K299-D349 IonicContact NZ-OD2 3.35Å; L345-D349 PolarHBondContact O-N 2.74Å; D349-K351 VanDerWaalsContact C-N 3.25Å; D349-K351 PolarHBondContact O-N 3.47Å; D349-A352 PolarHBondContact O-N 3.36Å; D349-T353 VanDerWaalsContact CG-N 3.27Å; D349-T353 WeakPolarHBondContact OD1-CB 3.47Å; D349-T353 WeakPolarHBondContact OD1-CG2 3.37Å; D349-T353 PolarHBondContact OD1-N 3.21Å; D349-T353 PolarHBondContact OD1-OG1 2.7Å; D349-T353 PolarHBondContact OD2-N 3.41Å; D349-T353 PolarHBondContact OD2-OG1 2.86Å; D349-W354 VanDerWaalsContact OD2-CD1 3.25Å; D349-W354 PolarHBondContact OD2-N 3.01Å; D349-W354 VanDerWaalsContact OD2-N 3.07Å; D349-H432 PolarHBondContact O-CE1 3.37Å; D349-H432 VanDerWaalsContact O-CE1 3.23Å; D349-H432 PolarHBondContact O-ND1 3.12Å
350	I	94.5	Very high	94.3	Very high	41 Å²	41	28.9 Å²	28.9	21%	0.21	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.9	-173.2	-163.7	169.5	0	0	0	114.1	S346 A352 V431 H432 L491	S346-I350 WeakPolarHBondContact O-CA 3.27Å; S346-I350 WeakPolarHBondContact O-CB 3.46Å; S346-I350 PolarHBondContact O-N 2.89Å; I350-A352 VanDerWaalsContact C-N 3.33Å; I350-V431 HydrophobicContact CD1-CB 4.27Å; I350-V431 HydrophobicContact CD1-CG1 4.36Å; I350-V431 HydrophobicContact CD1-CG2 4.47Å; I350-V431 HydrophobicContact CG1-CB 3.86Å; I350-V431 HydrophobicContact CG1-CG1 3.8Å; I350-H432 WeakPolarHBondContact O-CA 3.25Å; I350-H432 PolarHBondContact O-N 3.11Å; I350-L491 HydrophobicContact CD1-CD1 4.05Å; I350-L491 HydrophobicContact CD1-CD2 4.13Å; I350-L491 HydrophobicContact CG2-CD2 3.98Å
351	K	94.4	Very high	94.1	Very high	53 Å²	53	28.7 Å²	28.7	23%	0.23	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.2	179.3	-69.4	-157.9	172	-156.8	0	113.9	D349 T353 N356 C435 S490 L491 E499	D349-K351 VanDerWaalsContact C-N 3.25Å; D349-K351 PolarHBondContact O-N 3.47Å; K351-T353 HydrophobicContact CB-CG2 4.32Å; K351-T353 PolarHBondContact O-N 3.5Å; K351-N356 PolarHBondContact O-ND2 3.04Å; K351-C435 WeakPolarHBondContact O-CB 3.33Å; K351-S490 PolarHBondContact NZ-O 3.15Å; K351-L491 HydrophobicContact CG-CD2 4.43Å; K351-E499 IonicContact NZ-OE1 3.46Å; K351-E499 PolarHBondContact NZ-OE1 3.19Å; K351-E499 VanDerWaalsContact NZ-OE1 3.12Å; K351-E499 IonicContact NZ-OE2 3.68Å; K351-E499 PolarHBondContact NZ-OE2 2.92Å
352	A	96.6	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.			trans	49	45.1	-179.1	0	0	0	0	0	112.7	D349 I350 W354 F355 N356 C435 I436	D349-A352 PolarHBondContact O-N 3.36Å; I350-A352 VanDerWaalsContact C-N 3.33Å; A352-W354 PolarHBondContact O-N 3.11Å; A352-F355 HydrophobicContact CB-CB 4.31Å; A352-F355 PolarHBondContact O-N 3.2Å; A352-N356 PolarHBondContact O-N 2.88Å; A352-N356 VanDerWaalsContact O-N 3.1Å; A352-C435 HydrophobicContact CB-CB 4.07Å; A352-I436 HydrophobicContact CB-CD1 4.4Å; A352-I436 HydrophobicContact CB-CG1 3.72Å
353	T	95.8	Very high	93.6	Very high	50 Å²	50	39.3 Å²	39.3	31%	0.307	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-31.2	-176.8	58.6	0	0	0	0	112.6	K299 D349 K351 N356 K357	K299-T353 WeakPolarHBondContact CE-OG1 3.49Å; K299-T353 PolarHBondContact NZ-OG1 2.83Å; D349-T353 VanDerWaalsContact CG-N 3.27Å; D349-T353 WeakPolarHBondContact OD1-CB 3.47Å; D349-T353 WeakPolarHBondContact OD1-CG2 3.37Å; D349-T353 PolarHBondContact OD1-N 3.21Å; D349-T353 PolarHBondContact OD1-OG1 2.7Å; D349-T353 PolarHBondContact OD2-N 3.41Å; D349-T353 PolarHBondContact OD2-OG1 2.86Å; K351-T353 HydrophobicContact CB-CG2 4.32Å; K351-T353 PolarHBondContact O-N 3.5Å; T353-N356 PolarHBondContact O-N 3.49Å; T353-K357 WeakPolarHBondContact O-CG 3.49Å; T353-K357 PolarHBondContact O-N 2.85Å; T353-K357 VanDerWaalsContact O-N 3.12Å
354	W	95.7	Very high	93.7	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-50.2	170.5	70	-93.9	0	0	0	111.8	Q298 K299 T320 F321 L324 L345 D349 A352 N356 K357 W358 H432 I436	Q298-W354 HydrophobicContact CB-CB 3.98Å; K299-W354 HydrophobicContact CG-CB 4.01Å; T320-W354 HydrophobicContact CG2-CZ3 4.36Å; F321-W354 HydrophobicContact CE1-CH2 4.04Å; F321-W354 HydrophobicContact CE1-CZ3 4.14Å; L324-W354 HydrophobicContact CD1-CH2 3.98Å; L324-W354 HydrophobicContact CD1-CZ2 3.86Å; L345-W354 HydrophobicContact CD2-CZ2 4.4Å; D349-W354 VanDerWaalsContact OD2-CD1 3.25Å; D349-W354 PolarHBondContact OD2-N 3.01Å; D349-W354 VanDerWaalsContact OD2-N 3.07Å; A352-W354 PolarHBondContact O-N 3.11Å; W354-N356 PolarHBondContact O-N 3.46Å; W354-K357 PolarHBondContact O-N 3.05Å; W354-W358 AromaticContact CE3-CD2 3.84Å; W354-W358 HydrophobicContact CE3-CD2 3.84Å; W354-W358 AromaticContact CE3-CE3 3.84Å; W354-W358 HydrophobicContact CE3-CE3 3.84Å; W354-W358 HydrophobicContact CE3-CG 4.41Å; W354-W358 HydrophobicContact CE3-CH2 4.28Å; W354-W358 HydrophobicContact CE3-CZ2 4.32Å; W354-W358 HydrophobicContact CE3-CZ3 4.03Å; W354-W358 HydrophobicContact CZ3-CD2 4.03Å; W354-W358 AromaticContact CZ3-CE3 3.52Å; W354-W358 HydrophobicContact CZ3-CE3 3.52Å; W354-W358 HydrophobicContact CZ3-CH2 4.14Å; W354-W358 AromaticContact CZ3-CZ3 3.55Å; W354-W358 HydrophobicContact CZ3-CZ3 3.55Å; W354-W358 PolarHBondContact O-N 3.11Å; W354-H432 AromaticContact NE1-CE1 3.35Å; W354-H432 PolarHBondContact NE1-CE1 2.95Å; W354-H432 AromaticContact NE1-NE2 3.45Å; W354-H432 PolarHBondContact NE1-NE2 3.07Å; W354-I436 HydrophobicContact CZ2-CD1 4.24Å
355	F	97.3	Very high	93.7	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-37	-177.9	-170.8	-103.5	0	0	0	111.4	A352 K357 W358 M359 V368 L372 I436 K439	A352-F355 HydrophobicContact CB-CB 4.31Å; A352-F355 PolarHBondContact O-N 3.2Å; F355-K357 VanDerWaalsContact C-N 3.32Å; F355-K357 PolarHBondContact O-N 3.12Å; F355-W358 WeakPolarHBondContact O-CB 3.42Å; F355-W358 PolarHBondContact O-N 3.43Å; F355-M359 HydrophobicContact CD1-CG 3.85Å; F355-M359 HydrophobicContact CD2-CG 4.49Å; F355-M359 HydrophobicContact CE1-CE 4.49Å; F355-M359 HydrophobicContact CE1-CG 3.51Å; F355-M359 HydrophobicContact CE1-SD 4.17Å; F355-M359 HydrophobicContact CE2-CG 4.2Å; F355-M359 HydrophobicContact CE2-SD 4.31Å; F355-M359 HydrophobicContact CG-CG 4.34Å; F355-M359 HydrophobicContact CZ-CE 4.37Å; F355-M359 HydrophobicContact CZ-CG 3.7Å; F355-M359 HydrophobicContact CZ-SD 3.8Å; F355-M359 WeakPolarHBondContact O-CB 3.48Å; F355-M359 VanDerWaalsContact O-CG 3.27Å; F355-M359 WeakPolarHBondContact O-CG 3.39Å; F355-M359 PolarHBondContact O-N 3.3Å; F355-V368 HydrophobicContact CE2-CG1 3.78Å; F355-V368 HydrophobicContact CZ-CG1 4.23Å; F355-L372 HydrophobicContact CE2-CD1 4.36Å; F355-L372 HydrophobicContact CZ-CD1 4.31Å; F355-I436 HydrophobicContact CB-CG1 4.32Å; F355-I436 HydrophobicContact CD1-CB 4.29Å; F355-I436 HydrophobicContact CD1-CG1 4.13Å; F355-I436 HydrophobicContact CD1-CG2 4.14Å; F355-I436 HydrophobicContact CE1-CB 4.44Å; F355-I436 HydrophobicContact CE1-CG2 3.88Å; F355-I436 HydrophobicContact CG-CG1 4.19Å; F355-I436 HydrophobicContact CZ-CG2 4.13Å; F355-K439 HydrophobicContact CD1-CB 4.18Å; F355-K439 HydrophobicContact CD1-CG 4.43Å; F355-K439 HydrophobicContact CE1-CB 4.22Å
356	N	94.6	Very high	93.6	Very high	49 Å²	49	42.5 Å²	42.5	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-43.2	174.9	-74.4	-30.7	0	0	0	112.3	K351 A352 T353 W354 H360 K439	K351-N356 PolarHBondContact O-ND2 3.04Å; A352-N356 PolarHBondContact O-N 2.88Å; A352-N356 VanDerWaalsContact O-N 3.1Å; T353-N356 PolarHBondContact O-N 3.49Å; W354-N356 PolarHBondContact O-N 3.46Å; N356-H360 PolarHBondContact O-N 3.44Å; N356-K439 WeakPolarHBondContact OD1-CB 3.48Å; N356-K439 WeakPolarHBondContact OD1-CD 3.45Å; N356-K439 VanDerWaalsContact OD1-CG 3.27Å; N356-K439 WeakPolarHBondContact OD1-CG 3.45Å
357	K	94.2	Very high	93.7	Very high	90 Å²	90	42.5 Å²	42.5	39%	0.391	21%	0.205	S	C	.	.	H	α-helix	trans	-65.9	-41.2	175.6	-70.1	-172.7	179.7	-167.3	0	111.4	K299 T302 T353 W354 F355 M359 H360	K299-K357 HydrophobicContact CB-CD 4.19Å; K299-K357 WeakPolarHBondContact O-CD 3.46Å; K299-K357 WeakPolarHBondContact O-CE 3.18Å; K299-K357 PolarHBondContact O-NZ 2.75Å; T302-K357 HydrophobicContact CG2-CB 3.88Å; T353-K357 WeakPolarHBondContact O-CG 3.49Å; T353-K357 PolarHBondContact O-N 2.85Å; T353-K357 VanDerWaalsContact O-N 3.12Å; W354-K357 PolarHBondContact O-N 3.05Å; F355-K357 VanDerWaalsContact C-N 3.32Å; F355-K357 PolarHBondContact O-N 3.12Å; K357-M359 VanDerWaalsContact C-N 3.3Å; K357-M359 PolarHBondContact O-N 3.33Å; K357-H360 WeakPolarHBondContact O-CB 3.48Å; K357-H360 PolarHBondContact O-N 3.49Å
358	W	95.1	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-38.6	178.8	-72.5	18.7	0	0	0	113	Q298 T302 W305 I317 T320 F321 W354 F355 H360 S364 V368	Q298-W358 HydrophobicContact CB-CZ2 3.98Å; Q298-W358 HydrophobicContact CG-CH2 4.39Å; Q298-W358 HydrophobicContact CG-CZ2 3.72Å; Q298-W358 PolarHBondContact O-NE1 3.14Å; T302-W358 VanDerWaalsContact CG2-CD1 3.41Å; T302-W358 HydrophobicContact CG2-CG 4.42Å; W305-W358 HydrophobicContact CH2-CB 3.84Å; W305-W358 AromaticContact CH2-CD1 3.29Å; W305-W358 AromaticContact CH2-CD2 3.79Å; W305-W358 HydrophobicContact CH2-CD2 3.79Å; W305-W358 AromaticContact CH2-CE2 3.88Å; W305-W358 AromaticContact CH2-CG 3.38Å; W305-W358 HydrophobicContact CH2-CG 3.38Å; W305-W358 AromaticContact CH2-NE1 3.57Å; W305-W358 AromaticContact CZ2-CD1 3.88Å; W305-W358 HydrophobicContact CZ2-CD2 4.15Å; W305-W358 AromaticContact CZ2-CE2 3.82Å; W305-W358 HydrophobicContact CZ2-CG 4.15Å; W305-W358 HydrophobicContact CZ2-CZ2 4.35Å; W305-W358 AromaticContact CZ2-NE1 3.65Å; W305-W358 HydrophobicContact CZ3-CB 4.37Å; W305-W358 HydrophobicContact CZ3-CG 4.27Å; I317-W358 HydrophobicContact CB-CH2 4.3Å; I317-W358 HydrophobicContact CB-CZ3 4.07Å; I317-W358 HydrophobicContact CG1-CE3 4.12Å; I317-W358 HydrophobicContact CG1-CH2 3.92Å; I317-W358 HydrophobicContact CG1-CZ2 4.45Å; I317-W358 HydrophobicContact CG1-CZ3 3.75Å; I317-W358 HydrophobicContact CG2-CE3 4.45Å; I317-W358 HydrophobicContact CG2-CZ3 3.85Å; T320-W358 HydrophobicContact CG2-CH2 3.96Å; T320-W358 HydrophobicContact CG2-CZ3 4.33Å; F321-W358 HydrophobicContact CE1-CZ3 4.01Å; F321-W358 HydrophobicContact CZ-CZ3 4.29Å; W354-W358 AromaticContact CE3-CD2 3.84Å; W354-W358 HydrophobicContact CE3-CD2 3.84Å; W354-W358 AromaticContact CE3-CE3 3.84Å; W354-W358 HydrophobicContact CE3-CE3 3.84Å; W354-W358 HydrophobicContact CE3-CG 4.41Å; W354-W358 HydrophobicContact CE3-CH2 4.28Å; W354-W358 HydrophobicContact CE3-CZ2 4.32Å; W354-W358 HydrophobicContact CE3-CZ3 4.03Å; W354-W358 HydrophobicContact CZ3-CD2 4.03Å; W354-W358 AromaticContact CZ3-CE3 3.52Å; W354-W358 HydrophobicContact CZ3-CE3 3.52Å; W354-W358 HydrophobicContact CZ3-CH2 4.14Å; W354-W358 AromaticContact CZ3-CZ3 3.55Å; W354-W358 HydrophobicContact CZ3-CZ3 3.55Å; W354-W358 PolarHBondContact O-N 3.11Å; F355-W358 WeakPolarHBondContact O-CB 3.42Å; F355-W358 PolarHBondContact O-N 3.43Å; W358-H360 VanDerWaalsContact C-N 3.34Å; W358-S364 WeakPolarHBondContact O-CB 3.4Å; W358-S364 PolarHBondContact O-OG 3.46Å; W358-V368 HydrophobicContact CB-CG2 4.34Å; W358-V368 HydrophobicContact CE3-CG2 3.87Å
359	M	94.6	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-80.5	-13.7	-178.9	-67.3	-63.7	-76.5	0	0	113.7	F355 K357 R365 V368 L369 K439 L440 Y443	F355-M359 HydrophobicContact CD1-CG 3.85Å; F355-M359 HydrophobicContact CD2-CG 4.49Å; F355-M359 HydrophobicContact CE1-CE 4.49Å; F355-M359 HydrophobicContact CE1-CG 3.51Å; F355-M359 HydrophobicContact CE1-SD 4.17Å; F355-M359 HydrophobicContact CE2-CG 4.2Å; F355-M359 HydrophobicContact CE2-SD 4.31Å; F355-M359 HydrophobicContact CG-CG 4.34Å; F355-M359 HydrophobicContact CZ-CE 4.37Å; F355-M359 HydrophobicContact CZ-CG 3.7Å; F355-M359 HydrophobicContact CZ-SD 3.8Å; F355-M359 WeakPolarHBondContact O-CB 3.48Å; F355-M359 VanDerWaalsContact O-CG 3.27Å; F355-M359 WeakPolarHBondContact O-CG 3.39Å; F355-M359 PolarHBondContact O-N 3.3Å; K357-M359 VanDerWaalsContact C-N 3.3Å; K357-M359 PolarHBondContact O-N 3.33Å; M359-R365 HydrophobicContact CE-CG 3.94Å; M359-R365 WeakPolarHBondContact O-CD 3.47Å; M359-R365 PolarHBondContact O-NH1 3.27Å; M359-R365 HydrophobicContact SD-CB 4.45Å; M359-R365 HydrophobicContact SD-CG 3.94Å; M359-V368 HydrophobicContact SD-CB 4.3Å; M359-V368 HydrophobicContact SD-CG1 3.67Å; M359-L369 HydrophobicContact CE-CD1 4.47Å; M359-L369 HydrophobicContact CE-CD2 3.92Å; M359-L369 HydrophobicContact CE-CG 4.23Å; M359-K439 HydrophobicContact CB-CG 3.76Å; M359-K439 HydrophobicContact CG-CG 4.05Å; M359-L440 HydrophobicContact CE-CD1 4.28Å; M359-Y443 HydrophobicContact CB-CE2 3.96Å; M359-Y443 HydrophobicContact CE-CD2 3.63Å; M359-Y443 HydrophobicContact CE-CE2 4.05Å; M359-Y443 HydrophobicContact CE-CG 4.49Å; M359-Y443 VanDerWaalsContact O-CZ 3.26Å; M359-Y443 PolarHBondContact O-OH 3.43Å
360	H	89.6	Confident	94.1	Very high	145 Å²	145	41.1 Å²	41.1	67%	0.671	19%	0.194	S	C	*	.	H	α-helix	trans	-64.4	-57.4	-177.7	-175.7	-97.2	0	0	0	112	N356 K357 W358 R365	N356-H360 PolarHBondContact O-N 3.44Å; K357-H360 WeakPolarHBondContact O-CB 3.48Å; K357-H360 PolarHBondContact O-N 3.49Å; W358-H360 VanDerWaalsContact C-N 3.34Å; H360-R365 PolarHBondContact O-NH1 2.94Å; H360-R365 VanDerWaalsContact O-NH1 3.12Å
361	G	86.5	Confident	94.2	Very high	29 Å²	29	39.7 Å²	39.7	30%	0.299	19%	0.187	S	C	.	.	S	Bend	trans	-75.6	142.3	-179.8	0	0	0	0	0	113.1	S364 R365	G361-S364 PolarHBondContact O-OG 2.7Å; G361-R365 WeakPolarHBondContact O-CB 3.3Å; G361-R365 PolarHBondContact O-N 3.28Å; G361-R365 VanDerWaalsContact O-N 3.13Å
362	Y	87.1	Confident	94.3	Very high	165 Å²	165	37.5 Å²	37.5	65%	0.647	18%	0.177	S	C	*	.	H	α-helix	trans	-62.5	-42.4	177.9	179.2	-92.9	0	0	0	112.5	S364 R365 T366	Y362-S364 PolarHBondContact O-N 3.09Å; Y362-R365 PolarHBondContact O-N 3.49Å; Y362-T366 PolarHBondContact O-N 3.49Å; Y362-T366 VanDerWaalsContact O-N 3.12Å; Y362-T366 PolarHBondContact O-OG1 3.35Å
363	Y	89.5	Confident	94.3	Very high	74 Å²	74	43.1 Å²	43.1	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-55.6	-54.8	-176.3	-178.1	-136.8	0	0	0	111.8	W305 I306 H308 E310 M313	W305-Y363 HydrophobicContact CB-CD1 4.43Å; W305-Y363 HydrophobicContact CB-CE1 4.49Å; W305-Y363 WeakPolarHBondContact O-CE1 2.93Å; I306-Y363 HydrophobicContact CG1-CD1 4.27Å; H308-Y363 PolarHBondContact O-OH 3.44Å; H308-Y363 VanDerWaalsContact O-OH 3.08Å; E310-Y363 WeakPolarHBondContact CA-OH 3.49Å; E310-Y363 HydrophobicContact CB-CE2 4.2Å; E310-Y363 WeakPolarHBondContact CB-OH 3.34Å; E310-Y363 HydrophobicContact CG-CE2 4.34Å; E310-Y363 PolarHBondContact N-OH 3.34Å; M313-Y363 HydrophobicContact CE-CD1 3.24Å; M313-Y363 HydrophobicContact CE-CD2 4.15Å; M313-Y363 HydrophobicContact CE-CE1 2.99Å; M313-Y363 HydrophobicContact CE-CE2 3.93Å; M313-Y363 HydrophobicContact CE-CG 3.83Å
364	S	93.1	Very high	94.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-40.1	179.5	52.1	0	0	0	0	115	W305 M313 W358 G361 Y362 T366 V367 V368	W305-S364 WeakPolarHBondContact CZ3-OG 3.45Å; M313-S364 VanDerWaalsContact SD-CA 3.55Å; W358-S364 WeakPolarHBondContact O-CB 3.4Å; W358-S364 PolarHBondContact O-OG 3.46Å; G361-S364 PolarHBondContact O-OG 2.7Å; Y362-S364 PolarHBondContact O-N 3.09Å; S364-T366 PolarHBondContact O-N 3.26Å; S364-V367 PolarHBondContact O-N 3.05Å; S364-V367 VanDerWaalsContact O-N 3.12Å; S364-V368 WeakPolarHBondContact O-CG2 3.4Å; S364-V368 PolarHBondContact O-N 2.89Å
365	R	95.2	Very high	94.2	Very high	41 Å²	41	56 Å²	56	16%	0.155	25%	0.25	C	C	.	.	H	α-helix	trans	-55.1	-38.8	177.8	176.6	173.4	63.4	-123.3	6.9	111.1	M359 H360 G361 Y362 V368 L369 Y443	M359-R365 HydrophobicContact CE-CG 3.94Å; M359-R365 WeakPolarHBondContact O-CD 3.47Å; M359-R365 PolarHBondContact O-NH1 3.27Å; M359-R365 HydrophobicContact SD-CB 4.45Å; M359-R365 HydrophobicContact SD-CG 3.94Å; H360-R365 PolarHBondContact O-NH1 2.94Å; H360-R365 VanDerWaalsContact O-NH1 3.12Å; G361-R365 WeakPolarHBondContact O-CB 3.3Å; G361-R365 PolarHBondContact O-N 3.28Å; G361-R365 VanDerWaalsContact O-N 3.13Å; Y362-R365 PolarHBondContact O-N 3.49Å; R365-V368 PolarHBondContact O-N 2.93Å; R365-L369 HydrophobicContact CG-CD1 3.7Å; R365-L369 HydrophobicContact CG-CG 4.17Å; R365-L369 WeakPolarHBondContact O-CB 3.42Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.49Å; R365-L369 PolarHBondContact O-N 2.88Å; R365-Y443 VanDerWaalsContact CD-CD1 3.45Å; R365-Y443 VanDerWaalsContact CD-CG 3.46Å; R365-Y443 VanDerWaalsContact CZ-CE1 3.41Å
366	T	94.7	Very high	94.1	Very high	43 Å²	43	56.5 Å²	56.5	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-45.2	179.5	-58.6	0	0	0	0	111.7	Y362 S364 R370	Y362-T366 PolarHBondContact O-N 3.49Å; Y362-T366 VanDerWaalsContact O-N 3.12Å; Y362-T366 PolarHBondContact O-OG1 3.35Å; S364-T366 PolarHBondContact O-N 3.26Å; T366-R370 VanDerWaalsContact O-CB 3.28Å; T366-R370 WeakPolarHBondContact O-CB 3.38Å; T366-R370 PolarHBondContact O-N 3.2Å; T366-R370 VanDerWaalsContact O-N 3.08Å
367	V	95.7	Very high	94.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-46.2	177.1	-178.9	0	0	0	0	111	E310 M313 E314 I317 S364 L369 R370 L371	E310-V367 HydrophobicContact CG-CG2 3.84Å; M313-V367 HydrophobicContact SD-CB 4.43Å; M313-V367 HydrophobicContact SD-CG2 4.23Å; E314-V367 HydrophobicContact CB-CG1 3.91Å; E314-V367 HydrophobicContact CG-CG1 3.89Å; I317-V367 HydrophobicContact CD1-CB 4.13Å; I317-V367 HydrophobicContact CD1-CG1 3.87Å; S364-V367 PolarHBondContact O-N 3.05Å; S364-V367 VanDerWaalsContact O-N 3.12Å; V367-L369 PolarHBondContact O-N 3.39Å; V367-R370 PolarHBondContact O-N 2.91Å; V367-L371 HydrophobicContact CG1-CD1 4.09Å; V367-L371 PolarHBondContact O-N 2.87Å
368	V	97.3	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.8	-53.2	176.9	164.1	0	0	0	0	111.3	I317 F321 F355 W358 M359 S364 R365 R370 L371 L372	I317-V368 HydrophobicContact CD1-CG2 3.91Å; I317-V368 HydrophobicContact CG1-CG2 4.46Å; I317-V368 HydrophobicContact CG2-CG2 4.11Å; F321-V368 HydrophobicContact CE2-CG1 4.32Å; F321-V368 HydrophobicContact CZ-CG1 3.91Å; F321-V368 HydrophobicContact CZ-CG2 4.41Å; F355-V368 HydrophobicContact CE2-CG1 3.78Å; F355-V368 HydrophobicContact CZ-CG1 4.23Å; W358-V368 HydrophobicContact CB-CG2 4.34Å; W358-V368 HydrophobicContact CE3-CG2 3.87Å; M359-V368 HydrophobicContact SD-CB 4.3Å; M359-V368 HydrophobicContact SD-CG1 3.67Å; S364-V368 WeakPolarHBondContact O-CG2 3.4Å; S364-V368 PolarHBondContact O-N 2.89Å; R365-V368 PolarHBondContact O-N 2.93Å; V368-R370 PolarHBondContact O-N 3.3Å; V368-L371 PolarHBondContact O-N 3.24Å; V368-L372 HydrophobicContact CG1-CD1 3.81Å; V368-L372 HydrophobicContact CG1-CG 4.44Å; V368-L372 WeakPolarHBondContact O-CB 3.15Å; V368-L372 VanDerWaalsContact O-CG 3.3Å; V368-L372 WeakPolarHBondContact O-CG 3.37Å; V368-L372 PolarHBondContact O-N 3.49Å
369	L	97.5	Very high	94	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-39.8	-177.7	-70	175.8	0	0	0	112	M359 R365 V367 L372 E373 L440 N445 L449	M359-L369 HydrophobicContact CE-CD1 4.47Å; M359-L369 HydrophobicContact CE-CD2 3.92Å; M359-L369 HydrophobicContact CE-CG 4.23Å; R365-L369 HydrophobicContact CG-CD1 3.7Å; R365-L369 HydrophobicContact CG-CG 4.17Å; R365-L369 WeakPolarHBondContact O-CB 3.42Å; R365-L369 VanDerWaalsContact O-CG 3.25Å; R365-L369 WeakPolarHBondContact O-CG 3.49Å; R365-L369 PolarHBondContact O-N 2.88Å; V367-L369 PolarHBondContact O-N 3.39Å; L369-L372 PolarHBondContact O-N 3.49Å; L369-E373 WeakPolarHBondContact O-CB 3.44Å; L369-E373 PolarHBondContact O-N 3.26Å; L369-L440 HydrophobicContact CD2-CD1 3.43Å; L369-L440 VanDerWaalsContact CD2-CD1 3.43Å; L369-N445 HydrophobicContact CD1-CB 3.67Å; L369-L449 HydrophobicContact CD2-CD1 4.22Å
370	R	96.6	Very high	94	Very high	64 Å²	64	59.6 Å²	59.6	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-45.2	176	-172.7	-160.9	-52.4	152.8	0.8	111.7	E310 E314 T366 V367 V368 E373 R374	E310-R370 IonicContact OE1-CZ 3.7Å; E310-R370 VanDerWaalsContact OE1-CZ 3.32Å; E310-R370 IonicContact OE1-NH1 2.89Å; E310-R370 PolarHBondContact OE1-NH1 3.26Å; E310-R370 IonicContact OE1-NH2 3.8Å; E310-R370 PolarHBondContact OE1-NH2 2.87Å; E314-R370 IonicContact OE2-NH1 3.42Å; T366-R370 VanDerWaalsContact O-CB 3.28Å; T366-R370 WeakPolarHBondContact O-CB 3.38Å; T366-R370 PolarHBondContact O-N 3.2Å; T366-R370 VanDerWaalsContact O-N 3.08Å; V367-R370 PolarHBondContact O-N 2.91Å; V368-R370 PolarHBondContact O-N 3.3Å; R370-E373 PolarHBondContact O-N 3.03Å; R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 WeakPolarHBondContact O-CG 3.4Å; R370-R374 PolarHBondContact O-N 3.47Å
371	L	97.4	Very high	94.2	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-39.9	179.4	-75.9	176.8	0	0	0	112.3	E314 I317 E318 F321 V367 V368 E373 K375 Y376	E314-L371 HydrophobicContact CG-CD1 4.18Å; I317-L371 HydrophobicContact CB-CD1 4.1Å; I317-L371 HydrophobicContact CG2-CD1 3.54Å; E318-L371 HydrophobicContact CB-CD1 4.25Å; F321-L371 HydrophobicContact CD2-CB 4.04Å; F321-L371 HydrophobicContact CD2-CD1 4.48Å; F321-L371 HydrophobicContact CE2-CB 4.14Å; V367-L371 HydrophobicContact CG1-CD1 4.09Å; V367-L371 PolarHBondContact O-N 2.87Å; V368-L371 PolarHBondContact O-N 3.24Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.3Å; L371-K375 PolarHBondContact O-N 2.74Å; L371-Y376 HydrophobicContact CB-CD2 4.21Å; L371-Y376 HydrophobicContact CD2-CE2 4.45Å; L371-Y376 PolarHBondContact O-N 3.23Å
372	L	97	Very high	94.5	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-38.1	174.2	-72.3	173.4	0	0	0	112.2	F321 F355 V368 L369 Y376 K377 L379 I380 L440 L449	F321-L372 HydrophobicContact CD2-CD2 4.32Å; F321-L372 HydrophobicContact CE2-CD2 3.9Å; F321-L372 HydrophobicContact CE2-CG 3.82Å; F321-L372 HydrophobicContact CZ-CD2 4.05Å; F321-L372 HydrophobicContact CZ-CG 4.12Å; F355-L372 HydrophobicContact CE2-CD1 4.36Å; F355-L372 HydrophobicContact CZ-CD1 4.31Å; V368-L372 HydrophobicContact CG1-CD1 3.81Å; V368-L372 HydrophobicContact CG1-CG 4.44Å; V368-L372 WeakPolarHBondContact O-CB 3.15Å; V368-L372 VanDerWaalsContact O-CG 3.3Å; V368-L372 WeakPolarHBondContact O-CG 3.37Å; V368-L372 PolarHBondContact O-N 3.49Å; L369-L372 PolarHBondContact O-N 3.49Å; L372-Y376 CarbonylContact O-C 3.47Å; L372-K377 WeakPolarHBondContact O-CA 3.29Å; L372-K377 PolarHBondContact O-N 2.82Å; L372-K377 VanDerWaalsContact O-N 3.08Å; L372-L379 HydrophobicContact CD2-CB 4.22Å; L372-L379 HydrophobicContact CD2-CD1 4.05Å; L372-I380 HydrophobicContact CB-CD1 3.91Å; L372-I380 HydrophobicContact CD1-CD1 4.29Å; L372-I380 HydrophobicContact CD2-CD1 4.39Å; L372-I380 HydrophobicContact CD2-CG1 4.17Å; L372-I380 HydrophobicContact CG-CD1 4.43Å; L372-L440 HydrophobicContact CD1-CD1 4.17Å; L372-L449 HydrophobicContact CB-CD1 4.35Å
373	E	95.2	Very high	94.9	Very high	119 Å²	119	45.6 Å²	45.6	56%	0.556	21%	0.208	S	C	*	.	H	α-helix	trans	-69.4	-49.1	177.1	-172.1	179	-161.2	0	0	112.1	L369 R370 L371 L449	L369-E373 WeakPolarHBondContact O-CB 3.44Å; L369-E373 PolarHBondContact O-N 3.26Å; R370-E373 PolarHBondContact O-N 3.03Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-E373 PolarHBondContact O-N 3.3Å; E373-L449 HydrophobicContact CB-CD2 3.65Å; E373-L449 HydrophobicContact CG-CD2 3.9Å
374	R	94.6	Very high	95.2	Very high	200 Å²	200	42.1 Å²	42.1	76%	0.755	19%	0.194	S	C	*	.	H	α-helix	trans	-88.1	-35.6	-166.9	-67.2	-176.4	178.9	-179.4	-2.5	114.5	R370	R370-R374 WeakPolarHBondContact O-CB 3.24Å; R370-R374 WeakPolarHBondContact O-CG 3.4Å; R370-R374 PolarHBondContact O-N 3.47Å
375	K	95.6	Very high	95.3	Very high	122 Å²	122	45 Å²	45	53%	0.53	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-39.8	-168.2	-171.1	170.3	176.7	179.3	0	113.6	E318 L371	E318-K375 IonicContact OE1-NZ 3.88Å; E318-K375 PolarHBondContact OE1-NZ 3.24Å; L371-K375 PolarHBondContact O-N 2.74Å
376	Y	95.9	Very high	95.1	Very high	14 Å²	14	44.5 Å²	44.5	6%	0.055	21%	0.206	C	C	.	.			trans	-115.3	37.2	-169.5	-57.6	-70.8	0	0	0	113.6	E318 F321 C322 S325 L371 L372 T378 L379	E318-Y376 HydrophobicContact CG-CE2 3.93Å; E318-Y376 WeakPolarHBondContact CG-OH 3.38Å; E318-Y376 PolarHBondContact O-OH 2.99Å; F321-Y376 HydrophobicContact CB-CD1 4.01Å; F321-Y376 HydrophobicContact CB-CD2 3.53Å; F321-Y376 HydrophobicContact CB-CE1 4.27Å; F321-Y376 HydrophobicContact CB-CE2 3.8Å; F321-Y376 HydrophobicContact CB-CG 3.62Å; F321-Y376 AromaticContact CD2-CD2 3.82Å; F321-Y376 HydrophobicContact CD2-CD2 3.82Å; F321-Y376 HydrophobicContact CD2-CE2 4.49Å; F321-Y376 HydrophobicContact CD2-CG 4.33Å; F321-Y376 HydrophobicContact CG-CD2 4.18Å; F321-Y376 HydrophobicContact CG-CG 4.41Å; C322-Y376 HydrophobicContact CB-CE1 4.27Å; S325-Y376 VanDerWaalsContact OG-CD1 3.29Å; S325-Y376 WeakPolarHBondContact OG-CD1 3.34Å; L371-Y376 HydrophobicContact CB-CD2 4.21Å; L371-Y376 HydrophobicContact CD2-CE2 4.45Å; L371-Y376 PolarHBondContact O-N 3.23Å; L372-Y376 CarbonylContact O-C 3.47Å; Y376-T378 PolarHBondContact O-N 2.93Å; Y376-T378 VanDerWaalsContact O-N 3.15Å; Y376-L379 WeakPolarHBondContact O-CB 3.34Å; Y376-L379 PolarHBondContact O-N 3.3Å; Y376-L379 VanDerWaalsContact O-N 3.1Å
377	K	93.1	Very high	95.2	Very high	100 Å²	100	42.4 Å²	42.4	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-58.8	-27.6	178.4	-170.3	171.2	-176.2	168.4	0	112.6	L372 L379 I380 V381	L372-K377 WeakPolarHBondContact O-CA 3.29Å; L372-K377 PolarHBondContact O-N 2.82Å; L372-K377 VanDerWaalsContact O-N 3.08Å; K377-L379 PolarHBondContact O-N 2.82Å; K377-I380 PolarHBondContact O-N 3.5Å; K377-V381 WeakPolarHBondContact O-CG2 3.43Å; K377-V381 PolarHBondContact O-N 3.01Å; K377-V381 VanDerWaalsContact O-N 3.13Å
378	T	92.3	Very high	95	Very high	70 Å²	70	43.3 Å²	43.3	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-56.3	-33.8	175.7	47.6	0	0	0	0	112.9	Y376 I380 V381 S382	Y376-T378 PolarHBondContact O-N 2.93Å; Y376-T378 VanDerWaalsContact O-N 3.15Å; T378-I380 PolarHBondContact O-N 2.89Å; T378-V381 WeakPolarHBondContact O-CB 3.36Å; T378-V381 PolarHBondContact O-N 2.95Å; T378-S382 WeakPolarHBondContact O-CB 3.28Å; T378-S382 PolarHBondContact O-N 3.35Å; T378-S382 PolarHBondContact O-OG 3.4Å; T378-S382 VanDerWaalsContact O-OG 3.07Å
379	L	94.8	Very high	94.7	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-43.6	177.8	-66.7	178.2	0	0	0	112.3	F321 L324 S325 L372 Y376 K377 S382 A383	F321-L379 HydrophobicContact CB-CD1 3.81Å; F321-L379 HydrophobicContact CD1-CD1 3.66Å; F321-L379 HydrophobicContact CD2-CD1 4.43Å; F321-L379 HydrophobicContact CE1-CD1 4.34Å; F321-L379 HydrophobicContact CG-CD1 3.72Å; L324-L379 HydrophobicContact CB-CD2 3.69Å; L324-L379 VanDerWaalsContact O-CD2 3.27Å; L324-L379 WeakPolarHBondContact O-CD2 3.22Å; S325-L379 WeakPolarHBondContact OG-CD2 3.48Å; S325-L379 VanDerWaalsContact OG-CG 3.31Å; S325-L379 WeakPolarHBondContact OG-CG 3.45Å; L372-L379 HydrophobicContact CD2-CB 4.22Å; L372-L379 HydrophobicContact CD2-CD1 4.05Å; Y376-L379 WeakPolarHBondContact O-CB 3.34Å; Y376-L379 PolarHBondContact O-N 3.3Å; Y376-L379 VanDerWaalsContact O-N 3.1Å; K377-L379 PolarHBondContact O-N 2.82Å; L379-S382 PolarHBondContact O-N 3.43Å; L379-A383 WeakPolarHBondContact O-CB 3.04Å; L379-A383 PolarHBondContact O-N 2.99Å
380	I	95.2	Very high	94.5	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-71.4	-39.1	179	-51.1	172.7	0	0	0	109.9	L372 K377 T378 S382 A383 L384 L437 L440 L449 I452	L372-I380 HydrophobicContact CB-CD1 3.91Å; L372-I380 HydrophobicContact CD1-CD1 4.29Å; L372-I380 HydrophobicContact CD2-CD1 4.39Å; L372-I380 HydrophobicContact CD2-CG1 4.17Å; L372-I380 HydrophobicContact CG-CD1 4.43Å; K377-I380 PolarHBondContact O-N 3.5Å; T378-I380 PolarHBondContact O-N 2.89Å; I380-S382 VanDerWaalsContact C-N 3.33Å; I380-S382 PolarHBondContact O-N 2.97Å; I380-A383 PolarHBondContact O-N 3.36Å; I380-L384 VanDerWaalsContact O-CB 3.29Å; I380-L384 WeakPolarHBondContact O-CB 3.45Å; I380-L384 PolarHBondContact O-N 3.2Å; I380-L437 HydrophobicContact CG2-CD2 3.84Å; I380-L440 HydrophobicContact CD1-CD2 3.98Å; I380-L440 HydrophobicContact CG1-CD2 4.29Å; I380-L440 HydrophobicContact CG2-CD2 3.94Å; I380-L449 HydrophobicContact CD1-CB 4.25Å; I380-L449 HydrophobicContact CD1-CD1 3.32Å; I380-L449 HydrophobicContact CD1-CG 4.32Å; I380-I452 HydrophobicContact CB-CD1 4.19Å; I380-I452 HydrophobicContact CG2-CD1 3.3Å
381	V	94.5	Very high	94.1	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.152	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-46.8	174	172.8	0	0	0	0	110.5	K377 T378 L384 Q385 I452	K377-V381 WeakPolarHBondContact O-CG2 3.43Å; K377-V381 PolarHBondContact O-N 3.01Å; K377-V381 VanDerWaalsContact O-N 3.13Å; T378-V381 WeakPolarHBondContact O-CB 3.36Å; T378-V381 PolarHBondContact O-N 2.95Å; V381-L384 PolarHBondContact O-N 3.47Å; V381-Q385 VanDerWaalsContact CG1-NE2 3.3Å; V381-Q385 WeakPolarHBondContact O-CB 3.47Å; V381-Q385 WeakPolarHBondContact O-CG 3.26Å; V381-Q385 PolarHBondContact O-N 2.89Å; V381-I452 HydrophobicContact CB-CG2 4.38Å; V381-I452 HydrophobicContact CG2-CG2 3.49Å; V381-I452 VanDerWaalsContact CG2-CG2 3.49Å
382	S	92.6	Very high	93.7	Very high	15 Å²	15	47.3 Å²	47.3	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-42.2	179.7	-62.3	0	0	0	0	111.9	H327 T378 L379 I380 L384 Q385 Q386	H327-S382 PolarHBondContact NE2-OG 3.18Å; T378-S382 WeakPolarHBondContact O-CB 3.28Å; T378-S382 PolarHBondContact O-N 3.35Å; T378-S382 PolarHBondContact O-OG 3.4Å; T378-S382 VanDerWaalsContact O-OG 3.07Å; L379-S382 PolarHBondContact O-N 3.43Å; I380-S382 VanDerWaalsContact C-N 3.33Å; I380-S382 PolarHBondContact O-N 2.97Å; S382-L384 PolarHBondContact O-N 3.12Å; S382-Q385 WeakPolarHBondContact O-CB 3.44Å; S382-Q385 PolarHBondContact O-N 2.95Å; S382-Q386 WeakPolarHBondContact O-CG 3.45Å; S382-Q386 PolarHBondContact O-N 2.96Å; S382-Q386 VanDerWaalsContact O-N 3.12Å
383	A	95.9	Very high	93	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-44.7	175	0	0	0	0	0	112.1	L379 I380 Q385 Q386 C387 L437	L379-A383 WeakPolarHBondContact O-CB 3.04Å; L379-A383 PolarHBondContact O-N 2.99Å; I380-A383 PolarHBondContact O-N 3.36Å; A383-Q385 PolarHBondContact O-N 2.9Å; A383-Q386 PolarHBondContact O-N 3.01Å; A383-C387 PolarHBondContact O-N 3.3Å; A383-L437 HydrophobicContact CB-CD1 4.22Å; A383-L437 HydrophobicContact CB-CD2 4.18Å; A383-L437 HydrophobicContact CB-CG 3.99Å
384	L	95.9	Very high	92	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-39.4	178.1	-177.8	58.9	0	0	0	112.1	I380 V381 S382 Q386 C387 L388 L437 F450 I452 I454 V461 L466	I380-L384 VanDerWaalsContact O-CB 3.29Å; I380-L384 WeakPolarHBondContact O-CB 3.45Å; I380-L384 PolarHBondContact O-N 3.2Å; V381-L384 PolarHBondContact O-N 3.47Å; S382-L384 PolarHBondContact O-N 3.12Å; L384-Q386 VanDerWaalsContact C-N 3.27Å; L384-Q386 PolarHBondContact O-N 3.1Å; L384-C387 PolarHBondContact O-N 3.41Å; L384-L388 HydrophobicContact CD1-CD1 4.5Å; L384-L388 HydrophobicContact CG-CD1 4.13Å; L384-L388 WeakPolarHBondContact O-CG 3.42Å; L384-L388 PolarHBondContact O-N 2.96Å; L384-L437 HydrophobicContact CB-CD1 4.41Å; L384-L437 HydrophobicContact CD1-CD1 4.44Å; L384-F450 HydrophobicContact CD2-CE1 4.24Å; L384-I452 HydrophobicContact CD2-CB 3.88Å; L384-I452 HydrophobicContact CD2-CD1 4.19Å; L384-I452 HydrophobicContact CD2-CG2 4.11Å; L384-I454 HydrophobicContact CB-CD1 4.49Å; L384-I454 HydrophobicContact CD2-CD1 3.74Å; L384-I454 HydrophobicContact CD2-CG1 4.35Å; L384-I454 HydrophobicContact CG-CD1 3.79Å; L384-V461 HydrophobicContact CD1-CG1 4.29Å; L384-V461 HydrophobicContact CD2-CB 3.93Å; L384-V461 HydrophobicContact CD2-CG1 3.94Å; L384-V461 HydrophobicContact CG-CG1 4.5Å; L384-L466 HydrophobicContact CD1-CB 4.39Å; L384-L466 HydrophobicContact CD1-CD1 3.75Å; L384-L466 HydrophobicContact CD1-CG 4.45Å
385	Q	93.4	Very high	90.6	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-36.3	173.5	-77	172.5	12.8	0	0	112.4	V381 S382 A383 H389 I454	V381-Q385 VanDerWaalsContact CG1-NE2 3.3Å; V381-Q385 WeakPolarHBondContact O-CB 3.47Å; V381-Q385 WeakPolarHBondContact O-CG 3.26Å; V381-Q385 PolarHBondContact O-N 2.89Å; S382-Q385 WeakPolarHBondContact O-CB 3.44Å; S382-Q385 PolarHBondContact O-N 2.95Å; A383-Q385 PolarHBondContact O-N 2.9Å; Q385-H389 WeakPolarHBondContact O-CB 3.44Å; Q385-H389 PolarHBondContact O-N 2.83Å; Q385-I454 HydrophobicContact CG-CD1 4.36Å; Q385-I454 HydrophobicContact CG-CG2 3.64Å
386	Q	92.9	Very high	88.9	Confident	29 Å²	29	41 Å²	41	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-44.1	176.7	-63.5	-47.3	-44.7	0	0	112	S382 A383 L384 L388 H389 F390 F429	S382-Q386 WeakPolarHBondContact O-CG 3.45Å; S382-Q386 PolarHBondContact O-N 2.96Å; S382-Q386 VanDerWaalsContact O-N 3.12Å; A383-Q386 PolarHBondContact O-N 3.01Å; L384-Q386 VanDerWaalsContact C-N 3.27Å; L384-Q386 PolarHBondContact O-N 3.1Å; Q386-L388 PolarHBondContact O-N 3.22Å; Q386-H389 PolarHBondContact O-N 3.3Å; Q386-F390 WeakPolarHBondContact O-CB 3.47Å; Q386-F390 PolarHBondContact O-N 3.3Å; Q386-F429 VanDerWaalsContact CD-CD1 3.44Å; Q386-F429 VanDerWaalsContact CD-CE1 3.42Å; Q386-F429 HydrophobicContact CG-CD1 3.61Å; Q386-F429 HydrophobicContact CG-CD2 4.22Å; Q386-F429 HydrophobicContact CG-CE1 3.51Å; Q386-F429 HydrophobicContact CG-CE2 4.09Å; Q386-F429 HydrophobicContact CG-CG 3.98Å; Q386-F429 HydrophobicContact CG-CZ 3.74Å
387	C	94.9	Very high	86.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-42.8	177.1	-65.5	0	0	0	0	112	A383 L384 S391	A383-C387 PolarHBondContact O-N 3.3Å; L384-C387 PolarHBondContact O-N 3.41Å; C387-S391 WeakPolarHBondContact O-CB 3.45Å; C387-S391 PolarHBondContact O-N 3.34Å; C387-S391 VanDerWaalsContact O-N 3.08Å
388	L	93.4	Very high	84.8	Confident	18 Å²	18	43.3 Å²	43.3	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-49.4	176.1	-72.3	164.1	0	0	0	111.8	L384 Q386 F390 S391 E392 I454 V461 V469	L384-L388 HydrophobicContact CD1-CD1 4.5Å; L384-L388 HydrophobicContact CG-CD1 4.13Å; L384-L388 WeakPolarHBondContact O-CG 3.42Å; L384-L388 PolarHBondContact O-N 2.96Å; Q386-L388 PolarHBondContact O-N 3.22Å; L388-F390 VanDerWaalsContact C-N 3.33Å; L388-F390 PolarHBondContact O-N 3.07Å; L388-S391 WeakPolarHBondContact O-CB 3.37Å; L388-S391 PolarHBondContact O-N 3.43Å; L388-S391 VanDerWaalsContact O-N 3.15Å; L388-E392 WeakPolarHBondContact O-CG 3.36Å; L388-E392 PolarHBondContact O-N 2.71Å; L388-I454 HydrophobicContact CD1-CD1 3.15Å; L388-V461 HydrophobicContact CD1-CG2 4.22Å; L388-V469 HydrophobicContact CD2-CG1 4.29Å; L388-V469 HydrophobicContact CD2-CG2 3.57Å
389	H	90.6	Very high	82.3	Confident	67 Å²	67	45 Å²	45	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-43.2	179.3	179	-91.1	0	0	0	112	Q385 Q386 S391 E392 S393	Q385-H389 WeakPolarHBondContact O-CB 3.44Å; Q385-H389 PolarHBondContact O-N 2.83Å; Q386-H389 PolarHBondContact O-N 3.3Å; H389-S391 VanDerWaalsContact C-N 3.35Å; H389-E392 PolarHBondContact O-N 3.42Å; H389-S393 VanDerWaalsContact O-CB 3.31Å; H389-S393 WeakPolarHBondContact O-CB 3.45Å; H389-S393 PolarHBondContact O-N 3.15Å; H389-S393 PolarHBondContact O-OG 3.42Å
390	F	91.8	Very high	79.5	Confident	30 Å²	30	51 Å²	51	13%	0.132	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-44.1	176.4	-174.9	-100	0	0	0	111.4	Q386 L388 S393 S394 Y427 F430 I473 H477 P493	Q386-F390 WeakPolarHBondContact O-CB 3.47Å; Q386-F390 PolarHBondContact O-N 3.3Å; L388-F390 VanDerWaalsContact C-N 3.33Å; L388-F390 PolarHBondContact O-N 3.07Å; F390-S393 PolarHBondContact O-N 2.97Å; F390-S393 PolarHBondContact O-OG 3.42Å; F390-S394 WeakPolarHBondContact O-CB 3.3Å; F390-S394 PolarHBondContact O-N 2.95Å; F390-S394 VanDerWaalsContact O-N 3.14Å; F390-S394 PolarHBondContact O-OG 3.28Å; F390-Y427 AromaticContact CE2-CD2 3.78Å; F390-Y427 HydrophobicContact CE2-CD2 3.78Å; F390-Y427 AromaticContact CE2-CE2 3.93Å; F390-Y427 HydrophobicContact CE2-CE2 3.93Å; F390-Y427 HydrophobicContact CZ-CD2 4.27Å; F390-Y427 AromaticContact CZ-CE2 3.95Å; F390-Y427 HydrophobicContact CZ-CE2 3.95Å; F390-F430 HydrophobicContact CB-CD2 3.7Å; F390-F430 HydrophobicContact CB-CE2 4.13Å; F390-F430 HydrophobicContact CB-CG 4.07Å; F390-F430 HydrophobicContact CD1-CD1 4.27Å; F390-F430 HydrophobicContact CD1-CD2 4.05Å; F390-F430 AromaticContact CD1-CE1 3.98Å; F390-F430 HydrophobicContact CD1-CE1 3.98Å; F390-F430 AromaticContact CD1-CE2 3.74Å; F390-F430 HydrophobicContact CD1-CE2 3.74Å; F390-F430 HydrophobicContact CD1-CG 4.3Å; F390-F430 AromaticContact CD1-CZ 3.7Å; F390-F430 HydrophobicContact CD1-CZ 3.7Å; F390-F430 HydrophobicContact CD2-CD1 4.16Å; F390-F430 HydrophobicContact CD2-CG 4.11Å; F390-F430 HydrophobicContact CE1-CD1 4.41Å; F390-F430 AromaticContact CE1-CE1 3.92Å; F390-F430 HydrophobicContact CE1-CE1 3.92Å; F390-F430 HydrophobicContact CE1-CE2 4.44Å; F390-F430 AromaticContact CE1-CZ 3.94Å; F390-F430 HydrophobicContact CE1-CZ 3.94Å; F390-F430 HydrophobicContact CE2-CD1 4.32Å; F390-F430 HydrophobicContact CG-CD1 4.14Å; F390-F430 AromaticContact CG-CD2 3.83Å; F390-F430 HydrophobicContact CG-CD2 3.83Å; F390-F430 HydrophobicContact CG-CE1 4.32Å; F390-F430 HydrophobicContact CG-CE2 4.02Å; F390-F430 AromaticContact CG-CG 3.89Å; F390-F430 HydrophobicContact CG-CG 3.89Å; F390-F430 HydrophobicContact CG-CZ 4.27Å; F390-F430 HydrophobicContact CZ-CD1 4.44Å; F390-F430 HydrophobicContact CZ-CE1 4.23Å; F390-I473 HydrophobicContact CD1-CD1 4.12Å; F390-I473 HydrophobicContact CD1-CG1 4.1Å; F390-I473 HydrophobicContact CD1-CG2 4.11Å; F390-I473 HydrophobicContact CE1-CG2 3.85Å; F390-H477 AromaticContact CE1-CD2 3.89Å; F390-H477 AromaticContact CE1-NE2 3.8Å; F390-H477 AromaticContact CZ-NE2 3.8Å; F390-P493 HydrophobicContact CE1-CB 4.05Å; F390-P493 HydrophobicContact CE1-CG 4.19Å; F390-P493 HydrophobicContact CZ-CB 4.29Å; F390-P493 HydrophobicContact CZ-CG 3.92Å
391	S	90.1	Very high	76.7	Confident	7 Å²	7	55.5 Å²	55.5	5%	0.049	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-49.3	176.9	-156.3	0	0	0	0	112.2	C387 L388 H389 S393 S394 E395	C387-S391 WeakPolarHBondContact O-CB 3.45Å; C387-S391 PolarHBondContact O-N 3.34Å; C387-S391 VanDerWaalsContact O-N 3.08Å; L388-S391 WeakPolarHBondContact O-CB 3.37Å; L388-S391 PolarHBondContact O-N 3.43Å; L388-S391 VanDerWaalsContact O-N 3.15Å; H389-S391 VanDerWaalsContact C-N 3.35Å; S391-S393 PolarHBondContact O-N 2.88Å; S391-S394 WeakPolarHBondContact O-CB 3.5Å; S391-S394 PolarHBondContact O-N 3.18Å; S391-E395 PolarHBondContact O-N 3.05Å
392	E	88	Confident	73.7	Confident	67 Å²	67	58.7 Å²	58.7	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-40.3	178.3	-70.5	176.5	-172.2	0	0	113.1	L388 H389 S394 E395 R396 H457	L388-E392 WeakPolarHBondContact O-CG 3.36Å; L388-E392 PolarHBondContact O-N 2.71Å; H389-E392 PolarHBondContact O-N 3.42Å; E392-S394 PolarHBondContact O-N 3.5Å; E392-E395 WeakPolarHBondContact O-CB 3.49Å; E392-E395 PolarHBondContact O-N 3.34Å; E392-E395 VanDerWaalsContact O-N 3.1Å; E392-R396 PolarHBondContact O-N 3.5Å; E392-H457 IonicContact OE1-CE1 2.88Å; E392-H457 IonicContact OE1-NE2 3.31Å
393	S	82.4	Confident	70.5	Confident	51 Å²	51	64.4 Å²	64.4	36%	0.357	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-31.8	176.6	70	0	0	0	0	112.3	H389 F390 S391 E395 S397	H389-S393 VanDerWaalsContact O-CB 3.31Å; H389-S393 WeakPolarHBondContact O-CB 3.45Å; H389-S393 PolarHBondContact O-N 3.15Å; H389-S393 PolarHBondContact O-OG 3.42Å; F390-S393 PolarHBondContact O-N 2.97Å; F390-S393 PolarHBondContact O-OG 3.42Å; S391-S393 PolarHBondContact O-N 2.88Å; S393-E395 VanDerWaalsContact C-N 3.28Å; S393-E395 PolarHBondContact O-N 3.37Å; S393-S397 PolarHBondContact O-N 3.15Å; S393-S397 PolarHBondContact O-OG 3.48Å; S393-S397 VanDerWaalsContact O-OG 3.09Å
394	S	73.3	Confident	67.5	Low	4 Å²	4	68.8 Å²	68.8	3%	0.028	40%	0.396	C	S	.	.	H	α-helix	trans	-72.7	-24.3	176.1	-56.2	0	0	0	0	111.8	F390 S391 E392 S397 H477	F390-S394 WeakPolarHBondContact O-CB 3.3Å; F390-S394 PolarHBondContact O-N 2.95Å; F390-S394 VanDerWaalsContact O-N 3.14Å; F390-S394 PolarHBondContact O-OG 3.28Å; S391-S394 WeakPolarHBondContact O-CB 3.5Å; S391-S394 PolarHBondContact O-N 3.18Å; E392-S394 PolarHBondContact O-N 3.5Å; S394-S397 PolarHBondContact O-OG 3.13Å; S394-H477 WeakPolarHBondContact CB-NE2 3.28Å; S394-H477 PolarHBondContact OG-NE2 3.22Å
395	E	65.6	Low	64.4	Low	84 Å²	84	77.1 Å²	77.1	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-73	-48.7	173.3	-71.2	179.2	168.9	0	0	111.9	S391 E392 S393 S397 S398 R476	S391-E395 PolarHBondContact O-N 3.05Å; E392-E395 WeakPolarHBondContact O-CB 3.49Å; E392-E395 PolarHBondContact O-N 3.34Å; E392-E395 VanDerWaalsContact O-N 3.1Å; S393-E395 VanDerWaalsContact C-N 3.28Å; S393-E395 PolarHBondContact O-N 3.37Å; E395-S397 VanDerWaalsContact C-N 3.34Å; E395-S397 PolarHBondContact O-N 2.92Å; E395-S398 PolarHBondContact O-N 3.47Å; E395-S398 VanDerWaalsContact O-N 3.09Å; E395-S398 PolarHBondContact O-OG 3.41Å; E395-R476 VanDerWaalsContact CD-NH2 3.34Å; E395-R476 VanDerWaalsContact CG-CZ 3.45Å; E395-R476 VanDerWaalsContact CG-NE 3.26Å; E395-R476 IonicContact OE1-CZ 3.78Å; E395-R476 IonicContact OE1-NH1 3.81Å; E395-R476 IonicContact OE1-NH2 2.87Å; E395-R476 PolarHBondContact OE1-NH2 3.23Å
396	R	59.8	Low	61.6	Low	176 Å²	176	79.5 Å²	79.5	66%	0.664	45%	0.453	S	S	*	.	H	α-helix	trans	-64.3	-37.8	-175.5	-65.2	-178.8	-172.5	166.7	6.1	113.1	E392 S398 S399 E400	E392-R396 PolarHBondContact O-N 3.5Å; R396-S398 PolarHBondContact O-N 3.08Å; R396-S399 PolarHBondContact O-N 3.2Å; R396-S399 VanDerWaalsContact O-N 3.12Å; R396-E400 PolarHBondContact O-N 2.7Å
397	S	53.5	Low	58.8	Low	78 Å²	78	86.4 Å²	86.4	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-67.3	-14.1	176.2	51.9	0	0	0	0	114.5	S393 S394 E395	S393-S397 PolarHBondContact O-N 3.15Å; S393-S397 PolarHBondContact O-OG 3.48Å; S393-S397 VanDerWaalsContact O-OG 3.09Å; S394-S397 PolarHBondContact O-OG 3.13Å; E395-S397 VanDerWaalsContact C-N 3.34Å; E395-S397 PolarHBondContact O-N 2.92Å
398	S	49	Very low	56	Low	84 Å²	84	93 Å²	93	59%	0.587	52%	0.52	S	S	*	.	H	α-helix	trans	-90.8	-13.2	172.3	65.3	0	0	0	0	114.2	E395 R396	E395-S398 PolarHBondContact O-N 3.47Å; E395-S398 VanDerWaalsContact O-N 3.09Å; E395-S398 PolarHBondContact O-OG 3.41Å; R396-S398 PolarHBondContact O-N 3.08Å
399	S	41.4	Very low	53.1	Low	104 Å²	104	96.9 Å²	96.9	73%	0.727	55%	0.55	S	S	*	.	H	α-helix	trans	-103.6	-19.1	-173.9	-174.3	0	0	0	0	114.2	R396	R396-S399 PolarHBondContact O-N 3.2Å; R396-S399 VanDerWaalsContact O-N 3.12Å
400	E	34.8	Very low	50.7	Low	156 Å²	156	97.7 Å²	97.7	73%	0.729	56%	0.563	S	S	*	*	S	Bend	trans	-91.6	119.7	170	-72	176.7	173.8	0	0	107.5	R396 A402	R396-E400 PolarHBondContact O-N 2.7Å; E400-A402 PolarHBondContact O-N 3.07Å
401	A	36.3	Very low	48	Very low	101 Å²	101	101.3 Å²	101.3	84%	0.835	58%	0.583	S	S	*	*			trans	-48.3	120.3	174.2	0	0	0	0	0	108.6	D403	A401-D403 PolarHBondContact O-N 3.47Å
402	A	31.3	Very low	45.8	Very low	92 Å²	92	105.8 Å²	105.8	76%	0.76	61%	0.612	S	S	*	*			trans	-53.6	109.3	-179.4	0	0	0	0	0	109.1	E400 P404	E400-A402 PolarHBondContact O-N 3.07Å; A402-P404 WeakPolarHBondContact O-CD 3.3Å
403	D	26.3	Very low	43.7	Very low	134 Å²	134	104 Å²	104	72%	0.717	61%	0.611	S	S	*	*			trans	-63.6	119.8	164.4	-155.4	0.1	0	0	0	106.1	A401 H405	A401-D403 PolarHBondContact O-N 3.47Å; D403-H405 PolarHBondContact O-N 2.83Å
404	P	32.3	Very low	41.9	Very low	98 Å²	98	105.2 Å²	105.2	64%	0.636	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	10	-166.8	-17.4	31	0	0	0	115.1	A402	A402-P404 WeakPolarHBondContact O-CD 3.3Å
405	H	31.3	Very low	40.7	Very low	175 Å²	175	111.2 Å²	111.2	81%	0.81	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	20.6	-168.6	-85	-54.8	0	0	0	116.1	D403	D403-H405 PolarHBondContact O-N 2.83Å
406	V	34	Very low	40.1	Very low	114 Å²	114	115.7 Å²	115.7	69%	0.691	67%	0.665	S	S	*	*			trans	-132.4	49.6	163	-160.8	0	0	0	0	110.3
407	E	35	Very low	40.1	Very low	175 Å²	175	116.4 Å²	116.4	82%	0.818	67%	0.668	S	S	*	*			trans	-66	130.2	155.8	-77.7	-174.2	158.5	0	0	108.9	S409	E407-S409 PolarHBondContact O-N 3.16Å
408	D	36.6	Very low	41.2	Very low	137 Å²	137	113 Å²	113	73%	0.733	65%	0.646	S	S	*	*			trans	24.3	81.4	159.8	-83	-41.4	0	0	0	117.5	S410	D408-S410 PolarHBondContact O-N 2.79Å; D408-S410 WeakPolarHBondContact OD1-CB 3.3Å; D408-S410 PolarHBondContact OD1-OG 2.99Å
409	S	32.3	Very low	42.8	Very low	101 Å²	101	110.7 Å²	110.7	71%	0.706	63%	0.628	S	S	*	*			trans	-82.9	45.7	142.1	73.6	0	0	0	0	109.9	E407 D411	E407-S409 PolarHBondContact O-N 3.16Å; S409-D411 PolarHBondContact O-N 3.47Å; S409-D411 VanDerWaalsContact O-N 3.07Å
410	S	39.9	Very low	45	Very low	84 Å²	84	107.6 Å²	107.6	59%	0.587	60%	0.601	S	S	*	*			trans	-80.9	60.7	164.9	-59.4	0	0	0	0	107.3	D408 P412	D408-S410 PolarHBondContact O-N 2.79Å; D408-S410 WeakPolarHBondContact OD1-CB 3.3Å; D408-S410 PolarHBondContact OD1-OG 2.99Å; S410-P412 WeakPolarHBondContact O-CD 3.12Å; S410-P412 VanDerWaalsContact O-N 3.12Å
411	D	35.8	Very low	47.5	Very low	105 Å²	105	102.7 Å²	102.7	56%	0.561	58%	0.582	S	S	*	*			trans	-64	110.2	169.7	-170.9	-0.3	0	0	0	106.5	S409 G413 L414	S409-D411 PolarHBondContact O-N 3.47Å; S409-D411 VanDerWaalsContact O-N 3.07Å; D411-G413 PolarHBondContact O-N 3.36Å; D411-G413 PolarHBondContact OD1-N 3.27Å; D411-L414 HydrophobicContact CB-CD1 4.39Å; D411-L414 PolarHBondContact O-N 3.25Å
412	P	43.4	Very low	49.8	Very low	102 Å²	102	101.5 Å²	101.5	66%	0.662	56%	0.556	S	S	*	*	H	α-helix	trans	-59.3	-15.2	-178.8	-16.5	30.1	0	0	0	111.8	S410	S410-P412 WeakPolarHBondContact O-CD 3.12Å; S410-P412 VanDerWaalsContact O-N 3.12Å
413	G	42.4	Very low	52.4	Low	28 Å²	28	106 Å²	106	29%	0.289	55%	0.554	S	S	.	*	H	α-helix	trans	-68.1	-22.4	174.5	0	0	0	0	0	115.6	D411 Q416 R417	D411-G413 PolarHBondContact O-N 3.36Å; D411-G413 PolarHBondContact OD1-N 3.27Å; G413-Q416 PolarHBondContact O-N 2.92Å; G413-R417 PolarHBondContact O-N 3.25Å
414	L	44.7	Very low	55.4	Low	77 Å²	77	102.6 Å²	102.6	40%	0.403	54%	0.535	S	S	.	.	H	α-helix	trans	-73.9	-39.6	-178	-84	162	0	0	0	113	D411 Q416 R417	D411-L414 HydrophobicContact CB-CD1 4.39Å; D411-L414 PolarHBondContact O-N 3.25Å; L414-Q416 VanDerWaalsContact C-N 3.28Å; L414-Q416 PolarHBondContact O-N 3.5Å; L414-R417 PolarHBondContact O-N 3.19Å; L414-R417 VanDerWaalsContact O-N 3.07Å
415	L	49.6	Very low	58.1	Low	130 Å²	130	98 Å²	98	68%	0.681	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-33	172.2	-80.2	162.3	0	0	0	111.6	R417 F420	L415-R417 PolarHBondContact O-N 3.29Å; L415-F420 HydrophobicContact CD2-CE1 4.28Å
416	Q	52.6	Low	60.9	Low	178 Å²	178	91.5 Å²	91.5	83%	0.832	48%	0.475	S	S	*	.	H	α-helix	trans	-71.3	-16.1	173.4	-72.3	-175.5	-8.9	0	0	113.3	G413 L414	G413-Q416 PolarHBondContact O-N 2.92Å; L414-Q416 VanDerWaalsContact C-N 3.28Å; L414-Q416 PolarHBondContact O-N 3.5Å
417	R	59.4	Low	63.7	Low	191 Å²	191	88.9 Å²	88.9	72%	0.721	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.2	-177	-140.9	172.9	-169.9	179.6	2.6	114.6	N280 G413 L414 L415	N280-R417 PolarHBondContact ND2-O 3.47Å; G413-R417 PolarHBondContact O-N 3.25Å; L414-R417 PolarHBondContact O-N 3.19Å; L414-R417 VanDerWaalsContact O-N 3.07Å; L415-R417 PolarHBondContact O-N 3.29Å
418	G	76	Confident	66.5	Low	8 Å²	8	81.2 Å²	81.2	8%	0.082	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	25.6	179.4	0	0	0	0	0	114.4	I279	I279-G418 VanDerWaalsContact CG1-O 3.24Å; I279-G418 WeakPolarHBondContact CG1-O 3.4Å; I279-G418 PolarHBondContact N-O 3.48Å
419	V	84.3	Confident	69.3	Low	34 Å²	34	75.2 Å²	75.2	21%	0.206	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.6	-177	178.7	0	0	0	0	109.6	A276 V277 D278	A276-V419 HydrophobicContact CB-CG1 3.26Å; V277-V419 WeakPolarHBondContact O-CA 3.31Å; D278-V419 HydrophobicContact CB-CG2 4.24Å
420	F	86.3	Confident	72.3	Confident	39 Å²	39	70.5 Å²	70.5	17%	0.171	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128	-178.7	-68.5	-88.1	0	0	0	111.6	A276 V277 I279 L347 L415 D424 L425	A276-F420 CarbonylContact C-O 3.54Å; A276-F420 WeakPolarHBondContact CA-O 3.43Å; A276-F420 WeakPolarHBondContact CB-O 3.38Å; V277-F420 PolarHBondContact N-O 3.42Å; V277-F420 PolarHBondContact O-N 3Å; I279-F420 HydrophobicContact CD1-CE2 4.03Å; I279-F420 HydrophobicContact CG2-CD2 3.54Å; I279-F420 HydrophobicContact CG2-CE2 3.54Å; L347-F420 HydrophobicContact CD1-CD2 4.2Å; L347-F420 HydrophobicContact CD1-CE2 4.42Å; L347-F420 HydrophobicContact CD1-CG 4.36Å; L347-F420 HydrophobicContact CD2-CD1 3.77Å; L347-F420 HydrophobicContact CD2-CE1 3.8Å; L347-F420 HydrophobicContact CD2-CG 4.17Å; L347-F420 HydrophobicContact CD2-CZ 4.22Å; L415-F420 HydrophobicContact CD2-CE1 4.28Å; F420-D424 HydrophobicContact CB-CB 4.31Å; F420-D424 HydrophobicContact CD1-CB 3.98Å; F420-L425 HydrophobicContact CB-CD2 4.38Å; F420-L425 HydrophobicContact CB-CG 4.43Å
421	T	87.3	Confident	75	Confident	53 Å²	53	66.5 Å²	66.5	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	168.6	176.6	72.1	0	0	0	0	111.4	R423 D424 L425	T421-R423 PolarHBondContact O-N 3.17Å; T421-R423 PolarHBondContact OG1-N 3.06Å; T421-D424 WeakPolarHBondContact CB-OD2 3.47Å; T421-D424 WeakPolarHBondContact CG2-OD2 3.46Å; T421-D424 PolarHBondContact N-OD2 3.42Å; T421-D424 PolarHBondContact O-N 3.23Å; T421-D424 PolarHBondContact OG1-N 3.34Å; T421-D424 PolarHBondContact OG1-OD2 2.9Å; T421-L425 PolarHBondContact O-N 3.49Å; T421-L425 VanDerWaalsContact O-N 3.14Å
422	R	84.9	Confident	77.9	Confident	77 Å²	77	61.6 Å²	61.6	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-53	-41.7	170.1	-171.7	-172.1	173	147.9	-5.9	112.8	F270 P271 D424 L425 E426	F270-R422 HydrophobicContact CD1-CG 4.07Å; F270-R422 HydrophobicContact CE1-CG 3.55Å; F270-R422 HydrophobicContact CZ-CG 4.48Å; P271-R422 HydrophobicContact CB-CB 4.28Å; P271-R422 HydrophobicContact CG-CB 4.16Å; P271-R422 VanDerWaalsContact O-CD 3.3Å; P271-R422 WeakPolarHBondContact O-CD 3.42Å; P271-R422 WeakPolarHBondContact O-CG 3.48Å; R422-D424 VanDerWaalsContact C-N 3.34Å; R422-L425 PolarHBondContact O-N 3.23Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 2.87Å; R422-E426 IonicContact NE-OE1 3.29Å; R422-E426 PolarHBondContact NE-OE1 3.44Å; R422-E426 IonicContact NE-OE2 2.87Å; R422-E426 IonicContact NH2-OE1 3.11Å; R422-E426 PolarHBondContact NH2-OE1 3.39Å; R422-E426 VanDerWaalsContact NH2-OE1 3.11Å; R422-E426 WeakPolarHBondContact O-CB 3.29Å; R422-E426 WeakPolarHBondContact O-CG 3.49Å; R422-E426 PolarHBondContact O-N 3.01Å
423	R	86	Confident	80.5	Confident	187 Å²	187	56.8 Å²	56.8	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-66.4	-39.6	-179	-63.8	-175.4	-164	160.5	4.1	111	T421 E426 Y427	T421-R423 PolarHBondContact O-N 3.17Å; T421-R423 PolarHBondContact OG1-N 3.06Å; R423-E426 PolarHBondContact O-N 3.29Å; R423-Y427 WeakPolarHBondContact O-CB 3.28Å; R423-Y427 PolarHBondContact O-N 3.01Å
424	D	88.8	Confident	83.1	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-45.6	178.5	-54.5	-43.6	0	0	0	111	F420 T421 R422 Y427 S428	F420-D424 HydrophobicContact CB-CB 4.31Å; F420-D424 HydrophobicContact CD1-CB 3.98Å; T421-D424 WeakPolarHBondContact CB-OD2 3.47Å; T421-D424 WeakPolarHBondContact CG2-OD2 3.46Å; T421-D424 PolarHBondContact N-OD2 3.42Å; T421-D424 PolarHBondContact O-N 3.23Å; T421-D424 PolarHBondContact OG1-N 3.34Å; T421-D424 PolarHBondContact OG1-OD2 2.9Å; R422-D424 VanDerWaalsContact C-N 3.34Å; D424-Y427 PolarHBondContact O-N 2.96Å; D424-S428 WeakPolarHBondContact O-CB 3.35Å; D424-S428 PolarHBondContact O-N 3.48Å; D424-S428 PolarHBondContact O-OG 3.06Å
425	L	89.8	Confident	85.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-45.8	176.9	-67.1	176.3	0	0	0	112.6	F270 P271 V277 L339 L347 F420 T421 R422 Y427 S428 F429	F270-L425 HydrophobicContact CE2-CB 4.23Å; F270-L425 HydrophobicContact CE2-CD1 4.08Å; F270-L425 HydrophobicContact CZ-CB 4.02Å; F270-L425 HydrophobicContact CZ-CD1 4.4Å; P271-L425 HydrophobicContact CG-CD1 3.61Å; V277-L425 HydrophobicContact CB-CD1 4.4Å; V277-L425 HydrophobicContact CG2-CD1 3.83Å; L339-L425 HydrophobicContact CD1-CD1 4.12Å; L347-L425 HydrophobicContact CD1-CD2 3.55Å; L347-L425 HydrophobicContact CD2-CD2 4.04Å; L347-L425 HydrophobicContact CG-CD2 3.87Å; F420-L425 HydrophobicContact CB-CD2 4.38Å; F420-L425 HydrophobicContact CB-CG 4.43Å; T421-L425 PolarHBondContact O-N 3.49Å; T421-L425 VanDerWaalsContact O-N 3.14Å; R422-L425 PolarHBondContact O-N 3.23Å; L425-Y427 VanDerWaalsContact C-N 3.26Å; L425-Y427 PolarHBondContact O-N 3.21Å; L425-S428 PolarHBondContact O-N 3.4Å; L425-F429 WeakPolarHBondContact O-CB 2.7Å; L425-F429 PolarHBondContact O-N 3.43Å
426	E	90.4	Very high	87.9	Confident	40 Å²	40	47.8 Å²	47.8	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-37.2	176.8	-73.8	178.7	162	0	0	110.5	F270 K337 R422 R423 F430	F270-E426 HydrophobicContact CE1-CG 3.93Å; F270-E426 HydrophobicContact CZ-CG 3.9Å; K337-E426 IonicContact NZ-OE1 3.12Å; K337-E426 PolarHBondContact NZ-OE1 3.05Å; R422-E426 HydrophobicContact CG-CG 4.4Å; R422-E426 IonicContact CZ-OE1 2.87Å; R422-E426 IonicContact NE-OE1 3.29Å; R422-E426 PolarHBondContact NE-OE1 3.44Å; R422-E426 IonicContact NE-OE2 2.87Å; R422-E426 IonicContact NH2-OE1 3.11Å; R422-E426 PolarHBondContact NH2-OE1 3.39Å; R422-E426 VanDerWaalsContact NH2-OE1 3.11Å; R422-E426 WeakPolarHBondContact O-CB 3.29Å; R422-E426 WeakPolarHBondContact O-CG 3.49Å; R422-E426 PolarHBondContact O-N 3.01Å; R423-E426 PolarHBondContact O-N 3.29Å; E426-F430 WeakPolarHBondContact O-CB 3.33Å; E426-F430 PolarHBondContact O-N 3.05Å
427	Y	92.6	Very high	90	Very high	59 Å²	59	39.4 Å²	39.4	23%	0.231	18%	0.176	C	C	.	.	H	α-helix	trans	-69.8	-48.9	176.3	-169.9	-109.5	0	0	0	112.8	F390 R423 D424 L425 F429 F430 V431 L491 P493	F390-Y427 AromaticContact CE2-CD2 3.78Å; F390-Y427 HydrophobicContact CE2-CD2 3.78Å; F390-Y427 AromaticContact CE2-CE2 3.93Å; F390-Y427 HydrophobicContact CE2-CE2 3.93Å; F390-Y427 HydrophobicContact CZ-CD2 4.27Å; F390-Y427 AromaticContact CZ-CE2 3.95Å; F390-Y427 HydrophobicContact CZ-CE2 3.95Å; R423-Y427 WeakPolarHBondContact O-CB 3.28Å; R423-Y427 PolarHBondContact O-N 3.01Å; D424-Y427 PolarHBondContact O-N 2.96Å; L425-Y427 VanDerWaalsContact C-N 3.26Å; L425-Y427 PolarHBondContact O-N 3.21Å; Y427-F429 VanDerWaalsContact C-N 3.26Å; Y427-F429 PolarHBondContact O-N 3.48Å; Y427-F430 AromaticContact CD2-CD1 3.92Å; Y427-F430 HydrophobicContact CD2-CD1 3.92Å; Y427-F430 AromaticContact CE2-CD1 3.74Å; Y427-F430 HydrophobicContact CE2-CD1 3.74Å; Y427-F430 AromaticContact CE2-CE1 3.95Å; Y427-F430 HydrophobicContact CE2-CE1 3.95Å; Y427-F430 WeakPolarHBondContact O-CB 3.37Å; Y427-F430 PolarHBondContact O-N 3.16Å; Y427-F430 VanDerWaalsContact O-N 3.13Å; Y427-V431 HydrophobicContact CD1-CG2 4.14Å; Y427-V431 HydrophobicContact CE1-CG2 3.71Å; Y427-V431 HydrophobicContact CE2-CG2 4.29Å; Y427-V431 WeakPolarHBondContact O-CG2 3.46Å; Y427-V431 PolarHBondContact O-N 2.86Å; Y427-L491 PolarHBondContact OH-O 2.87Å; Y427-P493 HydrophobicContact CE2-CG 4.03Å; Y427-P493 VanDerWaalsContact OH-CD 3.27Å; Y427-P493 WeakPolarHBondContact OH-CD 3.49Å; Y427-P493 WeakPolarHBondContact OH-CG 3.14Å
428	S	94	Very high	91.8	Very high	13 Å²	13	30.4 Å²	30.4	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-41.7	175.9	-67.5	0	0	0	0	111.5	D424 L425 V431 H432	D424-S428 WeakPolarHBondContact O-CB 3.35Å; D424-S428 PolarHBondContact O-N 3.48Å; D424-S428 PolarHBondContact O-OG 3.06Å; L425-S428 PolarHBondContact O-N 3.4Å; S428-V431 PolarHBondContact O-N 3.37Å; S428-H432 WeakPolarHBondContact O-CB 3.44Å; S428-H432 PolarHBondContact O-N 2.95Å
429	F	94.2	Very high	92.7	Very high	12 Å²	12	31.6 Å²	31.6	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-68.6	-38.2	177.1	-173.9	-159	0	0	0	112.4	V342 H343 S346 Q386 L425 Y427 H432 S433	V342-F429 HydrophobicContact CB-CE2 4.26Å; V342-F429 HydrophobicContact CB-CZ 4.48Å; V342-F429 HydrophobicContact CG1-CD1 4.46Å; V342-F429 HydrophobicContact CG1-CD2 4.29Å; V342-F429 HydrophobicContact CG1-CE1 3.95Å; V342-F429 HydrophobicContact CG1-CE2 3.81Å; V342-F429 HydrophobicContact CG1-CZ 3.61Å; V342-F429 HydrophobicContact CG2-CD2 3.86Å; V342-F429 HydrophobicContact CG2-CE2 3.41Å; V342-F429 VanDerWaalsContact CG2-CE2 3.41Å; V342-F429 HydrophobicContact CG2-CZ 4.05Å; H343-F429 AromaticContact CD2-CD1 3.82Å; H343-F429 AromaticContact NE2-CD1 3.68Å; S346-F429 PolarHBondContact OG-N 3.39Å; Q386-F429 VanDerWaalsContact CD-CD1 3.44Å; Q386-F429 VanDerWaalsContact CD-CE1 3.42Å; Q386-F429 HydrophobicContact CG-CD1 3.61Å; Q386-F429 HydrophobicContact CG-CD2 4.22Å; Q386-F429 HydrophobicContact CG-CE1 3.51Å; Q386-F429 HydrophobicContact CG-CE2 4.09Å; Q386-F429 HydrophobicContact CG-CG 3.98Å; Q386-F429 HydrophobicContact CG-CZ 3.74Å; L425-F429 WeakPolarHBondContact O-CB 2.7Å; L425-F429 PolarHBondContact O-N 3.43Å; Y427-F429 VanDerWaalsContact C-N 3.26Å; Y427-F429 PolarHBondContact O-N 3.48Å; F429-H432 PolarHBondContact O-N 2.97Å; F429-S433 WeakPolarHBondContact CD2-OG 3.43Å; F429-S433 VanDerWaalsContact CE2-OG 3.28Å; F429-S433 WeakPolarHBondContact CE2-OG 3.43Å; F429-S433 VanDerWaalsContact O-CB 3.25Å; F429-S433 WeakPolarHBondContact O-CB 3.45Å; F429-S433 PolarHBondContact O-N 3.41Å; F429-S433 PolarHBondContact O-OG 2.83Å
430	F	95.7	Very high	93.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-57.6	-50.8	170.8	155.5	-104	0	0	0	111.8	F390 E426 Y427 H432 S433 L434 I473 P493	F390-F430 HydrophobicContact CB-CD2 3.7Å; F390-F430 HydrophobicContact CB-CE2 4.13Å; F390-F430 HydrophobicContact CB-CG 4.07Å; F390-F430 HydrophobicContact CD1-CD1 4.27Å; F390-F430 HydrophobicContact CD1-CD2 4.05Å; F390-F430 AromaticContact CD1-CE1 3.98Å; F390-F430 HydrophobicContact CD1-CE1 3.98Å; F390-F430 AromaticContact CD1-CE2 3.74Å; F390-F430 HydrophobicContact CD1-CE2 3.74Å; F390-F430 HydrophobicContact CD1-CG 4.3Å; F390-F430 AromaticContact CD1-CZ 3.7Å; F390-F430 HydrophobicContact CD1-CZ 3.7Å; F390-F430 HydrophobicContact CD2-CD1 4.16Å; F390-F430 HydrophobicContact CD2-CG 4.11Å; F390-F430 HydrophobicContact CE1-CD1 4.41Å; F390-F430 AromaticContact CE1-CE1 3.92Å; F390-F430 HydrophobicContact CE1-CE1 3.92Å; F390-F430 HydrophobicContact CE1-CE2 4.44Å; F390-F430 AromaticContact CE1-CZ 3.94Å; F390-F430 HydrophobicContact CE1-CZ 3.94Å; F390-F430 HydrophobicContact CE2-CD1 4.32Å; F390-F430 HydrophobicContact CG-CD1 4.14Å; F390-F430 AromaticContact CG-CD2 3.83Å; F390-F430 HydrophobicContact CG-CD2 3.83Å; F390-F430 HydrophobicContact CG-CE1 4.32Å; F390-F430 HydrophobicContact CG-CE2 4.02Å; F390-F430 AromaticContact CG-CG 3.89Å; F390-F430 HydrophobicContact CG-CG 3.89Å; F390-F430 HydrophobicContact CG-CZ 4.27Å; F390-F430 HydrophobicContact CZ-CD1 4.44Å; F390-F430 HydrophobicContact CZ-CE1 4.23Å; E426-F430 WeakPolarHBondContact O-CB 3.33Å; E426-F430 PolarHBondContact O-N 3.05Å; Y427-F430 AromaticContact CD2-CD1 3.92Å; Y427-F430 HydrophobicContact CD2-CD1 3.92Å; Y427-F430 AromaticContact CE2-CD1 3.74Å; Y427-F430 HydrophobicContact CE2-CD1 3.74Å; Y427-F430 AromaticContact CE2-CE1 3.95Å; Y427-F430 HydrophobicContact CE2-CE1 3.95Å; Y427-F430 WeakPolarHBondContact O-CB 3.37Å; Y427-F430 PolarHBondContact O-N 3.16Å; Y427-F430 VanDerWaalsContact O-N 3.13Å; F430-H432 VanDerWaalsContact C-N 3.34Å; F430-H432 PolarHBondContact O-N 3.4Å; F430-S433 WeakPolarHBondContact O-CB 3.48Å; F430-S433 PolarHBondContact O-N 3.33Å; F430-L434 HydrophobicContact CE2-CB 4.41Å; F430-L434 HydrophobicContact CE2-CD2 4.37Å; F430-L434 HydrophobicContact CZ-CD2 3.91Å; F430-L434 WeakPolarHBondContact O-CB 3.37Å; F430-L434 PolarHBondContact O-N 3.37Å; F430-I473 HydrophobicContact CE2-CD1 3.94Å; F430-I473 HydrophobicContact CZ-CD1 4.33Å; F430-I473 HydrophobicContact CZ-CG2 4.34Å; F430-P493 HydrophobicContact CE1-CB 4.48Å
431	V	96.6	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-45.7	-179.3	176.9	0	0	0	0	110.6	I350 Y427 S428 S433 L434 C435 L491 L496	I350-V431 HydrophobicContact CD1-CB 4.27Å; I350-V431 HydrophobicContact CD1-CG1 4.36Å; I350-V431 HydrophobicContact CD1-CG2 4.47Å; I350-V431 HydrophobicContact CG1-CB 3.86Å; I350-V431 HydrophobicContact CG1-CG1 3.8Å; Y427-V431 HydrophobicContact CD1-CG2 4.14Å; Y427-V431 HydrophobicContact CE1-CG2 3.71Å; Y427-V431 HydrophobicContact CE2-CG2 4.29Å; Y427-V431 WeakPolarHBondContact O-CG2 3.46Å; Y427-V431 PolarHBondContact O-N 2.86Å; S428-V431 PolarHBondContact O-N 3.37Å; V431-S433 VanDerWaalsContact C-N 3.32Å; V431-S433 PolarHBondContact O-N 2.98Å; V431-L434 PolarHBondContact O-N 2.68Å; V431-C435 PolarHBondContact O-N 2.74Å; V431-C435 PolarHBondContact O-SG 2.89Å; V431-C435 VanDerWaalsContact O-SG 3.37Å; V431-L491 HydrophobicContact CG1-CD2 4.24Å; V431-L496 HydrophobicContact CB-CD1 4.13Å; V431-L496 HydrophobicContact CG1-CD1 3.59Å; V431-L496 HydrophobicContact CG1-CD2 4.04Å; V431-L496 HydrophobicContact CG1-CG 4.47Å; V431-L496 HydrophobicContact CG2-CD1 3.53Å
432	H	96.9	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-44.7	177.1	-166.4	93.4	0	0	0	111.8	D349 I350 W354 S428 F429 F430 C435 I436	D349-H432 PolarHBondContact O-CE1 3.37Å; D349-H432 VanDerWaalsContact O-CE1 3.23Å; D349-H432 PolarHBondContact O-ND1 3.12Å; I350-H432 WeakPolarHBondContact O-CA 3.25Å; I350-H432 PolarHBondContact O-N 3.11Å; W354-H432 AromaticContact NE1-CE1 3.35Å; W354-H432 PolarHBondContact NE1-CE1 2.95Å; W354-H432 AromaticContact NE1-NE2 3.45Å; W354-H432 PolarHBondContact NE1-NE2 3.07Å; S428-H432 WeakPolarHBondContact O-CB 3.44Å; S428-H432 PolarHBondContact O-N 2.95Å; F429-H432 PolarHBondContact O-N 2.97Å; F430-H432 VanDerWaalsContact C-N 3.34Å; F430-H432 PolarHBondContact O-N 3.4Å; H432-C435 PolarHBondContact O-N 3.31Å; H432-I436 VanDerWaalsContact CD2-CD1 3.49Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.28Å; H432-I436 WeakPolarHBondContact O-CG1 3.48Å; H432-I436 PolarHBondContact O-N 3.47Å
433	S	97.5	Very high	94.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-42.8	177.5	-62.6	0	0	0	0	112.2	F429 F430 V431 C435 I436 L437	F429-S433 WeakPolarHBondContact CD2-OG 3.43Å; F429-S433 VanDerWaalsContact CE2-OG 3.28Å; F429-S433 WeakPolarHBondContact CE2-OG 3.43Å; F429-S433 VanDerWaalsContact O-CB 3.25Å; F429-S433 WeakPolarHBondContact O-CB 3.45Å; F429-S433 PolarHBondContact O-N 3.41Å; F429-S433 PolarHBondContact O-OG 2.83Å; F430-S433 WeakPolarHBondContact O-CB 3.48Å; F430-S433 PolarHBondContact O-N 3.33Å; V431-S433 VanDerWaalsContact C-N 3.32Å; V431-S433 PolarHBondContact O-N 2.98Å; S433-C435 VanDerWaalsContact C-N 3.34Å; S433-C435 PolarHBondContact O-N 3.22Å; S433-I436 PolarHBondContact O-N 3.19Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 WeakPolarHBondContact O-CG 3.44Å; S433-L437 PolarHBondContact O-N 3.4Å
434	L	97.6	Very high	94.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-61.1	-43	176.1	176.7	59.5	0	0	0	111.3	F430 V431 L437 G438 L470 L496 V497 V500	F430-L434 HydrophobicContact CE2-CB 4.41Å; F430-L434 HydrophobicContact CE2-CD2 4.37Å; F430-L434 HydrophobicContact CZ-CD2 3.91Å; F430-L434 WeakPolarHBondContact O-CB 3.37Å; F430-L434 PolarHBondContact O-N 3.37Å; V431-L434 PolarHBondContact O-N 2.68Å; L434-L437 PolarHBondContact O-N 3.02Å; L434-G438 PolarHBondContact O-N 3.41Å; L434-L470 HydrophobicContact CD1-CD1 4.13Å; L434-L470 HydrophobicContact CD1-CD2 3.42Å; L434-L470 VanDerWaalsContact CD1-CD2 3.42Å; L434-L470 HydrophobicContact CD1-CG 4.42Å; L434-L496 HydrophobicContact CD2-CB 3.68Å; L434-V497 HydrophobicContact CD2-CG2 4.12Å; L434-V500 HydrophobicContact CD1-CG2 4.12Å; L434-V500 HydrophobicContact CG-CG2 4.27Å
435	C	96.8	Very high	95.1	Very high	18 Å²	18	18 Å²	18	12%	0.122	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-43.2	176.4	-68.7	0	0	0	0	112.2	K351 A352 V431 H432 S433 K439	K351-C435 WeakPolarHBondContact O-CB 3.33Å; A352-C435 HydrophobicContact CB-CB 4.07Å; V431-C435 PolarHBondContact O-N 2.74Å; V431-C435 PolarHBondContact O-SG 2.89Å; V431-C435 VanDerWaalsContact O-SG 3.37Å; H432-C435 PolarHBondContact O-N 3.31Å; S433-C435 VanDerWaalsContact C-N 3.34Å; S433-C435 PolarHBondContact O-N 3.22Å; C435-K439 WeakPolarHBondContact O-CB 3.32Å; C435-K439 PolarHBondContact O-N 3.12Å
436	I	97.6	Very high	95.4	Very high	28 Å²	28	18 Å²	18	14%	0.144	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-52.1	175.2	-70.8	174.5	0	0	0	110.6	A352 W354 F355 H432 S433 K439 L440	A352-I436 HydrophobicContact CB-CD1 4.4Å; A352-I436 HydrophobicContact CB-CG1 3.72Å; W354-I436 HydrophobicContact CZ2-CD1 4.24Å; F355-I436 HydrophobicContact CB-CG1 4.32Å; F355-I436 HydrophobicContact CD1-CB 4.29Å; F355-I436 HydrophobicContact CD1-CG1 4.13Å; F355-I436 HydrophobicContact CD1-CG2 4.14Å; F355-I436 HydrophobicContact CE1-CB 4.44Å; F355-I436 HydrophobicContact CE1-CG2 3.88Å; F355-I436 HydrophobicContact CG-CG1 4.19Å; F355-I436 HydrophobicContact CZ-CG2 4.13Å; H432-I436 VanDerWaalsContact CD2-CD1 3.49Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.28Å; H432-I436 WeakPolarHBondContact O-CG1 3.48Å; H432-I436 PolarHBondContact O-N 3.47Å; S433-I436 PolarHBondContact O-N 3.19Å; I436-K439 PolarHBondContact O-N 3.25Å; I436-L440 WeakPolarHBondContact O-CB 3.25Å; I436-L440 PolarHBondContact O-N 3.46Å
437	L	97.9	Very high	95.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-46.2	-178.8	-70.9	175	0	0	0	111.5	I380 A383 L384 S433 L434 K439 L440 I441 L466	I380-L437 HydrophobicContact CG2-CD2 3.84Å; A383-L437 HydrophobicContact CB-CD1 4.22Å; A383-L437 HydrophobicContact CB-CD2 4.18Å; A383-L437 HydrophobicContact CB-CG 3.99Å; L384-L437 HydrophobicContact CB-CD1 4.41Å; L384-L437 HydrophobicContact CD1-CD1 4.44Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 WeakPolarHBondContact O-CG 3.44Å; S433-L437 PolarHBondContact O-N 3.4Å; L434-L437 PolarHBondContact O-N 3.02Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3Å; L437-L440 HydrophobicContact CD2-CD2 4.46Å; L437-L440 WeakPolarHBondContact O-CB 3.33Å; L437-L440 PolarHBondContact O-N 3.12Å; L437-L440 VanDerWaalsContact O-N 3.08Å; L437-I441 WeakPolarHBondContact O-CG1 3.47Å; L437-I441 PolarHBondContact O-N 3.08Å; L437-L466 HydrophobicContact CD1-CD1 4.34Å
438	G	96.1	Very high	95.7	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-56.8	-43	177	0	0	0	0	0	111.8	L434 I441 I442	L434-G438 PolarHBondContact O-N 3.41Å; G438-I441 WeakPolarHBondContact O-CG1 3.37Å; G438-I442 WeakPolarHBondContact O-CD1 3.45Å; G438-I442 WeakPolarHBondContact O-CG1 3.44Å
439	K	95.8	Very high	95.8	Very high	32 Å²	32	20.9 Å²	20.9	14%	0.139	10%	0.104	C	C	.	.	H	α-helix	trans	-70	-34.3	176	-164.9	65.8	175.5	-178.4	0	113.1	F355 N356 M359 C435 I436 L437 I442 Y443	F355-K439 HydrophobicContact CD1-CB 4.18Å; F355-K439 HydrophobicContact CD1-CG 4.43Å; F355-K439 HydrophobicContact CE1-CB 4.22Å; N356-K439 WeakPolarHBondContact OD1-CB 3.48Å; N356-K439 WeakPolarHBondContact OD1-CD 3.45Å; N356-K439 VanDerWaalsContact OD1-CG 3.27Å; N356-K439 WeakPolarHBondContact OD1-CG 3.45Å; M359-K439 HydrophobicContact CB-CG 3.76Å; M359-K439 HydrophobicContact CG-CG 4.05Å; C435-K439 WeakPolarHBondContact O-CB 3.32Å; C435-K439 PolarHBondContact O-N 3.12Å; I436-K439 PolarHBondContact O-N 3.25Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3Å; K439-I442 HydrophobicContact CD-CD1 4.3Å; K439-Y443 HydrophobicContact CD-CE2 4.45Å; K439-Y443 HydrophobicContact CG-CE2 4.48Å; K439-Y443 VanDerWaalsContact O-CD2 3.27Å; K439-Y443 WeakPolarHBondContact O-CD2 3.5Å; K439-Y443 WeakPolarHBondContact O-CE2 3.17Å
440	L	96.3	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.5	-49.5	179.5	-174.8	71.2	0	0	0	111.8	M359 L369 L372 I380 I436 L437 I442 Y443 L449 F450	M359-L440 HydrophobicContact CE-CD1 4.28Å; L369-L440 HydrophobicContact CD2-CD1 3.43Å; L369-L440 VanDerWaalsContact CD2-CD1 3.43Å; L372-L440 HydrophobicContact CD1-CD1 4.17Å; I380-L440 HydrophobicContact CD1-CD2 3.98Å; I380-L440 HydrophobicContact CG1-CD2 4.29Å; I380-L440 HydrophobicContact CG2-CD2 3.94Å; I436-L440 WeakPolarHBondContact O-CB 3.25Å; I436-L440 PolarHBondContact O-N 3.46Å; L437-L440 HydrophobicContact CD2-CD2 4.46Å; L437-L440 WeakPolarHBondContact O-CB 3.33Å; L437-L440 PolarHBondContact O-N 3.12Å; L437-L440 VanDerWaalsContact O-N 3.08Å; L440-I442 VanDerWaalsContact C-N 3.25Å; L440-I442 PolarHBondContact O-N 3.32Å; L440-Y443 PolarHBondContact O-N 3.33Å; L440-L449 HydrophobicContact CD1-CD1 3.91Å; L440-L449 HydrophobicContact CD2-CD1 4.17Å; L440-L449 HydrophobicContact CG-CD1 4.42Å; L440-F450 HydrophobicContact CD2-CE2 4.43Å
441	I	96	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.4	-13.8	-173	62.2	173.9	0	0	0	113.9	L437 G438 Y443 R447 F450 L463 L466 I467 V500 L504	L437-I441 WeakPolarHBondContact O-CG1 3.47Å; L437-I441 PolarHBondContact O-N 3.08Å; G438-I441 WeakPolarHBondContact O-CG1 3.37Å; I441-Y443 PolarHBondContact O-N 2.87Å; I441-R447 HydrophobicContact CB-CG 4.3Å; I441-R447 WeakPolarHBondContact O-CD 3.39Å; I441-R447 WeakPolarHBondContact O-CG 3.49Å; I441-R447 PolarHBondContact O-NH1 3.38Å; I441-F450 HydrophobicContact CG2-CE2 3.76Å; I441-F450 HydrophobicContact CG2-CZ 4.24Å; I441-L463 HydrophobicContact CB-CD1 4.07Å; I441-L463 HydrophobicContact CG2-CD1 3.63Å; I441-L466 HydrophobicContact CG2-CD2 4.35Å; I441-I467 HydrophobicContact CD1-CD1 3.95Å; I441-V500 HydrophobicContact CD1-CG1 4.4Å; I441-L504 HydrophobicContact CD1-CD1 3.81Å; I441-L504 HydrophobicContact CD1-CD2 4.12Å; I441-L504 HydrophobicContact CD1-CG 4.42Å; I441-L504 HydrophobicContact CG1-CD2 4.01Å
442	I	94.8	Very high	95.8	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.5	169.8	-74.2	169.3	0	0	0	111.9	G438 K439 L440 R447 M503 L504 C510	G438-I442 WeakPolarHBondContact O-CD1 3.45Å; G438-I442 WeakPolarHBondContact O-CG1 3.44Å; K439-I442 HydrophobicContact CD-CD1 4.3Å; L440-I442 VanDerWaalsContact C-N 3.25Å; L440-I442 PolarHBondContact O-N 3.32Å; I442-R447 PolarHBondContact O-NH1 2.77Å; I442-M503 HydrophobicContact CD1-CB 3.77Å; I442-M503 HydrophobicContact CD1-CE 4.2Å; I442-M503 HydrophobicContact CD1-CG 4.34Å; I442-M503 HydrophobicContact CD1-SD 3.78Å; I442-M503 HydrophobicContact CG1-CB 4.43Å; I442-L504 HydrophobicContact CG1-CD2 4.29Å; I442-C510 PolarHBondContact O-SG 3.07Å
443	Y	94	Very high	95.6	Very high	19 Å²	19	32.3 Å²	32.3	8%	0.075	16%	0.161	C	C	.	.	S	Bend	trans	-111.5	138.9	-177.7	-58.7	-80.2	0	0	0	111.9	M359 R365 K439 L440 I441 N445 G446 R447	M359-Y443 HydrophobicContact CB-CE2 3.96Å; M359-Y443 HydrophobicContact CE-CD2 3.63Å; M359-Y443 HydrophobicContact CE-CE2 4.05Å; M359-Y443 HydrophobicContact CE-CG 4.49Å; M359-Y443 VanDerWaalsContact O-CZ 3.26Å; M359-Y443 PolarHBondContact O-OH 3.43Å; R365-Y443 VanDerWaalsContact CD-CD1 3.45Å; R365-Y443 VanDerWaalsContact CD-CG 3.46Å; R365-Y443 VanDerWaalsContact CZ-CE1 3.41Å; K439-Y443 HydrophobicContact CD-CE2 4.45Å; K439-Y443 HydrophobicContact CG-CE2 4.48Å; K439-Y443 VanDerWaalsContact O-CD2 3.27Å; K439-Y443 WeakPolarHBondContact O-CD2 3.5Å; K439-Y443 WeakPolarHBondContact O-CE2 3.17Å; L440-Y443 PolarHBondContact O-N 3.33Å; I441-Y443 PolarHBondContact O-N 2.87Å; Y443-N445 VanDerWaalsContact C-N 3.34Å; Y443-N445 PolarHBondContact O-N 3.33Å; Y443-G446 WeakPolarHBondContact O-CA 3.32Å; Y443-G446 PolarHBondContact O-N 2.68Å; Y443-R447 PolarHBondContact O-N 3.06Å
444	T	93.3	Very high	95.1	Very high	61 Å²	61	32.4 Å²	32.4	37%	0.374	16%	0.161	S	C	.	.	H	α-helix	trans	-54.7	-45.6	-176.4	-47.7	0	0	0	0	112.9	G446 R447 K448	T444-G446 VanDerWaalsContact C-N 3.29Å; T444-G446 PolarHBondContact O-N 3.04Å; T444-R447 PolarHBondContact O-N 2.98Å; T444-R447 PolarHBondContact OG1-NH2 3.2Å; T444-K448 WeakPolarHBondContact O-CG 3.16Å; T444-K448 PolarHBondContact O-N 3.09Å
445	N	93.8	Very high	94.2	Very high	81 Å²	81	43.8 Å²	43.8	43%	0.433	20%	0.204	S	C	.	.	H	α-helix	trans	-71.3	-22.4	177.4	-71.3	-17.1	0	0	0	113.2	L369 Y443 K448	L369-N445 HydrophobicContact CD1-CB 3.67Å; Y443-N445 VanDerWaalsContact C-N 3.34Å; Y443-N445 PolarHBondContact O-N 3.33Å; N445-K448 PolarHBondContact OD1-NZ 3.27Å
446	G	95.3	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-39.3	170.5	0	0	0	0	0	112.1	Y443 T444 K448 L449	Y443-G446 WeakPolarHBondContact O-CA 3.32Å; Y443-G446 PolarHBondContact O-N 2.68Å; T444-G446 VanDerWaalsContact C-N 3.29Å; T444-G446 PolarHBondContact O-N 3.04Å; G446-K448 VanDerWaalsContact C-N 3.29Å; G446-K448 PolarHBondContact O-N 2.9Å; G446-L449 VanDerWaalsContact O-CB 3.31Å; G446-L449 WeakPolarHBondContact O-CB 3.2Å; G446-L449 WeakPolarHBondContact O-CG 3.35Å; G446-L449 PolarHBondContact O-N 3.38Å; G446-L449 VanDerWaalsContact O-N 3.15Å
447	R	95.3	Very high	92.2	Very high	15 Å²	15	53.4 Å²	53.4	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-34.4	174.1	-65.7	-168.3	-65.7	-83.4	9.4	112.7	I441 I442 Y443 T444 L449 F450 L463 C510 D513	I441-R447 HydrophobicContact CB-CG 4.3Å; I441-R447 WeakPolarHBondContact O-CD 3.39Å; I441-R447 WeakPolarHBondContact O-CG 3.49Å; I441-R447 PolarHBondContact O-NH1 3.38Å; I442-R447 PolarHBondContact O-NH1 2.77Å; Y443-R447 PolarHBondContact O-N 3.06Å; T444-R447 PolarHBondContact O-N 2.98Å; T444-R447 PolarHBondContact OG1-NH2 3.2Å; R447-L449 PolarHBondContact O-N 3.48Å; R447-L449 VanDerWaalsContact O-N 3.12Å; R447-F450 WeakPolarHBondContact O-CB 3.25Å; R447-F450 PolarHBondContact O-N 2.85Å; R447-F450 VanDerWaalsContact O-N 3.08Å; R447-L463 HydrophobicContact CB-CD2 4.16Å; R447-L463 HydrophobicContact CG-CD2 3.97Å; R447-C510 PolarHBondContact NH1-SG 3.13Å; R447-D513 IonicContact CZ-OD2 3.54Å; R447-D513 VanDerWaalsContact CZ-OD2 3.29Å; R447-D513 IonicContact NE-OD2 2.69Å; R447-D513 PolarHBondContact NE-OD2 3.44Å; R447-D513 IonicContact NH2-OD2 3.82Å; R447-D513 PolarHBondContact NH2-OD2 3.36Å
448	K	95	Very high	91.3	Very high	140 Å²	140	62.7 Å²	62.7	61%	0.609	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.9	175.3	-69.8	176.7	-173.1	166.9	0	114.5	T444 N445 G446 F450	T444-K448 WeakPolarHBondContact O-CG 3.16Å; T444-K448 PolarHBondContact O-N 3.09Å; N445-K448 PolarHBondContact OD1-NZ 3.27Å; G446-K448 VanDerWaalsContact C-N 3.29Å; G446-K448 PolarHBondContact O-N 2.9Å; K448-F450 PolarHBondContact O-N 3Å
449	L	95.4	Very high	90.9	Very high	17 Å²	17	68.8 Å²	68.8	9%	0.089	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.2	175	-56.1	178.3	0	0	0	112.3	L369 L372 E373 I380 L440 G446 R447 I452	L369-L449 HydrophobicContact CD2-CD1 4.22Å; L372-L449 HydrophobicContact CB-CD1 4.35Å; E373-L449 HydrophobicContact CB-CD2 3.65Å; E373-L449 HydrophobicContact CG-CD2 3.9Å; I380-L449 HydrophobicContact CD1-CB 4.25Å; I380-L449 HydrophobicContact CD1-CD1 3.32Å; I380-L449 HydrophobicContact CD1-CG 4.32Å; L440-L449 HydrophobicContact CD1-CD1 3.91Å; L440-L449 HydrophobicContact CD2-CD1 4.17Å; L440-L449 HydrophobicContact CG-CD1 4.42Å; G446-L449 VanDerWaalsContact O-CB 3.31Å; G446-L449 WeakPolarHBondContact O-CB 3.2Å; G446-L449 WeakPolarHBondContact O-CG 3.35Å; G446-L449 PolarHBondContact O-N 3.38Å; G446-L449 VanDerWaalsContact O-N 3.15Å; R447-L449 PolarHBondContact O-N 3.48Å; R447-L449 VanDerWaalsContact O-N 3.12Å; L449-I452 WeakPolarHBondContact O-CG1 3.34Å
450	F	96.3	Very high	90.8	Very high	23 Å²	23	70 Å²	70	10%	0.101	33%	0.328	C	S	.	.			trans	-90.4	147	171.8	-66.1	-97.9	0	0	0	110.7	L384 L440 I441 R447 K448 I452 L463 L466	L384-F450 HydrophobicContact CD2-CE1 4.24Å; L440-F450 HydrophobicContact CD2-CE2 4.43Å; I441-F450 HydrophobicContact CG2-CE2 3.76Å; I441-F450 HydrophobicContact CG2-CZ 4.24Å; R447-F450 WeakPolarHBondContact O-CB 3.25Å; R447-F450 PolarHBondContact O-N 2.85Å; R447-F450 VanDerWaalsContact O-N 3.08Å; K448-F450 PolarHBondContact O-N 3Å; F450-I452 HydrophobicContact CD1-CD1 3.93Å; F450-I452 HydrophobicContact CD1-CG1 3.89Å; F450-I452 HydrophobicContact CD2-CD1 4.46Å; F450-I452 HydrophobicContact CE1-CD1 3.68Å; F450-I452 HydrophobicContact CE1-CG1 4.13Å; F450-I452 HydrophobicContact CE2-CD1 4.23Å; F450-I452 HydrophobicContact CG-CD1 4.32Å; F450-I452 HydrophobicContact CG-CG1 4.25Å; F450-I452 HydrophobicContact CZ-CD1 3.84Å; F450-L463 HydrophobicContact CB-CB 4.27Å; F450-L463 HydrophobicContact CD2-CD1 4.4Å; F450-L463 HydrophobicContact CE2-CD1 4.5Å; F450-L463 HydrophobicContact CG-CB 4.32Å; F450-L466 HydrophobicContact CE1-CB 4.48Å; F450-L466 HydrophobicContact CE1-CD2 4Å; F450-L466 HydrophobicContact CZ-CD2 3.72Å
451	P	95.6	Very high	90.8	Very high	74 Å²	74	70.5 Å²	70.5	48%	0.481	33%	0.331	S	S	.	.	S	Bend	cis	-82.3	156.1	6.4	34.8	-37.7	0	0	0	114.3	P460 V461 T462	P451-P460 HydrophobicContact CB-CB 3.73Å; P451-P460 HydrophobicContact CG-CB 4.17Å; P451-V461 WeakPolarHBondContact CA-O 3.49Å; P451-T462 HydrophobicContact CB-CG2 4.3Å
452	I	94.7	Very high	90.8	Very high	1 Å²	1	73 Å²	73	1%	0.005	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-116.5	122.3	-173.7	-58.4	-177.5	0	0	0	110.5	I380 V381 L384 L449 F450 V461	I380-I452 HydrophobicContact CB-CD1 4.19Å; I380-I452 HydrophobicContact CG2-CD1 3.3Å; V381-I452 HydrophobicContact CB-CG2 4.38Å; V381-I452 HydrophobicContact CG2-CG2 3.49Å; V381-I452 VanDerWaalsContact CG2-CG2 3.49Å; L384-I452 HydrophobicContact CD2-CB 3.88Å; L384-I452 HydrophobicContact CD2-CD1 4.19Å; L384-I452 HydrophobicContact CD2-CG2 4.11Å; L449-I452 WeakPolarHBondContact O-CG1 3.34Å; F450-I452 HydrophobicContact CD1-CD1 3.93Å; F450-I452 HydrophobicContact CD1-CG1 3.89Å; F450-I452 HydrophobicContact CD2-CD1 4.46Å; F450-I452 HydrophobicContact CE1-CD1 3.68Å; F450-I452 HydrophobicContact CE1-CG1 4.13Å; F450-I452 HydrophobicContact CE2-CD1 4.23Å; F450-I452 HydrophobicContact CG-CD1 4.32Å; F450-I452 HydrophobicContact CG-CG1 4.25Å; F450-I452 HydrophobicContact CZ-CD1 3.84Å; I452-V461 PolarHBondContact N-O 3.02Å; I452-V461 PolarHBondContact O-N 3.48Å
453	K	91.8	Very high	90.8	Very high	158 Å²	158	73.6 Å²	73.6	69%	0.687	35%	0.349	S	S	*	.			trans	-78.4	124.2	176.2	-169.1	173.8	-174.7	174.7	0	110.7
454	I	88.3	Confident	90.9	Very high	2 Å²	2	74 Å²	74	1%	0.01	35%	0.353	C	S	.	.			trans	-112	133.2	176.8	-58.5	-179.2	0	0	0	108.4	L384 Q385 L388 K456 H457 V461	L384-I454 HydrophobicContact CB-CD1 4.49Å; L384-I454 HydrophobicContact CD2-CD1 3.74Å; L384-I454 HydrophobicContact CD2-CG1 4.35Å; L384-I454 HydrophobicContact CG-CD1 3.79Å; Q385-I454 HydrophobicContact CG-CD1 4.36Å; Q385-I454 HydrophobicContact CG-CG2 3.64Å; L388-I454 HydrophobicContact CD1-CD1 3.15Å; I454-K456 PolarHBondContact O-N 3.11Å; I454-H457 HydrophobicContact CB-CB 4.42Å; I454-H457 PolarHBondContact O-N 3.18Å; I454-V461 HydrophobicContact CD1-CB 4.34Å; I454-V461 HydrophobicContact CD1-CG2 3.61Å; I454-V461 HydrophobicContact CG1-CG2 4.18Å
455	R	78.4	Confident	91	Very high	240 Å²	240	74.4 Å²	74.4	91%	0.906	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	-175.1	-68.7	-176.5	-179.3	174.9	0.1	114.2
456	K	75.3	Confident	91.2	Very high	184 Å²	184	70.6 Å²	70.6	80%	0.8	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.4	-179.1	-66.7	-175.1	178	-179.8	0	114.4	I454	I454-K456 PolarHBondContact O-N 3.11Å
457	H	77.3	Confident	91.3	Very high	64 Å²	64	70.6 Å²	70.6	30%	0.296	33%	0.333	S	S	.	.			trans	-105.8	138	-178.9	-67.4	-93.3	0	0	0	110	E392 I454	E392-H457 IonicContact OE1-CE1 2.88Å; E392-H457 IonicContact OE1-NE2 3.31Å; I454-H457 HydrophobicContact CB-CB 4.42Å; I454-H457 PolarHBondContact O-N 3.18Å
458	K	78.4	Confident	91.3	Very high	198 Å²	198	71.2 Å²	71.2	86%	0.861	34%	0.338	S	S	*	.	S	Bend	trans	-66.9	-47.1	176.5	-70.1	-174.8	179	179.7	0	110.6
459	D	88.8	Confident	91.3	Very high	129 Å²	129	65.4 Å²	65.4	69%	0.69	32%	0.315	S	S	*	.	S	Bend	trans	-94.7	145.6	-178.3	-58.9	-49.7	0	0	0	111.7	V461	D459-V461 PolarHBondContact O-N 3.01Å
460	P	93.3	Very high	91.4	Very high	59 Å²	59	64.7 Å²	64.7	38%	0.383	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-60	133.4	170.9	-21.8	34.3	0	0	0	110.9	P451 T462	P451-P460 HydrophobicContact CB-CB 3.73Å; P451-P460 HydrophobicContact CG-CB 4.17Å; P460-T462 PolarHBondContact O-N 3.41Å
461	V	95.5	Very high	91.3	Very high	10 Å²	10	63.6 Å²	63.6	6%	0.061	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-75.9	120.5	177.2	-179.4	0	0	0	0	108.8	L384 L388 P451 I452 I454 D459 D465	L384-V461 HydrophobicContact CD1-CG1 4.29Å; L384-V461 HydrophobicContact CD2-CB 3.93Å; L384-V461 HydrophobicContact CD2-CG1 3.94Å; L384-V461 HydrophobicContact CG-CG1 4.5Å; L388-V461 HydrophobicContact CD1-CG2 4.22Å; P451-V461 WeakPolarHBondContact CA-O 3.49Å; I452-V461 PolarHBondContact N-O 3.02Å; I452-V461 PolarHBondContact O-N 3.48Å; I454-V461 HydrophobicContact CD1-CB 4.34Å; I454-V461 HydrophobicContact CD1-CG2 3.61Å; I454-V461 HydrophobicContact CG1-CG2 4.18Å; D459-V461 PolarHBondContact O-N 3.01Å; V461-D465 HydrophobicContact CG1-CB 3.76Å
462	T	96.2	Very high	91.1	Very high	52 Å²	52	62 Å²	62	32%	0.319	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-82.8	170.8	179.8	69.5	0	0	0	0	111.7	P451 P460 T464 D465 L466	P451-T462 HydrophobicContact CB-CG2 4.3Å; P460-T462 PolarHBondContact O-N 3.41Å; T462-T464 VanDerWaalsContact C-N 3.29Å; T462-T464 PolarHBondContact OG1-N 3.37Å; T462-D465 WeakPolarHBondContact CB-OD2 3.17Å; T462-D465 WeakPolarHBondContact CG2-OD2 3.4Å; T462-D465 PolarHBondContact N-OD2 2.84Å; T462-D465 PolarHBondContact O-N 3.19Å; T462-D465 PolarHBondContact OG1-N 3.26Å; T462-D465 VanDerWaalsContact OG1-N 3.12Å; T462-D465 PolarHBondContact OG1-OD2 2.94Å; T462-L466 PolarHBondContact O-N 3.41Å
463	L	95.5	Very high	91	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-41.2	172.4	-179.6	62.4	0	0	0	111.2	I441 R447 F450 L466 I467	I441-L463 HydrophobicContact CB-CD1 4.07Å; I441-L463 HydrophobicContact CG2-CD1 3.63Å; R447-L463 HydrophobicContact CB-CD2 4.16Å; R447-L463 HydrophobicContact CG-CD2 3.97Å; F450-L463 HydrophobicContact CB-CB 4.27Å; F450-L463 HydrophobicContact CD2-CD1 4.4Å; F450-L463 HydrophobicContact CE2-CD1 4.5Å; F450-L463 HydrophobicContact CG-CB 4.32Å; L463-L466 WeakPolarHBondContact O-CB 3.17Å; L463-L466 PolarHBondContact O-N 3.17Å; L463-I467 WeakPolarHBondContact O-CG1 3.42Å; L463-I467 PolarHBondContact O-N 3.03Å; L463-I467 VanDerWaalsContact O-N 3.14Å
464	T	96.1	Very high	91	Very high	26 Å²	26	54.4 Å²	54.4	16%	0.16	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-44.7	176.6	-51.4	0	0	0	0	111.3	T462 L466 I467 V468 Q517 P519 V520	T462-T464 VanDerWaalsContact C-N 3.29Å; T462-T464 PolarHBondContact OG1-N 3.37Å; T464-L466 VanDerWaalsContact C-N 3.31Å; T464-L466 PolarHBondContact O-N 2.92Å; T464-I467 PolarHBondContact O-N 3.32Å; T464-I467 VanDerWaalsContact O-N 3.16Å; T464-V468 WeakPolarHBondContact O-CG2 3.3Å; T464-V468 PolarHBondContact O-N 3.43Å; T464-Q517 HydrophobicContact CG2-CB 4.2Å; T464-P519 HydrophobicContact CG2-CB 3.86Å; T464-P519 HydrophobicContact CG2-CG 3.99Å; T464-V520 HydrophobicContact CG2-CG2 4.02Å
465	D	95.8	Very high	91	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-40.9	177.6	-59.7	-40.1	0	0	0	111.7	V461 T462 V468 V469	V461-D465 HydrophobicContact CG1-CB 3.76Å; T462-D465 WeakPolarHBondContact CB-OD2 3.17Å; T462-D465 WeakPolarHBondContact CG2-OD2 3.4Å; T462-D465 PolarHBondContact N-OD2 2.84Å; T462-D465 PolarHBondContact O-N 3.19Å; T462-D465 PolarHBondContact OG1-N 3.26Å; T462-D465 VanDerWaalsContact OG1-N 3.12Å; T462-D465 PolarHBondContact OG1-OD2 2.94Å; D465-V468 PolarHBondContact O-N 3.48Å; D465-V469 WeakPolarHBondContact O-CG2 3.48Å; D465-V469 PolarHBondContact O-N 3.29Å
466	L	96.9	Very high	91.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-48.9	174.5	171.4	60	0	0	0	111	L384 L437 I441 F450 T462 L463 T464 V468 V469 L470	L384-L466 HydrophobicContact CD1-CB 4.39Å; L384-L466 HydrophobicContact CD1-CD1 3.75Å; L384-L466 HydrophobicContact CD1-CG 4.45Å; L437-L466 HydrophobicContact CD1-CD1 4.34Å; I441-L466 HydrophobicContact CG2-CD2 4.35Å; F450-L466 HydrophobicContact CE1-CB 4.48Å; F450-L466 HydrophobicContact CE1-CD2 4Å; F450-L466 HydrophobicContact CZ-CD2 3.72Å; T462-L466 PolarHBondContact O-N 3.41Å; L463-L466 WeakPolarHBondContact O-CB 3.17Å; L463-L466 PolarHBondContact O-N 3.17Å; T464-L466 VanDerWaalsContact C-N 3.31Å; T464-L466 PolarHBondContact O-N 2.92Å; L466-V468 VanDerWaalsContact C-N 3.29Å; L466-V468 PolarHBondContact O-N 3.23Å; L466-V469 WeakPolarHBondContact O-CB 3.12Å; L466-V469 PolarHBondContact O-N 3.37Å; L466-V469 VanDerWaalsContact O-N 3.12Å; L466-L470 HydrophobicContact CD1-CD2 4.18Å; L466-L470 HydrophobicContact CD1-CG 4.18Å; L466-L470 WeakPolarHBondContact O-CG 3.44Å; L466-L470 PolarHBondContact O-N 3.03Å
467	I	97.4	Very high	91.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-41.4	179.2	-60.1	-54.6	0	0	0	111.2	I441 L463 T464 V469 L470 I471 L501 L504 C514 L515 V520	I441-I467 HydrophobicContact CD1-CD1 3.95Å; L463-I467 WeakPolarHBondContact O-CG1 3.42Å; L463-I467 PolarHBondContact O-N 3.03Å; L463-I467 VanDerWaalsContact O-N 3.14Å; T464-I467 PolarHBondContact O-N 3.32Å; T464-I467 VanDerWaalsContact O-N 3.16Å; I467-V469 VanDerWaalsContact C-N 3.35Å; I467-V469 PolarHBondContact O-N 3.42Å; I467-L470 PolarHBondContact O-N 3.15Å; I467-I471 HydrophobicContact CG2-CD1 3.92Å; I467-I471 WeakPolarHBondContact O-CG1 3.37Å; I467-I471 PolarHBondContact O-N 3.29Å; I467-L501 HydrophobicContact CG2-CD2 4.26Å; I467-L504 HydrophobicContact CD1-CD1 3.67Å; I467-C514 HydrophobicContact CD1-CB 4.26Å; I467-C514 HydrophobicContact CG1-CB 4.19Å; I467-L515 HydrophobicContact CG2-CD2 4.03Å; I467-V520 HydrophobicContact CB-CG2 4.05Å; I467-V520 HydrophobicContact CG2-CB 4.44Å; I467-V520 HydrophobicContact CG2-CG1 3.8Å; I467-V520 HydrophobicContact CG2-CG2 3.72Å
468	V	95.9	Very high	91.1	Very high	27 Å²	27	37.6 Å²	37.6	16%	0.164	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-43	174.8	170.3	0	0	0	0	111.2	T464 D465 L466 L470 I471 N472 V520 T523	T464-V468 WeakPolarHBondContact O-CG2 3.3Å; T464-V468 PolarHBondContact O-N 3.43Å; D465-V468 PolarHBondContact O-N 3.48Å; L466-V468 VanDerWaalsContact C-N 3.29Å; L466-V468 PolarHBondContact O-N 3.23Å; V468-L470 VanDerWaalsContact C-N 3.33Å; V468-L470 PolarHBondContact O-N 3.1Å; V468-I471 PolarHBondContact O-N 2.93Å; V468-N472 VanDerWaalsContact O-CB 3.31Å; V468-N472 WeakPolarHBondContact O-CB 3.23Å; V468-N472 PolarHBondContact O-N 3.23Å; V468-N472 PolarHBondContact O-ND2 2.92Å; V468-V520 HydrophobicContact CG2-CG2 4.47Å; V468-T523 HydrophobicContact CG1-CG2 4.11Å
469	V	95.6	Very high	90.6	Very high	18 Å²	18	33 Å²	33	11%	0.109	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-41.8	174.9	169.1	0	0	0	0	111.4	L388 D465 L466 I467 N472 I473	L388-V469 HydrophobicContact CD2-CG1 4.29Å; L388-V469 HydrophobicContact CD2-CG2 3.57Å; D465-V469 WeakPolarHBondContact O-CG2 3.48Å; D465-V469 PolarHBondContact O-N 3.29Å; L466-V469 WeakPolarHBondContact O-CB 3.12Å; L466-V469 PolarHBondContact O-N 3.37Å; L466-V469 VanDerWaalsContact O-N 3.12Å; I467-V469 VanDerWaalsContact C-N 3.35Å; I467-V469 PolarHBondContact O-N 3.42Å; V469-N472 WeakPolarHBondContact O-CB 3.46Å; V469-N472 PolarHBondContact O-N 2.92Å; V469-I473 HydrophobicContact CG1-CD1 4.18Å; V469-I473 WeakPolarHBondContact O-CG1 3.33Å; V469-I473 PolarHBondContact O-N 3.06Å
470	L	96.2	Very high	89	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-46.2	176.8	-62.1	-171.9	0	0	0	111.7	L434 L466 I467 V468 N472 I473 M474 V497 V500	L434-L470 HydrophobicContact CD1-CD1 4.13Å; L434-L470 HydrophobicContact CD1-CD2 3.42Å; L434-L470 VanDerWaalsContact CD1-CD2 3.42Å; L434-L470 HydrophobicContact CD1-CG 4.42Å; L466-L470 HydrophobicContact CD1-CD2 4.18Å; L466-L470 HydrophobicContact CD1-CG 4.18Å; L466-L470 WeakPolarHBondContact O-CG 3.44Å; L466-L470 PolarHBondContact O-N 3.03Å; I467-L470 PolarHBondContact O-N 3.15Å; V468-L470 VanDerWaalsContact C-N 3.33Å; V468-L470 PolarHBondContact O-N 3.1Å; L470-N472 VanDerWaalsContact C-N 3.27Å; L470-N472 PolarHBondContact O-N 3.38Å; L470-I473 HydrophobicContact CD2-CD1 4.4Å; L470-I473 WeakPolarHBondContact O-CB 3.39Å; L470-I473 PolarHBondContact O-N 2.68Å; L470-I473 VanDerWaalsContact O-N 3.1Å; L470-M474 PolarHBondContact O-N 3.48Å; L470-V497 HydrophobicContact CB-CG1 3.95Å; L470-V497 HydrophobicContact CB-CG2 4.33Å; L470-V497 HydrophobicContact CD2-CG2 4.45Å; L470-V497 WeakPolarHBondContact O-CG1 3.42Å; L470-V500 HydrophobicContact CD1-CG1 4.03Å
471	I	94.6	Very high	87	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-41.2	175.8	-68.3	161.8	0	0	0	110.8	I467 V468 I473 M474 Y475 L501 V520 T523 L524	I467-I471 HydrophobicContact CG2-CD1 3.92Å; I467-I471 WeakPolarHBondContact O-CG1 3.37Å; I467-I471 PolarHBondContact O-N 3.29Å; V468-I471 PolarHBondContact O-N 2.93Å; I471-I473 VanDerWaalsContact C-N 3.32Å; I471-I473 PolarHBondContact O-N 3.27Å; I471-M474 HydrophobicContact CG2-CE 4.24Å; I471-M474 WeakPolarHBondContact O-CB 3.42Å; I471-M474 PolarHBondContact O-N 3.5Å; I471-M474 VanDerWaalsContact O-N 3.17Å; I471-Y475 HydrophobicContact CG2-CD1 4.22Å; I471-Y475 HydrophobicContact CG2-CD2 4.41Å; I471-Y475 HydrophobicContact CG2-CE1 3.53Å; I471-Y475 HydrophobicContact CG2-CE2 3.75Å; I471-Y475 WeakPolarHBondContact CG2-OH 3.34Å; I471-Y475 VanDerWaalsContact O-CD1 3.29Å; I471-Y475 WeakPolarHBondContact O-CD1 3.43Å; I471-Y475 VanDerWaalsContact O-CG 3.32Å; I471-Y475 PolarHBondContact O-N 3.43Å; I471-L501 HydrophobicContact CG1-CD1 4.31Å; I471-V520 HydrophobicContact CD1-CG1 3.77Å; I471-T523 HydrophobicContact CB-CG2 4.23Å; I471-T523 HydrophobicContact CG2-CG2 3.73Å; I471-L524 HydrophobicContact CD1-CD1 4.5Å; I471-L524 HydrophobicContact CD1-CD2 3.93Å; I471-L524 HydrophobicContact CD1-CG 3.86Å; I471-L524 HydrophobicContact CG1-CD2 4.07Å; I471-L524 HydrophobicContact CG2-CD2 4.05Å
472	N	92.4	Very high	84.5	Confident	39 Å²	39	38.3 Å²	38.3	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-34.5	175.6	-86.8	-33.1	0	0	0	113.6	V468 V469 L470 R476	V468-N472 VanDerWaalsContact O-CB 3.31Å; V468-N472 WeakPolarHBondContact O-CB 3.23Å; V468-N472 PolarHBondContact O-N 3.23Å; V468-N472 PolarHBondContact O-ND2 2.92Å; V469-N472 WeakPolarHBondContact O-CB 3.46Å; V469-N472 PolarHBondContact O-N 2.92Å; L470-N472 VanDerWaalsContact C-N 3.27Å; L470-N472 PolarHBondContact O-N 3.38Å; N472-R476 WeakPolarHBondContact O-CG 3.48Å; N472-R476 PolarHBondContact O-N 3.35Å; N472-R476 PolarHBondContact O-NH1 3.44Å; N472-R476 PolarHBondContact OD1-NH1 3.47Å
473	I	92.2	Very high	81.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-44.8	172.1	-70.5	164.7	0	0	0	110.1	F390 F430 V469 L470 I471 Y475 R476 H477 P493 V497	F390-I473 HydrophobicContact CD1-CD1 4.12Å; F390-I473 HydrophobicContact CD1-CG1 4.1Å; F390-I473 HydrophobicContact CD1-CG2 4.11Å; F390-I473 HydrophobicContact CE1-CG2 3.85Å; F430-I473 HydrophobicContact CE2-CD1 3.94Å; F430-I473 HydrophobicContact CZ-CD1 4.33Å; F430-I473 HydrophobicContact CZ-CG2 4.34Å; V469-I473 HydrophobicContact CG1-CD1 4.18Å; V469-I473 WeakPolarHBondContact O-CG1 3.33Å; V469-I473 PolarHBondContact O-N 3.06Å; L470-I473 HydrophobicContact CD2-CD1 4.4Å; L470-I473 WeakPolarHBondContact O-CB 3.39Å; L470-I473 PolarHBondContact O-N 2.68Å; L470-I473 VanDerWaalsContact O-N 3.1Å; I471-I473 VanDerWaalsContact C-N 3.32Å; I471-I473 PolarHBondContact O-N 3.27Å; I473-Y475 VanDerWaalsContact C-N 3.27Å; I473-Y475 PolarHBondContact O-N 3.14Å; I473-R476 PolarHBondContact O-N 3.03Å; I473-H477 PolarHBondContact O-N 3.29Å; I473-P493 HydrophobicContact CG2-CB 3.89Å; I473-V497 HydrophobicContact CB-CG2 4.24Å; I473-V497 HydrophobicContact CG2-CG2 3.95Å
474	M	91	Very high	78.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-38.8	176.8	179.2	-170.8	74.6	0	0	112	L470 I471 R476 V497 M498 L548 I549	L470-M474 PolarHBondContact O-N 3.48Å; I471-M474 HydrophobicContact CG2-CE 4.24Å; I471-M474 WeakPolarHBondContact O-CB 3.42Å; I471-M474 PolarHBondContact O-N 3.5Å; I471-M474 VanDerWaalsContact O-N 3.17Å; M474-R476 VanDerWaalsContact C-N 3.35Å; M474-R476 PolarHBondContact O-N 3.41Å; M474-V497 HydrophobicContact CB-CB 4.47Å; M474-V497 HydrophobicContact CB-CG1 4.02Å; M474-M498 HydrophobicContact SD-CG 4.32Å; M474-M498 HydrophobicContact SD-SD 3.41Å; M474-L548 HydrophobicContact CE-CB 4.47Å; M474-L548 HydrophobicContact CG-CB 4.31Å; M474-L548 HydrophobicContact CG-CD1 3.78Å; M474-L548 HydrophobicContact SD-CB 3.8Å; M474-L548 HydrophobicContact SD-CD1 4.32Å; M474-I549 HydrophobicContact CE-CG1 3.93Å
475	Y	87.8	Confident	76.2	Confident	17 Å²	17	48.2 Å²	48.2	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-33.9	178.9	-67.4	-7.8	0	0	0	114.4	I471 I473 T523 L524 P527 L539 T545 I549	I471-Y475 HydrophobicContact CG2-CD1 4.22Å; I471-Y475 HydrophobicContact CG2-CD2 4.41Å; I471-Y475 HydrophobicContact CG2-CE1 3.53Å; I471-Y475 HydrophobicContact CG2-CE2 3.75Å; I471-Y475 WeakPolarHBondContact CG2-OH 3.34Å; I471-Y475 VanDerWaalsContact O-CD1 3.29Å; I471-Y475 WeakPolarHBondContact O-CD1 3.43Å; I471-Y475 VanDerWaalsContact O-CG 3.32Å; I471-Y475 PolarHBondContact O-N 3.43Å; I473-Y475 VanDerWaalsContact C-N 3.27Å; I473-Y475 PolarHBondContact O-N 3.14Å; Y475-T523 HydrophobicContact CE2-CG2 4.37Å; Y475-T523 PolarHBondContact OH-O 3.07Å; Y475-L524 WeakPolarHBondContact OH-CA 3.46Å; Y475-L524 PolarHBondContact OH-O 3.21Å; Y475-P527 HydrophobicContact CE2-CG 3.89Å; Y475-L539 HydrophobicContact CG-CD2 4.33Å; Y475-T545 HydrophobicContact CD1-CG2 3.56Å; Y475-T545 HydrophobicContact CE1-CG2 4.19Å; Y475-T545 HydrophobicContact CG-CG2 4.26Å; Y475-I549 HydrophobicContact CD1-CD1 4.33Å; Y475-I549 HydrophobicContact CE1-CD1 3.51Å; Y475-I549 HydrophobicContact CE1-CG1 3.63Å
476	R	83.6	Confident	73.4	Confident	52 Å²	52	46.9 Å²	46.9	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-87.9	-18.6	-171.9	-70.8	175.8	176.1	81.8	-4.9	113.3	E395 N472 I473 M474 P478 K540	E395-R476 VanDerWaalsContact CD-NH2 3.34Å; E395-R476 VanDerWaalsContact CG-CZ 3.45Å; E395-R476 VanDerWaalsContact CG-NE 3.26Å; E395-R476 IonicContact OE1-CZ 3.78Å; E395-R476 IonicContact OE1-NH1 3.81Å; E395-R476 IonicContact OE1-NH2 2.87Å; E395-R476 PolarHBondContact OE1-NH2 3.23Å; N472-R476 WeakPolarHBondContact O-CG 3.48Å; N472-R476 PolarHBondContact O-N 3.35Å; N472-R476 PolarHBondContact O-NH1 3.44Å; N472-R476 PolarHBondContact OD1-NH1 3.47Å; I473-R476 PolarHBondContact O-N 3.03Å; M474-R476 VanDerWaalsContact C-N 3.35Å; M474-R476 PolarHBondContact O-N 3.41Å; R476-P478 VanDerWaalsContact C-CD 3.41Å; R476-K540 WeakPolarHBondContact O-CD 3.46Å; R476-K540 PolarHBondContact O-NZ 3.35Å
477	H	79.8	Confident	70.8	Confident	50 Å²	50	52.3 Å²	52.3	23%	0.231	32%	0.315	C	S	.	.	S	Bend	trans	-131.2	52.5	-176.1	-59	-73.8	0	0	0	112.9	F390 S394 I473 P493 S494	F390-H477 AromaticContact CE1-CD2 3.89Å; F390-H477 AromaticContact CE1-NE2 3.8Å; F390-H477 AromaticContact CZ-NE2 3.8Å; S394-H477 WeakPolarHBondContact CB-NE2 3.28Å; S394-H477 PolarHBondContact OG-NE2 3.22Å; I473-H477 PolarHBondContact O-N 3.29Å; H477-P493 HydrophobicContact CB-CB 3.96Å; H477-P493 HydrophobicContact CB-CG 3.93Å; H477-S494 WeakPolarHBondContact O-CB 3.42Å; H477-S494 PolarHBondContact O-OG 3.06Å
478	P	70.1	Confident	68.1	Low	18 Å²	18	57.1 Å²	57.1	12%	0.117	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65.2	139.8	177.7	28.7	-35	0	0	0	110.9	R476 N541 A544 T545	R476-P478 VanDerWaalsContact C-CD 3.41Å; P478-N541 HydrophobicContact CB-CB 4.33Å; P478-N541 HydrophobicContact CG-CB 3.69Å; P478-A544 HydrophobicContact CB-CB 4.06Å; P478-T545 WeakPolarHBondContact CB-OG1 3.47Å; P478-T545 WeakPolarHBondContact CG-OG1 3.27Å
479	R	68.3	Low	65.8	Low	103 Å²	103	56.5 Å²	56.5	39%	0.389	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.3	138.4	177.7	-166.4	-179.8	-178.9	169.3	0.8	110.7	D484	R479-D484 PolarHBondContact NH2-O 3.01Å
480	P	55.9	Low	64.3	Low	96 Å²	96	58.1 Å²	58.1	62%	0.623	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-62.5	139.8	169.1	24.1	-31.1	0	0	0	110.2	N482	P480-N482 PolarHBondContact O-N 3.23Å
481	S	51.4	Low	63.6	Low	81 Å²	81	60.3 Å²	60.3	57%	0.566	37%	0.367	S	S	*	.	S	Bend	trans	-69.9	-1	-172.6	-57.2	0	0	0	0	114.9
482	N	42.3	Very low	63.3	Low	131 Å²	131	61.5 Å²	61.5	70%	0.701	38%	0.376	S	S	*	.	S	Bend	trans	-94.7	127.8	179.4	-65.7	-8.9	0	0	0	109.8	P480 D484	P480-N482 PolarHBondContact O-N 3.23Å; N482-D484 PolarHBondContact O-N 3.43Å
483	G	42.3	Very low	63.2	Low	72 Å²	72	60.4 Å²	60.4	74%	0.742	37%	0.371	S	S	*	.			trans	-69.5	65.2	-170.5	0	0	0	0	0	115.1	S485	G483-S485 VanDerWaalsContact C-N 3.35Å; G483-S485 PolarHBondContact O-N 3.35Å
484	D	32.1	Very low	63.1	Low	115 Å²	115	60.5 Å²	60.5	62%	0.615	37%	0.372	S	S	*	.			trans	-71.4	98.7	162.3	-82.4	-13.1	0	0	0	108.3	R479 N482 S486	R479-D484 PolarHBondContact NH2-O 3.01Å; N482-D484 PolarHBondContact O-N 3.43Å; D484-S486 PolarHBondContact O-N 2.94Å; D484-S486 VanDerWaalsContact O-N 3.16Å
485	S	38.9	Very low	63	Low	119 Å²	119	61.9 Å²	61.9	83%	0.832	38%	0.381	S	S	*	.			trans	-73.4	27.4	163.7	53.6	0	0	0	0	111.8	G483	G483-S485 VanDerWaalsContact C-N 3.35Å; G483-S485 PolarHBondContact O-N 3.35Å
486	S	37.2	Very low	63.3	Low	43 Å²	43	61.2 Å²	61.2	30%	0.301	38%	0.378	S	S	.	.			trans	-71.9	145.8	172.8	58.9	0	0	0	0	110.1	D484 T488 G489	D484-S486 PolarHBondContact O-N 2.94Å; D484-S486 VanDerWaalsContact O-N 3.16Å; S486-T488 VanDerWaalsContact CB-OG1 3.29Å; S486-T488 WeakPolarHBondContact CB-OG1 3.26Å; S486-T488 PolarHBondContact O-N 3.25Å; S486-T488 PolarHBondContact OG-OG1 2.83Å; S486-G489 PolarHBondContact O-N 3.42Å
487	P	42.5	Very low	63.8	Low	115 Å²	115	58.7 Å²	58.7	75%	0.747	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-59.4	-16.9	174.5	20.8	-30	0	0	0	113.1	G489 S490	P487-G489 VanDerWaalsContact C-N 3.31Å; P487-G489 PolarHBondContact O-N 3.14Å; P487-S490 WeakPolarHBondContact O-CB 3.27Å; P487-S490 PolarHBondContact O-N 3.34Å; P487-S490 PolarHBondContact O-OG 2.89Å
488	T	40.2	Very low	64.5	Low	101 Å²	101	56.6 Å²	56.6	62%	0.62	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-70	-19.2	171.8	32.4	0	0	0	0	114	S486 S490 L491	S486-T488 VanDerWaalsContact CB-OG1 3.29Å; S486-T488 WeakPolarHBondContact CB-OG1 3.26Å; S486-T488 PolarHBondContact O-N 3.25Å; S486-T488 PolarHBondContact OG-OG1 2.83Å; T488-S490 PolarHBondContact O-N 3.17Å; T488-L491 PolarHBondContact O-N 2.44Å
489	G	48.4	Very low	65.5	Low	14 Å²	14	59 Å²	59	14%	0.144	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-63.2	-23	170.9	0	0	0	0	0	113.9	S486 P487 L491 S492 C495	S486-G489 PolarHBondContact O-N 3.42Å; P487-G489 VanDerWaalsContact C-N 3.31Å; P487-G489 PolarHBondContact O-N 3.14Å; G489-L491 VanDerWaalsContact C-N 3.3Å; G489-L491 PolarHBondContact O-N 3.18Å; G489-S492 PolarHBondContact O-OG 3.29Å; G489-C495 PolarHBondContact O-SG 3Å
490	S	62.7	Low	66.8	Low	51 Å²	51	54.4 Å²	54.4	36%	0.357	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.3	-179.9	74.5	0	0	0	0	114.6	K351 P487 T488	K351-S490 PolarHBondContact NZ-O 3.15Å; P487-S490 WeakPolarHBondContact O-CB 3.27Å; P487-S490 PolarHBondContact O-N 3.34Å; P487-S490 PolarHBondContact O-OG 2.89Å; T488-S490 PolarHBondContact O-N 3.17Å
491	L	81.8	Confident	68.7	Low	49 Å²	49	49.8 Å²	49.8	26%	0.257	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-109.9	9.8	-177.6	-67.3	176.3	0	0	0	112.6	I350 K351 Y427 V431 T488 G489	I350-L491 HydrophobicContact CD1-CD1 4.05Å; I350-L491 HydrophobicContact CD1-CD2 4.13Å; I350-L491 HydrophobicContact CG2-CD2 3.98Å; K351-L491 HydrophobicContact CG-CD2 4.43Å; Y427-L491 PolarHBondContact OH-O 2.87Å; V431-L491 HydrophobicContact CG1-CD2 4.24Å; T488-L491 PolarHBondContact O-N 2.44Å; G489-L491 VanDerWaalsContact C-N 3.3Å; G489-L491 PolarHBondContact O-N 3.18Å
492	S	88.3	Confident	70.6	Confident	25 Å²	25	50.1 Å²	50.1	18%	0.175	31%	0.311	C	S	.	.			trans	-68.4	144.8	174.3	67.6	0	0	0	0	111.3	G489 S494 C495 L496	G489-S492 PolarHBondContact O-OG 3.29Å; S492-S494 VanDerWaalsContact C-N 3.32Å; S492-S494 PolarHBondContact O-N 3.42Å; S492-C495 PolarHBondContact O-N 3.01Å; S492-C495 VanDerWaalsContact O-N 3.14Å; S492-C495 VanDerWaalsContact OG-CB 3.24Å; S492-C495 WeakPolarHBondContact OG-CB 3.49Å; S492-C495 PolarHBondContact OG-N 3.17Å; S492-C495 PolarHBondContact OG-SG 3.37Å; S492-L496 WeakPolarHBondContact O-CG 3.49Å; S492-L496 PolarHBondContact O-N 2.89Å
493	P	90.9	Very high	73	Confident	17 Å²	17	47 Å²	47	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-41	-175.3	-21.6	30.3	0	0	0	112.8	F390 Y427 F430 I473 H477 L496 V497	F390-P493 HydrophobicContact CE1-CB 4.05Å; F390-P493 HydrophobicContact CE1-CG 4.19Å; F390-P493 HydrophobicContact CZ-CB 4.29Å; F390-P493 HydrophobicContact CZ-CG 3.92Å; Y427-P493 HydrophobicContact CE2-CG 4.03Å; Y427-P493 VanDerWaalsContact OH-CD 3.27Å; Y427-P493 WeakPolarHBondContact OH-CD 3.49Å; Y427-P493 WeakPolarHBondContact OH-CG 3.14Å; F430-P493 HydrophobicContact CE1-CB 4.48Å; I473-P493 HydrophobicContact CG2-CB 3.89Å; H477-P493 HydrophobicContact CB-CB 3.96Å; H477-P493 HydrophobicContact CB-CG 3.93Å; P493-L496 PolarHBondContact O-N 2.96Å; P493-V497 WeakPolarHBondContact O-CG2 3.39Å; P493-V497 PolarHBondContact O-N 3.46Å
494	S	90.1	Very high	75.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-44	176.9	58.7	0	0	0	0	112	H477 S492 L496 V497 M498	H477-S494 WeakPolarHBondContact O-CB 3.42Å; H477-S494 PolarHBondContact O-OG 3.06Å; S492-S494 VanDerWaalsContact C-N 3.32Å; S492-S494 PolarHBondContact O-N 3.42Å; S494-L496 PolarHBondContact O-N 3.3Å; S494-V497 PolarHBondContact O-N 3.15Å; S494-M498 WeakPolarHBondContact O-CB 3.29Å; S494-M498 WeakPolarHBondContact O-CG 3.47Å; S494-M498 PolarHBondContact O-N 3.17Å
495	C	89.4	Confident	78.2	Confident	28 Å²	28	38.7 Å²	38.7	19%	0.189	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-43.8	178.9	-72.6	0	0	0	0	111.4	G489 S492 V497 M498 E499	G489-C495 PolarHBondContact O-SG 3Å; S492-C495 PolarHBondContact O-N 3.01Å; S492-C495 VanDerWaalsContact O-N 3.14Å; S492-C495 VanDerWaalsContact OG-CB 3.24Å; S492-C495 WeakPolarHBondContact OG-CB 3.49Å; S492-C495 PolarHBondContact OG-N 3.17Å; S492-C495 PolarHBondContact OG-SG 3.37Å; C495-V497 PolarHBondContact O-N 2.74Å; C495-M498 PolarHBondContact O-N 3.43Å; C495-E499 WeakPolarHBondContact O-CG 3.2Å; C495-E499 PolarHBondContact O-N 3.41Å
496	L	93.1	Very high	80.5	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-41.6	179.1	-67.3	165.4	0	0	0	112.1	V431 L434 S492 P493 S494 E499 V500	V431-L496 HydrophobicContact CB-CD1 4.13Å; V431-L496 HydrophobicContact CG1-CD1 3.59Å; V431-L496 HydrophobicContact CG1-CD2 4.04Å; V431-L496 HydrophobicContact CG1-CG 4.47Å; V431-L496 HydrophobicContact CG2-CD1 3.53Å; L434-L496 HydrophobicContact CD2-CB 3.68Å; S492-L496 WeakPolarHBondContact O-CG 3.49Å; S492-L496 PolarHBondContact O-N 2.89Å; P493-L496 PolarHBondContact O-N 2.96Å; S494-L496 PolarHBondContact O-N 3.3Å; L496-E499 PolarHBondContact O-N 3.26Å; L496-V500 PolarHBondContact O-N 3.46Å
497	V	95.2	Very high	82.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-44.8	173.2	166.9	0	0	0	0	110.8	L434 L470 I473 M474 P493 S494 C495 E499 V500 L501	L434-V497 HydrophobicContact CD2-CG2 4.12Å; L470-V497 HydrophobicContact CB-CG1 3.95Å; L470-V497 HydrophobicContact CB-CG2 4.33Å; L470-V497 HydrophobicContact CD2-CG2 4.45Å; L470-V497 WeakPolarHBondContact O-CG1 3.42Å; I473-V497 HydrophobicContact CB-CG2 4.24Å; I473-V497 HydrophobicContact CG2-CG2 3.95Å; M474-V497 HydrophobicContact CB-CB 4.47Å; M474-V497 HydrophobicContact CB-CG1 4.02Å; P493-V497 WeakPolarHBondContact O-CG2 3.39Å; P493-V497 PolarHBondContact O-N 3.46Å; S494-V497 PolarHBondContact O-N 3.15Å; C495-V497 PolarHBondContact O-N 2.74Å; V497-E499 VanDerWaalsContact C-N 3.33Å; V497-E499 PolarHBondContact O-N 3.11Å; V497-V500 PolarHBondContact O-N 3.38Å; V497-V500 VanDerWaalsContact O-N 3.1Å; V497-L501 HydrophobicContact CG1-CD1 3.77Å; V497-L501 HydrophobicContact CG1-CG 4.06Å; V497-L501 WeakPolarHBondContact O-CG 3.32Å; V497-L501 PolarHBondContact O-N 2.91Å
498	M	93.1	Very high	84.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-40.8	178	-72.1	-61.7	-56.3	0	0	111.9	M474 S494 C495 V500 L501 W502 L548 D551 V552	M474-M498 HydrophobicContact SD-CG 4.32Å; M474-M498 HydrophobicContact SD-SD 3.41Å; S494-M498 WeakPolarHBondContact O-CB 3.29Å; S494-M498 WeakPolarHBondContact O-CG 3.47Å; S494-M498 PolarHBondContact O-N 3.17Å; C495-M498 PolarHBondContact O-N 3.43Å; M498-V500 VanDerWaalsContact C-N 3.29Å; M498-V500 PolarHBondContact O-N 3.3Å; M498-L501 PolarHBondContact O-N 3.45Å; M498-W502 HydrophobicContact CB-CZ2 4.45Å; M498-W502 HydrophobicContact CE-CZ2 3.82Å; M498-W502 VanDerWaalsContact O-CB 3.3Å; M498-W502 WeakPolarHBondContact O-CB 3.42Å; M498-W502 PolarHBondContact O-N 2.99Å; M498-L548 HydrophobicContact CE-CD2 4.49Å; M498-L548 HydrophobicContact CG-CD2 4.04Å; M498-L548 HydrophobicContact SD-CB 4.03Å; M498-L548 HydrophobicContact SD-CD2 4.24Å; M498-D551 HydrophobicContact CE-CB 4.32Å; M498-D551 VanDerWaalsContact CE-OD2 3.28Å; M498-D551 WeakPolarHBondContact CE-OD2 3.34Å; M498-V552 HydrophobicContact CE-CG2 3.64Å; M498-V552 HydrophobicContact SD-CG2 3.73Å
499	E	92.4	Very high	87	Confident	69 Å²	69	44.6 Å²	44.6	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-55	-45.5	172.7	-75.1	177.7	-173.3	0	0	110.7	K351 C495 L496 V497 M503	K351-E499 IonicContact NZ-OE1 3.46Å; K351-E499 PolarHBondContact NZ-OE1 3.19Å; K351-E499 VanDerWaalsContact NZ-OE1 3.12Å; K351-E499 IonicContact NZ-OE2 3.68Å; K351-E499 PolarHBondContact NZ-OE2 2.92Å; C495-E499 WeakPolarHBondContact O-CG 3.2Å; C495-E499 PolarHBondContact O-N 3.41Å; L496-E499 PolarHBondContact O-N 3.26Å; V497-E499 VanDerWaalsContact C-N 3.33Å; V497-E499 PolarHBondContact O-N 3.11Å; E499-M503 VanDerWaalsContact O-CG 3.3Å; E499-M503 WeakPolarHBondContact O-CG 3.39Å; E499-M503 PolarHBondContact O-N 3.49Å; E499-M503 VanDerWaalsContact O-N 3.07Å
500	V	95.1	Very high	89	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-48.3	177.6	176.5	0	0	0	0	112	L434 I441 L470 L496 V497 M498 W502 M503 L504	L434-V500 HydrophobicContact CD1-CG2 4.12Å; L434-V500 HydrophobicContact CG-CG2 4.27Å; I441-V500 HydrophobicContact CD1-CG1 4.4Å; L470-V500 HydrophobicContact CD1-CG1 4.03Å; L496-V500 PolarHBondContact O-N 3.46Å; V497-V500 PolarHBondContact O-N 3.38Å; V497-V500 VanDerWaalsContact O-N 3.1Å; M498-V500 VanDerWaalsContact C-N 3.29Å; M498-V500 PolarHBondContact O-N 3.3Å; V500-W502 VanDerWaalsContact C-N 3.32Å; V500-W502 PolarHBondContact O-N 3.33Å; V500-M503 HydrophobicContact CG2-CE 4.23Å; V500-M503 PolarHBondContact O-N 3.16Å; V500-L504 HydrophobicContact CG1-CD1 4.39Å; V500-L504 WeakPolarHBondContact O-CG 3.3Å; V500-L504 PolarHBondContact O-N 3.18Å; V500-L504 VanDerWaalsContact O-N 3.1Å
501	L	95.3	Very high	90.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-38.3	-179.6	-63.4	177.8	0	0	0	111.7	I467 I471 V497 M498 L504 C505 L515 V552	I467-L501 HydrophobicContact CG2-CD2 4.26Å; I471-L501 HydrophobicContact CG1-CD1 4.31Å; V497-L501 HydrophobicContact CG1-CD1 3.77Å; V497-L501 HydrophobicContact CG1-CG 4.06Å; V497-L501 WeakPolarHBondContact O-CG 3.32Å; V497-L501 PolarHBondContact O-N 2.91Å; M498-L501 PolarHBondContact O-N 3.45Å; L501-L504 WeakPolarHBondContact O-CB 3.24Å; L501-L504 PolarHBondContact O-N 3.05Å; L501-C505 PolarHBondContact O-N 3.34Å; L501-C505 PolarHBondContact O-SG 2.97Å; L501-C505 VanDerWaalsContact O-SG 3.36Å; L501-L515 HydrophobicContact CD2-CD2 3.85Å; L501-V552 HydrophobicContact CB-CG2 4.47Å; L501-V552 HydrophobicContact CD1-CG2 3.99Å
502	W	92.3	Very high	90.8	Very high	88 Å²	88	39.7 Å²	39.7	33%	0.333	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-47.8	174.8	-70.8	-12.8	0	0	0	112.2	M498 V500 L504 C505 E506 D551 R555	M498-W502 HydrophobicContact CB-CZ2 4.45Å; M498-W502 HydrophobicContact CE-CZ2 3.82Å; M498-W502 VanDerWaalsContact O-CB 3.3Å; M498-W502 WeakPolarHBondContact O-CB 3.42Å; M498-W502 PolarHBondContact O-N 2.99Å; V500-W502 VanDerWaalsContact C-N 3.32Å; V500-W502 PolarHBondContact O-N 3.33Å; W502-L504 PolarHBondContact O-N 3.49Å; W502-C505 WeakPolarHBondContact O-CB 3.46Å; W502-C505 PolarHBondContact O-N 3.2Å; W502-E506 WeakPolarHBondContact O-CG 3.28Å; W502-E506 PolarHBondContact O-N 2.88Å; W502-D551 WeakPolarHBondContact CZ2-OD2 3.4Å; W502-D551 PolarHBondContact NE1-OD2 2.88Å; W502-R555 VanDerWaalsContact CD1-CZ 3.48Å; W502-R555 VanDerWaalsContact CD1-NE 3.3Å; W502-R555 VanDerWaalsContact CE2-NH2 3.35Å
503	M	91.8	Very high	90.9	Very high	64 Å²	64	41.8 Å²	41.8	32%	0.315	21%	0.205	S	C	.	.	H	α-helix	trans	-57.7	-33	176.1	-74.6	-172.7	-67	0	0	112.3	I442 E499 V500	I442-M503 HydrophobicContact CD1-CB 3.77Å; I442-M503 HydrophobicContact CD1-CE 4.2Å; I442-M503 HydrophobicContact CD1-CG 4.34Å; I442-M503 HydrophobicContact CD1-SD 3.78Å; I442-M503 HydrophobicContact CG1-CB 4.43Å; E499-M503 VanDerWaalsContact O-CG 3.3Å; E499-M503 WeakPolarHBondContact O-CG 3.39Å; E499-M503 PolarHBondContact O-N 3.49Å; E499-M503 VanDerWaalsContact O-N 3.07Å; V500-M503 HydrophobicContact CG2-CE 4.23Å; V500-M503 PolarHBondContact O-N 3.16Å
504	L	93.6	Very high	91	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.9	-42.1	174.5	-69.8	175.5	0	0	0	112.4	I441 I442 I467 V500 L501 W502 E506 R507 C510 A511 C514 L515	I441-L504 HydrophobicContact CD1-CD1 3.81Å; I441-L504 HydrophobicContact CD1-CD2 4.12Å; I441-L504 HydrophobicContact CD1-CG 4.42Å; I441-L504 HydrophobicContact CG1-CD2 4.01Å; I442-L504 HydrophobicContact CG1-CD2 4.29Å; I467-L504 HydrophobicContact CD1-CD1 3.67Å; V500-L504 HydrophobicContact CG1-CD1 4.39Å; V500-L504 WeakPolarHBondContact O-CG 3.3Å; V500-L504 PolarHBondContact O-N 3.18Å; V500-L504 VanDerWaalsContact O-N 3.1Å; L501-L504 WeakPolarHBondContact O-CB 3.24Å; L501-L504 PolarHBondContact O-N 3.05Å; W502-L504 PolarHBondContact O-N 3.49Å; L504-E506 VanDerWaalsContact C-N 3.3Å; L504-E506 PolarHBondContact O-N 3.29Å; L504-R507 PolarHBondContact O-N 2.95Å; L504-C510 HydrophobicContact CD2-CB 4.2Å; L504-A511 PolarHBondContact O-N 2.91Å; L504-C514 HydrophobicContact CD1-CB 4.08Å; L504-C514 HydrophobicContact CD2-CB 4.43Å; L504-L515 HydrophobicContact CB-CD1 3.77Å; L504-L515 HydrophobicContact CB-CG 4.2Å; L504-L515 HydrophobicContact CD1-CD2 4.47Å
505	C	90.6	Very high	91.2	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-34.9	176.8	-72.6	0	0	0	0	113.1	L501 W502 R507 L515 R555	L501-C505 PolarHBondContact O-N 3.34Å; L501-C505 PolarHBondContact O-SG 2.97Å; L501-C505 VanDerWaalsContact O-SG 3.36Å; W502-C505 WeakPolarHBondContact O-CB 3.46Å; W502-C505 PolarHBondContact O-N 3.2Å; C505-R507 PolarHBondContact O-N 3.48Å; C505-L515 HydrophobicContact CB-CD1 4.31Å; C505-L515 WeakPolarHBondContact SG-CD1 3.42Å; C505-R555 HydrophobicContact CB-CB 3.85Å; C505-R555 HydrophobicContact CB-CG 4.46Å
506	E	87.4	Confident	91.3	Very high	155 Å²	155	39.9 Å²	39.9	72%	0.724	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-16	-177.4	-73.8	177.4	175.2	0	0	113.8	W502 L504	W502-E506 WeakPolarHBondContact O-CG 3.28Å; W502-E506 PolarHBondContact O-N 2.88Å; L504-E506 VanDerWaalsContact C-N 3.3Å; L504-E506 PolarHBondContact O-N 3.29Å
507	R	86.4	Confident	91.2	Very high	111 Å²	111	42.4 Å²	42.4	42%	0.419	20%	0.203	S	C	.	.	S	Bend	trans	-118.6	111.9	179.8	-65.3	-174.1	-179.8	-160.9	-4.8	110.8	L504 C505 E509 C510 A511	L504-R507 PolarHBondContact O-N 2.95Å; C505-R507 PolarHBondContact O-N 3.48Å; R507-E509 PolarHBondContact O-N 2.94Å; R507-C510 HydrophobicContact CB-CB 3.88Å; R507-C510 VanDerWaalsContact CB-SG 3.6Å; R507-C510 WeakPolarHBondContact O-CB 3.45Å; R507-C510 PolarHBondContact O-N 3.24Å; R507-A511 PolarHBondContact O-N 3.41Å
508	T	84.3	Confident	91	Very high	107 Å²	107	44.3 Å²	44.3	66%	0.656	22%	0.215	S	C	*	.	H	α-helix	trans	-52.5	-46.2	-174.4	52.1	0	0	0	0	114.1	C510 A512	T508-C510 VanDerWaalsContact C-N 3.34Å; T508-C510 PolarHBondContact O-N 3.25Å; T508-A512 WeakPolarHBondContact O-CB 3Å; T508-A512 PolarHBondContact O-N 3.38Å
509	E	84.9	Confident	90.9	Very high	129 Å²	129	46.8 Å²	46.8	60%	0.603	23%	0.232	S	C	*	.	H	α-helix	trans	-66.2	-34.1	177.1	-64.6	-174.7	175.8	0	0	113.1	R507 A512 D513	R507-E509 PolarHBondContact O-N 2.94Å; E509-A512 WeakPolarHBondContact O-CB 3.42Å; E509-D513 PolarHBondContact O-N 3.01Å
510	C	89.3	Confident	91	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-75.7	-43.6	-179.5	-54.8	0	0	0	0	110.4	I442 R447 L504 R507 T508 A512 D513 C514	I442-C510 PolarHBondContact O-SG 3.07Å; R447-C510 PolarHBondContact NH1-SG 3.13Å; L504-C510 HydrophobicContact CD2-CB 4.2Å; R507-C510 HydrophobicContact CB-CB 3.88Å; R507-C510 VanDerWaalsContact CB-SG 3.6Å; R507-C510 WeakPolarHBondContact O-CB 3.45Å; R507-C510 PolarHBondContact O-N 3.24Å; T508-C510 VanDerWaalsContact C-N 3.34Å; T508-C510 PolarHBondContact O-N 3.25Å; C510-A512 VanDerWaalsContact C-N 3.25Å; C510-A512 PolarHBondContact O-N 3.23Å; C510-D513 PolarHBondContact O-N 3.28Å; C510-C514 VanDerWaalsContact O-CB 3.25Å; C510-C514 WeakPolarHBondContact O-CB 3.42Å; C510-C514 PolarHBondContact O-N 3.35Å; C510-C514 PolarHBondContact O-SG 3.35Å; C510-C514 VanDerWaalsContact O-SG 3.37Å
511	A	92	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-41.6	173.4	0	0	0	0	0	110.8	L504 R507 C514 L515 H516	L504-A511 PolarHBondContact O-N 2.91Å; R507-A511 PolarHBondContact O-N 3.41Å; A511-C514 PolarHBondContact O-N 2.86Å; A511-L515 HydrophobicContact CB-CD1 4.44Å; A511-L515 CarbonylContact O-C 3.08Å; A511-L515 WeakPolarHBondContact O-CA 3.44Å; A511-L515 PolarHBondContact O-N 2.89Å; A511-H516 WeakPolarHBondContact O-CB 3.5Å; A511-H516 VanDerWaalsContact O-CG 3.28Å; A511-H516 PolarHBondContact O-N 2.63Å
512	A	90.8	Very high	90.8	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-51.3	174.3	0	0	0	0	0	113.9	T508 E509 C510 Q517 R561	T508-A512 WeakPolarHBondContact O-CB 3Å; T508-A512 PolarHBondContact O-N 3.38Å; E509-A512 WeakPolarHBondContact O-CB 3.42Å; C510-A512 VanDerWaalsContact C-N 3.25Å; C510-A512 PolarHBondContact O-N 3.23Å; A512-Q517 PolarHBondContact O-NE2 3.08Å; A512-R561 VanDerWaalsContact CB-NH1 3.28Å
513	D	90.6	Very high	90.9	Very high	69 Å²	69	44.5 Å²	44.5	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-78.5	-26.9	-176	-65.1	-20.6	0	0	0	112.9	R447 E509 C510	R447-D513 IonicContact CZ-OD2 3.54Å; R447-D513 VanDerWaalsContact CZ-OD2 3.29Å; R447-D513 IonicContact NE-OD2 2.69Å; R447-D513 PolarHBondContact NE-OD2 3.44Å; R447-D513 IonicContact NH2-OD2 3.82Å; R447-D513 PolarHBondContact NH2-OD2 3.36Å; E509-D513 PolarHBondContact O-N 3.01Å; C510-D513 PolarHBondContact O-N 3.28Å
514	C	94.2	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-102.3	-61.7	-174.9	-61	0	0	0	0	113	I467 L504 C510 A511 Q517	I467-C514 HydrophobicContact CD1-CB 4.26Å; I467-C514 HydrophobicContact CG1-CB 4.19Å; L504-C514 HydrophobicContact CD1-CB 4.08Å; L504-C514 HydrophobicContact CD2-CB 4.43Å; C510-C514 VanDerWaalsContact O-CB 3.25Å; C510-C514 WeakPolarHBondContact O-CB 3.42Å; C510-C514 PolarHBondContact O-N 3.35Å; C510-C514 PolarHBondContact O-SG 3.35Å; C510-C514 VanDerWaalsContact O-SG 3.37Å; A511-C514 PolarHBondContact O-N 2.86Å; C514-Q517 WeakPolarHBondContact O-CG 3.47Å
515	L	93.5	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-30.9	-165.1	-63.4	173.2	0	0	0	113	I467 L501 L504 C505 A511 Q517 V520 I556	I467-L515 HydrophobicContact CG2-CD2 4.03Å; L501-L515 HydrophobicContact CD2-CD2 3.85Å; L504-L515 HydrophobicContact CB-CD1 3.77Å; L504-L515 HydrophobicContact CB-CG 4.2Å; L504-L515 HydrophobicContact CD1-CD2 4.47Å; C505-L515 HydrophobicContact CB-CD1 4.31Å; C505-L515 WeakPolarHBondContact SG-CD1 3.42Å; A511-L515 HydrophobicContact CB-CD1 4.44Å; A511-L515 CarbonylContact O-C 3.08Å; A511-L515 WeakPolarHBondContact O-CA 3.44Å; A511-L515 PolarHBondContact O-N 2.89Å; L515-Q517 PolarHBondContact O-N 2.79Å; L515-V520 HydrophobicContact CD2-CG1 4.47Å; L515-I556 HydrophobicContact CB-CD1 4.21Å; L515-I556 HydrophobicContact CB-CG1 4.39Å
516	H	91.7	Very high	91.1	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	23%	0.228	C	C	.	.	S	Bend	trans	-82.5	37	-178.5	-62.8	172.3	0	0	0	111.8	A511 T559 L565	A511-H516 WeakPolarHBondContact O-CB 3.5Å; A511-H516 VanDerWaalsContact O-CG 3.28Å; A511-H516 PolarHBondContact O-N 2.63Å; H516-T559 PolarHBondContact CE1-OG1 3.44Å; H516-T559 VanDerWaalsContact CE1-OG1 3.23Å; H516-T559 PolarHBondContact NE2-OG1 2.98Å; H516-L565 HydrophobicContact CB-CD1 3.55Å
517	Q	91	Very high	91.3	Very high	56 Å²	56	36.5 Å²	36.5	26%	0.262	20%	0.197	S	C	.	.	S	Bend	trans	-109.4	134	-179.4	-59.7	-60.2	-41.5	0	0	108.2	T464 A512 C514 L515 P519 V520 I521	T464-Q517 HydrophobicContact CG2-CB 4.2Å; A512-Q517 PolarHBondContact O-NE2 3.08Å; C514-Q517 WeakPolarHBondContact O-CG 3.47Å; L515-Q517 PolarHBondContact O-N 2.79Å; Q517-P519 VanDerWaalsContact C-CD 3.49Å; Q517-V520 HydrophobicContact CB-CB 4.47Å; Q517-V520 HydrophobicContact CB-CG2 4.09Å; Q517-V520 WeakPolarHBondContact O-CB 3.49Å; Q517-V520 PolarHBondContact O-N 3.03Å; Q517-I521 PolarHBondContact O-N 3.2Å
518	T	89.8	Confident	91.6	Very high	40 Å²	40	31.2 Å²	31.2	25%	0.245	18%	0.177	C	C	.	.	H	α-helix	trans	-51.2	-46.4	-176.9	-49.4	0	0	0	0	113.4	V520 I521 E522 E569 N571	T518-V520 PolarHBondContact O-N 2.84Å; T518-I521 PolarHBondContact O-N 3.34Å; T518-E522 HydrophobicContact CG2-CG 4.33Å; T518-E522 WeakPolarHBondContact CG2-OE1 3.22Å; T518-E522 WeakPolarHBondContact O-CG 3.43Å; T518-E522 PolarHBondContact O-N 2.74Å; T518-E569 PolarHBondContact OG1-OE2 2.86Å; T518-N571 HydrophobicContact CG2-CB 3.31Å; T518-N571 VanDerWaalsContact CG2-ND2 3.34Å; T518-N571 WeakPolarHBondContact CG2-ND2 3.43Å; T518-N571 PolarHBondContact OG1-ND2 3.44Å
519	P	92.4	Very high	91.9	Very high	57 Å²	57	27 Å²	27	37%	0.37	15%	0.151	S	C	.	.	H	α-helix	trans	-63.2	-27.1	179.2	-23.1	35.9	0	0	0	113.8	T464 Q517 T523	T464-P519 HydrophobicContact CG2-CB 3.86Å; T464-P519 HydrophobicContact CG2-CG 3.99Å; Q517-P519 VanDerWaalsContact C-CD 3.49Å; P519-T523 WeakPolarHBondContact O-CB 3.46Å; P519-T523 PolarHBondContact O-N 3.4Å; P519-T523 PolarHBondContact O-OG1 3.38Å
520	V	94.7	Very high	92.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.1	-45.1	177.2	174.5	0	0	0	0	110.4	T464 I467 V468 I471 L515 Q517 T518 T523 L524	T464-V520 HydrophobicContact CG2-CG2 4.02Å; I467-V520 HydrophobicContact CB-CG2 4.05Å; I467-V520 HydrophobicContact CG2-CB 4.44Å; I467-V520 HydrophobicContact CG2-CG1 3.8Å; I467-V520 HydrophobicContact CG2-CG2 3.72Å; V468-V520 HydrophobicContact CG2-CG2 4.47Å; I471-V520 HydrophobicContact CD1-CG1 3.77Å; L515-V520 HydrophobicContact CD2-CG1 4.47Å; Q517-V520 HydrophobicContact CB-CB 4.47Å; Q517-V520 HydrophobicContact CB-CG2 4.09Å; Q517-V520 WeakPolarHBondContact O-CB 3.49Å; Q517-V520 PolarHBondContact O-N 3.03Å; T518-V520 PolarHBondContact O-N 2.84Å; V520-T523 PolarHBondContact O-N 2.95Å; V520-L524 HydrophobicContact CG1-CD1 4.17Å; V520-L524 WeakPolarHBondContact O-CB 3.38Å; V520-L524 WeakPolarHBondContact O-CG 3.33Å; V520-L524 PolarHBondContact O-N 3.01Å
521	I	93.6	Very high	92	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-42.6	176	-59	-58.5	0	0	0	110.9	Q517 T518 L524 L525 I556 L565 F566 L572 A582	Q517-I521 PolarHBondContact O-N 3.2Å; T518-I521 PolarHBondContact O-N 3.34Å; I521-L524 PolarHBondContact O-N 3.33Å; I521-L525 HydrophobicContact CG2-CD1 3.81Å; I521-L525 WeakPolarHBondContact O-CB 3.27Å; I521-L525 PolarHBondContact O-N 3.31Å; I521-I556 HydrophobicContact CD1-CD1 3.97Å; I521-I556 HydrophobicContact CD1-CG2 4.22Å; I521-L565 HydrophobicContact CG1-CD1 4.35Å; I521-F566 HydrophobicContact CD1-CE2 4.23Å; I521-L572 HydrophobicContact CG2-CD1 4.44Å; I521-A582 HydrophobicContact CG2-CB 4.09Å
522	E	92.3	Very high	91.8	Very high	78 Å²	78	22.1 Å²	22.1	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-57.9	-47.5	173.7	-73.1	173.6	173.4	0	0	111.8	T518 L525 A526 L572	T518-E522 HydrophobicContact CG2-CG 4.33Å; T518-E522 WeakPolarHBondContact CG2-OE1 3.22Å; T518-E522 WeakPolarHBondContact O-CG 3.43Å; T518-E522 PolarHBondContact O-N 2.74Å; E522-L525 PolarHBondContact O-N 2.99Å; E522-A526 WeakPolarHBondContact O-CB 3.23Å; E522-A526 PolarHBondContact O-N 3.3Å; E522-L572 HydrophobicContact CB-CD2 4.16Å; E522-L572 HydrophobicContact CG-CD2 3.65Å
523	T	94.1	Very high	91.6	Very high	26 Å²	26	24 Å²	24	16%	0.16	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-49.6	177.6	-57.5	0	0	0	0	110.5	V468 I471 Y475 P519 V520 L525 A526	V468-T523 HydrophobicContact CG1-CG2 4.11Å; I471-T523 HydrophobicContact CB-CG2 4.23Å; I471-T523 HydrophobicContact CG2-CG2 3.73Å; Y475-T523 HydrophobicContact CE2-CG2 4.37Å; Y475-T523 PolarHBondContact OH-O 3.07Å; P519-T523 WeakPolarHBondContact O-CB 3.46Å; P519-T523 PolarHBondContact O-N 3.4Å; P519-T523 PolarHBondContact O-OG1 3.38Å; V520-T523 PolarHBondContact O-N 2.95Å; T523-L525 VanDerWaalsContact C-N 3.28Å; T523-L525 PolarHBondContact O-N 2.97Å; T523-A526 PolarHBondContact O-N 3.31Å
524	L	95	Very high	91.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.6	-40	179.5	-76.9	170.6	0	0	0	112.9	I471 Y475 V520 I521 I549 V552 L553 I556	I471-L524 HydrophobicContact CD1-CD1 4.5Å; I471-L524 HydrophobicContact CD1-CD2 3.93Å; I471-L524 HydrophobicContact CD1-CG 3.86Å; I471-L524 HydrophobicContact CG1-CD2 4.07Å; I471-L524 HydrophobicContact CG2-CD2 4.05Å; Y475-L524 WeakPolarHBondContact OH-CA 3.46Å; Y475-L524 PolarHBondContact OH-O 3.21Å; V520-L524 HydrophobicContact CG1-CD1 4.17Å; V520-L524 WeakPolarHBondContact O-CB 3.38Å; V520-L524 WeakPolarHBondContact O-CG 3.33Å; V520-L524 PolarHBondContact O-N 3.01Å; I521-L524 PolarHBondContact O-N 3.33Å; L524-I549 VanDerWaalsContact O-CG2 3.3Å; L524-I549 WeakPolarHBondContact O-CG2 3.33Å; L524-V552 HydrophobicContact CD1-CG1 3.89Å; L524-V552 HydrophobicContact CD2-CB 4.43Å; L524-V552 HydrophobicContact CD2-CG1 4.24Å; L524-L553 HydrophobicContact CB-CD2 3.99Å; L524-L553 HydrophobicContact CD1-CD2 4.02Å; L524-I556 HydrophobicContact CD1-CD1 3.87Å
525	L	93.8	Very high	90.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-90.6	-12	-176.5	-70.5	171.2	0	0	0	114.1	I521 E522 T523 V528 V529 L553 L572 A582 I585 V586	I521-L525 HydrophobicContact CG2-CD1 3.81Å; I521-L525 WeakPolarHBondContact O-CB 3.27Å; I521-L525 PolarHBondContact O-N 3.31Å; E522-L525 PolarHBondContact O-N 2.99Å; T523-L525 VanDerWaalsContact C-N 3.28Å; T523-L525 PolarHBondContact O-N 2.97Å; L525-V528 HydrophobicContact CD2-CB 4.4Å; L525-V528 HydrophobicContact CD2-CG2 4.31Å; L525-V528 WeakPolarHBondContact O-CA 3.45Å; L525-V528 WeakPolarHBondContact O-CB 3.22Å; L525-V528 PolarHBondContact O-N 3.07Å; L525-V529 WeakPolarHBondContact O-CG2 3.38Å; L525-V529 PolarHBondContact O-N 3.42Å; L525-L553 HydrophobicContact CD2-CD1 3.66Å; L525-L553 HydrophobicContact CD2-CD2 4.32Å; L525-L553 HydrophobicContact CG-CD1 4.5Å; L525-L553 HydrophobicContact CG-CD2 4.35Å; L525-L572 HydrophobicContact CB-CD2 4.37Å; L525-L572 HydrophobicContact CD1-CD1 3.5Å; L525-L572 HydrophobicContact CD1-CD2 4.29Å; L525-A582 HydrophobicContact CD1-CB 3.6Å; L525-I585 HydrophobicContact CD2-CG2 4.41Å; L525-V586 HydrophobicContact CD2-CG2 3.91Å
526	A	92	Very high	89.4	Confident	53 Å²	53	39.7 Å²	39.7	44%	0.438	23%	0.227	S	C	.	.	H	α-helix	trans	-52.9	-44.9	-178.1	0	0	0	0	0	113.3	E522 T523 V528 V529 A530	E522-A526 WeakPolarHBondContact O-CB 3.23Å; E522-A526 PolarHBondContact O-N 3.3Å; T523-A526 PolarHBondContact O-N 3.31Å; A526-V528 VanDerWaalsContact C-N 3.33Å; A526-V528 PolarHBondContact O-N 2.97Å; A526-V529 PolarHBondContact O-N 3.47Å; A526-A530 WeakPolarHBondContact O-CB 3.41Å; A526-A530 PolarHBondContact O-N 3.37Å
527	P	91.3	Very high	88.6	Confident	12 Å²	12	40.9 Å²	40.9	8%	0.078	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-33.8	175.9	-20.9	34	0	0	0	113.6	Y475 L531 L539 L546 I549	Y475-P527 HydrophobicContact CE2-CG 3.89Å; P527-L531 WeakPolarHBondContact O-CD1 3.43Å; P527-L531 VanDerWaalsContact O-CG 3.3Å; P527-L531 WeakPolarHBondContact O-CG 3.47Å; P527-L531 PolarHBondContact O-N 2.75Å; P527-L531 VanDerWaalsContact O-N 3.11Å; P527-L539 HydrophobicContact CB-CD1 3.94Å; P527-L546 HydrophobicContact CB-CD2 4.48Å; P527-I549 HydrophobicContact CB-CD1 4.36Å; P527-I549 HydrophobicContact CG-CD1 4.01Å
528	V	91.9	Very high	87.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-44.4	178.2	-177.8	0	0	0	0	110.2	L525 A526 L531 L532 L546 I585 F589 F614	L525-V528 HydrophobicContact CD2-CB 4.4Å; L525-V528 HydrophobicContact CD2-CG2 4.31Å; L525-V528 WeakPolarHBondContact O-CA 3.45Å; L525-V528 WeakPolarHBondContact O-CB 3.22Å; L525-V528 PolarHBondContact O-N 3.07Å; A526-V528 VanDerWaalsContact C-N 3.33Å; A526-V528 PolarHBondContact O-N 2.97Å; V528-L531 PolarHBondContact O-N 2.95Å; V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 3.4Å; V528-L546 HydrophobicContact CG2-CD2 3.88Å; V528-I585 HydrophobicContact CG1-CG2 3.94Å; V528-F589 HydrophobicContact CG1-CB 3.66Å; V528-F589 HydrophobicContact CG1-CD1 3.84Å; V528-F589 HydrophobicContact CG1-CD2 3.75Å; V528-F589 HydrophobicContact CG1-CE1 4.38Å; V528-F589 HydrophobicContact CG1-CE2 4.32Å; V528-F589 HydrophobicContact CG1-CG 3.48Å; V528-F589 VanDerWaalsContact CG1-CG 3.48Å; V528-F614 HydrophobicContact CG1-CE1 4.5Å; V528-F614 HydrophobicContact CG2-CE1 4.12Å; V528-F614 HydrophobicContact CG2-CZ 3.84Å
529	V	90.8	Very high	87	Confident	18 Å²	18	45.5 Å²	45.5	11%	0.109	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-44.6	176.4	174.6	0	0	0	0	111	L525 A526 L531 L532 N533 I585	L525-V529 WeakPolarHBondContact O-CG2 3.38Å; L525-V529 PolarHBondContact O-N 3.42Å; A526-V529 PolarHBondContact O-N 3.47Å; V529-L531 VanDerWaalsContact C-N 3.32Å; V529-L531 PolarHBondContact O-N 3.34Å; V529-L532 PolarHBondContact O-N 3.27Å; V529-N533 WeakPolarHBondContact CG1-ND2 3.37Å; V529-N533 WeakPolarHBondContact O-CB 3.44Å; V529-N533 VanDerWaalsContact O-CG 3.32Å; V529-N533 PolarHBondContact O-N 3.31Å; V529-N533 PolarHBondContact O-ND2 2.97Å; V529-I585 HydrophobicContact CG2-CD1 3.63Å; V529-I585 HydrophobicContact CG2-CG1 4.46Å; V529-I585 HydrophobicContact CG2-CG2 3.85Å
530	A	89	Confident	86.1	Confident	15 Å²	15	49.1 Å²	49.1	12%	0.124	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-45.8	176.2	0	0	0	0	0	111.6	A526 N533 A534 Q535 T537	A526-A530 WeakPolarHBondContact O-CB 3.41Å; A526-A530 PolarHBondContact O-N 3.37Å; A530-N533 CarbonylContact O-C 3.37Å; A530-N533 PolarHBondContact O-N 3.01Å; A530-A534 PolarHBondContact O-N 2.91Å; A530-Q535 HydrophobicContact CB-CB 4.21Å; A530-Q535 WeakPolarHBondContact O-CB 3.22Å; A530-Q535 PolarHBondContact O-N 3.17Å; A530-T537 HydrophobicContact CB-CG2 3.9Å
531	L	88.6	Confident	85.4	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-37.8	177.6	-70.5	165.3	0	0	0	113.1	P527 V528 V529 N533 A534 T537 L546 F589 L601	P527-L531 WeakPolarHBondContact O-CD1 3.43Å; P527-L531 VanDerWaalsContact O-CG 3.3Å; P527-L531 WeakPolarHBondContact O-CG 3.47Å; P527-L531 PolarHBondContact O-N 2.75Å; P527-L531 VanDerWaalsContact O-N 3.11Å; V528-L531 PolarHBondContact O-N 2.95Å; V529-L531 VanDerWaalsContact C-N 3.32Å; V529-L531 PolarHBondContact O-N 3.34Å; L531-N533 VanDerWaalsContact C-N 3.25Å; L531-N533 PolarHBondContact O-N 3.37Å; L531-A534 PolarHBondContact O-N 3.37Å; L531-A534 VanDerWaalsContact O-N 3.15Å; L531-T537 HydrophobicContact CD1-CG2 4.43Å; L531-T537 HydrophobicContact CD2-CG2 3.93Å; L531-T537 HydrophobicContact CG-CG2 3.77Å; L531-L546 HydrophobicContact CD1-CD1 3.63Å; L531-L546 HydrophobicContact CD1-CD2 4.18Å; L531-L546 HydrophobicContact CD1-CG 4.45Å; L531-F589 HydrophobicContact CB-CE2 4.01Å; L531-F589 HydrophobicContact CD1-CE2 4.2Å; L531-F589 HydrophobicContact CD1-CZ 4.23Å; L531-L601 HydrophobicContact CD1-CD1 4.2Å
532	L	87.7	Confident	84.9	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-33.3	173.1	-77.4	177.2	0	0	0	112.4	V528 V529 A534 I585 Q588 F589 R592	V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 3.4Å; V529-L532 PolarHBondContact O-N 3.27Å; L532-A534 VanDerWaalsContact C-N 3.26Å; L532-A534 PolarHBondContact O-N 3.23Å; L532-I585 HydrophobicContact CD1-CG2 3.86Å; L532-Q588 HydrophobicContact CD1-CB 4.43Å; L532-F589 HydrophobicContact CD1-CB 4.26Å; L532-F589 HydrophobicContact CD2-CB 4.15Å; L532-F589 HydrophobicContact CD2-CD2 4Å; L532-F589 HydrophobicContact CG-CB 4.31Å; L532-F589 HydrophobicContact CG-CD2 4.02Å; L532-R592 HydrophobicContact CD2-CG 4.33Å; L532-R592 VanDerWaalsContact O-CZ 3.31Å; L532-R592 PolarHBondContact O-NH1 2.97Å; L532-R592 PolarHBondContact O-NH2 2.97Å; L532-R592 VanDerWaalsContact O-NH2 3.15Å
533	N	85.2	Confident	84.6	Confident	45 Å²	45	49.5 Å²	49.5	24%	0.241	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.6	176.9	-64.1	-26.8	0	0	0	113.2	V529 A530 L531 Q535 A575	V529-N533 WeakPolarHBondContact CG1-ND2 3.37Å; V529-N533 WeakPolarHBondContact O-CB 3.44Å; V529-N533 VanDerWaalsContact O-CG 3.32Å; V529-N533 PolarHBondContact O-N 3.31Å; V529-N533 PolarHBondContact O-ND2 2.97Å; A530-N533 CarbonylContact O-C 3.37Å; A530-N533 PolarHBondContact O-N 3.01Å; L531-N533 VanDerWaalsContact C-N 3.25Å; L531-N533 PolarHBondContact O-N 3.37Å; N533-Q535 HydrophobicContact CB-CG 4.02Å; N533-Q535 PolarHBondContact O-N 3.44Å; N533-A575 WeakPolarHBondContact OD1-CB 3.31Å
534	A	80.7	Confident	84.2	Confident	94 Å²	94	48.9 Å²	48.9	78%	0.777	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	30	-176	0	0	0	0	0	114	A530 L531 L532	A530-A534 PolarHBondContact O-N 2.91Å; L531-A534 PolarHBondContact O-N 3.37Å; L531-A534 VanDerWaalsContact O-N 3.15Å; L532-A534 VanDerWaalsContact C-N 3.26Å; L532-A534 PolarHBondContact O-N 3.23Å
535	Q	81	Confident	83.9	Confident	113 Å²	113	48.9 Å²	48.9	53%	0.528	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-85	151.5	174.9	-64	175.4	-20.7	0	0	110.8	A530 N533	A530-Q535 HydrophobicContact CB-CB 4.21Å; A530-Q535 WeakPolarHBondContact O-CB 3.22Å; A530-Q535 PolarHBondContact O-N 3.17Å; N533-Q535 HydrophobicContact CB-CG 4.02Å; N533-Q535 PolarHBondContact O-N 3.44Å
536	Q	70.9	Confident	83.8	Confident	190 Å²	190	48.9 Å²	48.9	89%	0.888	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-69.1	132.8	172.5	-77.1	-177.4	5.2	0	0	110.6
537	T	74.3	Confident	83.7	Confident	34 Å²	34	48.6 Å²	48.6	21%	0.209	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-101.3	129.8	173.2	57.6	0	0	0	0	110.1	A530 L531 L539	A530-T537 HydrophobicContact CB-CG2 3.9Å; L531-T537 HydrophobicContact CD1-CG2 4.43Å; L531-T537 HydrophobicContact CD2-CG2 3.93Å; L531-T537 HydrophobicContact CG-CG2 3.77Å; T537-L539 PolarHBondContact O-N 3.35Å
538	N	70	Confident	83.8	Confident	166 Å²	166	49.6 Å²	49.6	89%	0.888	27%	0.271	S	S	*	.			trans	-74.7	35.7	174.7	-67.8	-25.4	0	0	0	113.2
539	L	77.7	Confident	83.9	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.141	27%	0.271	C	S	.	.			trans	-94.2	127.4	-177.9	-65.8	-178.3	0	0	0	110.6	Y475 P527 T537 P542 T545	Y475-L539 HydrophobicContact CG-CD2 4.33Å; P527-L539 HydrophobicContact CB-CD1 3.94Å; T537-L539 PolarHBondContact O-N 3.35Å; L539-P542 HydrophobicContact CB-CB 4.41Å; L539-P542 HydrophobicContact CB-CG 4.09Å; L539-P542 HydrophobicContact CD1-CB 4.45Å; L539-T545 HydrophobicContact CD1-CG2 4.21Å; L539-T545 HydrophobicContact CD2-CG2 4.11Å
540	K	72.9	Confident	84.1	Confident	132 Å²	132	48.8 Å²	48.8	57%	0.574	27%	0.266	S	S	*	.	S	Bend	trans	-62.8	-45.1	177.9	-66	-174.5	-176.1	171.1	0	112.7	R476	R476-K540 WeakPolarHBondContact O-CD 3.46Å; R476-K540 PolarHBondContact O-NZ 3.35Å
541	N	80.6	Confident	84.4	Confident	47 Å²	47	50 Å²	50	25%	0.251	27%	0.27	S	S	.	.	S	Bend	trans	-131.2	90.8	173.5	-174.8	-18.7	0	0	0	109	P478 A543 A544 T545	P478-N541 HydrophobicContact CB-CB 4.33Å; P478-N541 HydrophobicContact CG-CB 3.69Å; N541-A543 PolarHBondContact O-N 3.09Å; N541-A543 PolarHBondContact OD1-N 3.01Å; N541-A544 HydrophobicContact CB-CB 4.28Å; N541-A544 PolarHBondContact OD1-N 3.44Å; N541-T545 WeakPolarHBondContact O-CB 3.45Å; N541-T545 PolarHBondContact O-N 3.13Å; N541-T545 VanDerWaalsContact O-N 3.11Å; N541-T545 PolarHBondContact O-OG1 3.09Å
542	P	83.7	Confident	84.7	Confident	35 Å²	35	49.5 Å²	49.5	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-45.2	-175.8	-25.8	33.5	0	0	0	113.2	L539 T545 L546 L601	L539-P542 HydrophobicContact CB-CB 4.41Å; L539-P542 HydrophobicContact CB-CG 4.09Å; L539-P542 HydrophobicContact CD1-CB 4.45Å; P542-T545 PolarHBondContact O-N 2.99Å; P542-L546 VanDerWaalsContact O-CB 3.29Å; P542-L546 WeakPolarHBondContact O-CB 3.08Å; P542-L546 WeakPolarHBondContact O-CD1 3.19Å; P542-L546 WeakPolarHBondContact O-CG 3.18Å; P542-L546 PolarHBondContact O-N 2.92Å; P542-L601 HydrophobicContact CB-CD2 3.81Å
543	A	85.4	Confident	85.1	Confident	15 Å²	15	49.2 Å²	49.2	12%	0.124	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-48.8	-176.2	0	0	0	0	0	112.4	N541 T545 L546 I547 A606	N541-A543 PolarHBondContact O-N 3.09Å; N541-A543 PolarHBondContact OD1-N 3.01Å; A543-T545 PolarHBondContact O-N 3.45Å; A543-L546 PolarHBondContact O-N 3.33Å; A543-I547 WeakPolarHBondContact O-CG1 3.34Å; A543-I547 PolarHBondContact O-N 3.29Å; A543-A606 HydrophobicContact CB-CB 4.17Å
544	A	85.5	Confident	85.6	Confident	12 Å²	12	47.1 Å²	47.1	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-42.1	178.1	0	0	0	0	0	111.9	P478 N541 I547 L548	P478-A544 HydrophobicContact CB-CB 4.06Å; N541-A544 HydrophobicContact CB-CB 4.28Å; N541-A544 PolarHBondContact OD1-N 3.44Å; A544-I547 PolarHBondContact O-N 3.03Å; A544-L548 WeakPolarHBondContact O-CG 3.43Å; A544-L548 PolarHBondContact O-N 3.32Å
545	T	88.6	Confident	86.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-44.8	177.7	-52	0	0	0	0	111.7	Y475 P478 L539 N541 P542 A543 I547 L548 I549	Y475-T545 HydrophobicContact CD1-CG2 3.56Å; Y475-T545 HydrophobicContact CE1-CG2 4.19Å; Y475-T545 HydrophobicContact CG-CG2 4.26Å; P478-T545 WeakPolarHBondContact CB-OG1 3.47Å; P478-T545 WeakPolarHBondContact CG-OG1 3.27Å; L539-T545 HydrophobicContact CD1-CG2 4.21Å; L539-T545 HydrophobicContact CD2-CG2 4.11Å; N541-T545 WeakPolarHBondContact O-CB 3.45Å; N541-T545 PolarHBondContact O-N 3.13Å; N541-T545 VanDerWaalsContact O-N 3.11Å; N541-T545 PolarHBondContact O-OG1 3.09Å; P542-T545 PolarHBondContact O-N 2.99Å; A543-T545 PolarHBondContact O-N 3.45Å; T545-I547 VanDerWaalsContact C-N 3.3Å; T545-I547 PolarHBondContact O-N 3.42Å; T545-L548 WeakPolarHBondContact O-CB 3.48Å; T545-L548 PolarHBondContact O-N 2.88Å; T545-I549 HydrophobicContact CG2-CD1 4.11Å; T545-I549 WeakPolarHBondContact O-CG1 3.43Å; T545-I549 PolarHBondContact O-N 3.17Å
546	L	91.1	Very high	87	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-31.3	179.8	-72	166.3	0	0	0	112.5	P527 V528 L531 P542 A543 I549 A550 F589 L601 L610 F614	P527-L546 HydrophobicContact CB-CD2 4.48Å; V528-L546 HydrophobicContact CG2-CD2 3.88Å; L531-L546 HydrophobicContact CD1-CD1 3.63Å; L531-L546 HydrophobicContact CD1-CD2 4.18Å; L531-L546 HydrophobicContact CD1-CG 4.45Å; P542-L546 VanDerWaalsContact O-CB 3.29Å; P542-L546 WeakPolarHBondContact O-CB 3.08Å; P542-L546 WeakPolarHBondContact O-CD1 3.19Å; P542-L546 WeakPolarHBondContact O-CG 3.18Å; P542-L546 PolarHBondContact O-N 2.92Å; A543-L546 PolarHBondContact O-N 3.33Å; L546-I549 HydrophobicContact CD2-CD1 4.2Å; L546-I549 PolarHBondContact O-N 3.06Å; L546-A550 WeakPolarHBondContact O-CB 3.26Å; L546-A550 PolarHBondContact O-N 3.38Å; L546-F589 HydrophobicContact CD1-CZ 4.15Å; L546-L601 HydrophobicContact CD1-CD1 4.06Å; L546-L601 HydrophobicContact CD1-CD2 4.32Å; L546-L610 HydrophobicContact CB-CD1 3.4Å; L546-L610 VanDerWaalsContact CB-CD1 3.4Å; L546-L610 HydrophobicContact CB-CD2 4.49Å; L546-L610 HydrophobicContact CD1-CD1 4.34Å; L546-L610 HydrophobicContact CD1-CD2 4.05Å; L546-F614 HydrophobicContact CB-CE2 4.12Å; L546-F614 HydrophobicContact CD2-CZ 4.44Å; L546-F614 WeakPolarHBondContact O-CE2 3.24Å
547	I	91.5	Very high	88.1	Confident	47 Å²	47	31.8 Å²	31.8	24%	0.241	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-44.6	171.6	-70.5	162.3	0	0	0	110.5	A543 A544 T545 I549 A550 D551 T609 L610 A613	A543-I547 WeakPolarHBondContact O-CG1 3.34Å; A543-I547 PolarHBondContact O-N 3.29Å; A544-I547 PolarHBondContact O-N 3.03Å; T545-I547 VanDerWaalsContact C-N 3.3Å; T545-I547 PolarHBondContact O-N 3.42Å; I547-I549 VanDerWaalsContact C-N 3.35Å; I547-I549 PolarHBondContact O-N 3.28Å; I547-A550 PolarHBondContact O-N 2.83Å; I547-D551 WeakPolarHBondContact O-CB 3.36Å; I547-D551 PolarHBondContact O-N 3.21Å; I547-T609 HydrophobicContact CD1-CG2 3.82Å; I547-L610 HydrophobicContact CD1-CB 4.45Å; I547-L610 HydrophobicContact CG1-CB 4.18Å; I547-L610 HydrophobicContact CG1-CD1 4.05Å; I547-A613 HydrophobicContact CG1-CB 4.44Å; I547-A613 HydrophobicContact CG2-CB 4.5Å
548	L	91.9	Very high	88.9	Confident	34 Å²	34	35.3 Å²	35.3	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-41.9	175.7	-61.7	179.4	0	0	0	111.7	M474 M498 A544 T545 D551 V552	M474-L548 HydrophobicContact CE-CB 4.47Å; M474-L548 HydrophobicContact CG-CB 4.31Å; M474-L548 HydrophobicContact CG-CD1 3.78Å; M474-L548 HydrophobicContact SD-CB 3.8Å; M474-L548 HydrophobicContact SD-CD1 4.32Å; M498-L548 HydrophobicContact CE-CD2 4.49Å; M498-L548 HydrophobicContact CG-CD2 4.04Å; M498-L548 HydrophobicContact SD-CB 4.03Å; M498-L548 HydrophobicContact SD-CD2 4.24Å; A544-L548 WeakPolarHBondContact O-CG 3.43Å; A544-L548 PolarHBondContact O-N 3.32Å; T545-L548 WeakPolarHBondContact O-CB 3.48Å; T545-L548 PolarHBondContact O-N 2.88Å; L548-D551 WeakPolarHBondContact O-CB 3.49Å; L548-D551 PolarHBondContact O-N 3.08Å; L548-V552 WeakPolarHBondContact O-CG2 3.5Å; L548-V552 PolarHBondContact O-N 3.08Å; L548-V552 VanDerWaalsContact O-N 3.11Å
549	I	94.4	Very high	90	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-51	174.3	-70.5	166.3	0	0	0	110.6	M474 Y475 L524 P527 T545 L546 I547 D551 V552 L553	M474-I549 HydrophobicContact CE-CG1 3.93Å; Y475-I549 HydrophobicContact CD1-CD1 4.33Å; Y475-I549 HydrophobicContact CE1-CD1 3.51Å; Y475-I549 HydrophobicContact CE1-CG1 3.63Å; L524-I549 VanDerWaalsContact O-CG2 3.3Å; L524-I549 WeakPolarHBondContact O-CG2 3.33Å; P527-I549 HydrophobicContact CB-CD1 4.36Å; P527-I549 HydrophobicContact CG-CD1 4.01Å; T545-I549 HydrophobicContact CG2-CD1 4.11Å; T545-I549 WeakPolarHBondContact O-CG1 3.43Å; T545-I549 PolarHBondContact O-N 3.17Å; L546-I549 HydrophobicContact CD2-CD1 4.2Å; L546-I549 PolarHBondContact O-N 3.06Å; I547-I549 VanDerWaalsContact C-N 3.35Å; I547-I549 PolarHBondContact O-N 3.28Å; I549-D551 PolarHBondContact O-N 2.78Å; I549-V552 PolarHBondContact O-N 2.79Å; I549-L553 HydrophobicContact CG2-CD1 3.58Å; I549-L553 HydrophobicContact CG2-CG 4.08Å; I549-L553 WeakPolarHBondContact O-CB 3.5Å; I549-L553 VanDerWaalsContact O-CG 3.28Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 2.97Å
550	A	95.5	Very high	90.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-39.6	179	0	0	0	0	0	111.7	L546 I547 L553 A554 A613 F614 V617	L546-A550 WeakPolarHBondContact O-CB 3.26Å; L546-A550 PolarHBondContact O-N 3.38Å; I547-A550 PolarHBondContact O-N 2.83Å; A550-L553 PolarHBondContact O-N 3.41Å; A550-A554 WeakPolarHBondContact O-CB 3.39Å; A550-A554 PolarHBondContact O-N 3.2Å; A550-A613 HydrophobicContact CB-CB 3.71Å; A550-F614 HydrophobicContact CB-CD2 3.83Å; A550-F614 HydrophobicContact CB-CE2 3.75Å; A550-F614 HydrophobicContact CB-CG 4.3Å; A550-F614 HydrophobicContact CB-CZ 4.17Å; A550-V617 HydrophobicContact CB-CG2 3.84Å; A550-V617 WeakPolarHBondContact O-CG2 3.5Å
551	D	94.4	Very high	91.3	Very high	41 Å²	41	34.5 Å²	34.5	22%	0.219	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-40	179	-171.1	60.4	0	0	0	113.2	M498 W502 I547 L548 I549 R555	M498-D551 HydrophobicContact CE-CB 4.32Å; M498-D551 VanDerWaalsContact CE-OD2 3.28Å; M498-D551 WeakPolarHBondContact CE-OD2 3.34Å; W502-D551 WeakPolarHBondContact CZ2-OD2 3.4Å; W502-D551 PolarHBondContact NE1-OD2 2.88Å; I547-D551 WeakPolarHBondContact O-CB 3.36Å; I547-D551 PolarHBondContact O-N 3.21Å; L548-D551 WeakPolarHBondContact O-CB 3.49Å; L548-D551 PolarHBondContact O-N 3.08Å; I549-D551 PolarHBondContact O-N 2.78Å; D551-R555 PolarHBondContact O-N 3.39Å; D551-R555 PolarHBondContact O-NH1 3.11Å; D551-R555 IonicContact OD1-CZ 2.62Å; D551-R555 IonicContact OD1-NH1 3.96Å; D551-R555 PolarHBondContact OD1-NH1 3.46Å; D551-R555 IonicContact OD1-NH2 3.93Å; D551-R555 IonicContact OD2-CZ 3.75Å; D551-R555 IonicContact OD2-NH1 3.86Å; D551-R555 PolarHBondContact OD2-NH1 2.94Å; D551-R555 IonicContact OD2-NH2 2.73Å
552	V	95.3	Very high	91.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-68.5	-47.6	172.3	179.3	0	0	0	0	111	M498 L501 L524 L548 I549 A554 R555 I556	M498-V552 HydrophobicContact CE-CG2 3.64Å; M498-V552 HydrophobicContact SD-CG2 3.73Å; L501-V552 HydrophobicContact CB-CG2 4.47Å; L501-V552 HydrophobicContact CD1-CG2 3.99Å; L524-V552 HydrophobicContact CD1-CG1 3.89Å; L524-V552 HydrophobicContact CD2-CB 4.43Å; L524-V552 HydrophobicContact CD2-CG1 4.24Å; L548-V552 WeakPolarHBondContact O-CG2 3.5Å; L548-V552 PolarHBondContact O-N 3.08Å; L548-V552 VanDerWaalsContact O-N 3.11Å; I549-V552 PolarHBondContact O-N 2.79Å; V552-A554 VanDerWaalsContact C-N 3.31Å; V552-A554 PolarHBondContact O-N 3.08Å; V552-R555 PolarHBondContact O-N 3.39Å; V552-R555 VanDerWaalsContact O-N 3.16Å; V552-I556 HydrophobicContact CG1-CD1 3.96Å; V552-I556 WeakPolarHBondContact O-CG1 3.49Å; V552-I556 PolarHBondContact O-N 3.37Å
553	L	96.6	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-40.5	-179.7	-69.2	173	0	0	0	112	L524 L525 I549 A550 R555 I556 A557 F566 V586 V617	L524-L553 HydrophobicContact CB-CD2 3.99Å; L524-L553 HydrophobicContact CD1-CD2 4.02Å; L525-L553 HydrophobicContact CD2-CD1 3.66Å; L525-L553 HydrophobicContact CD2-CD2 4.32Å; L525-L553 HydrophobicContact CG-CD1 4.5Å; L525-L553 HydrophobicContact CG-CD2 4.35Å; I549-L553 HydrophobicContact CG2-CD1 3.58Å; I549-L553 HydrophobicContact CG2-CG 4.08Å; I549-L553 WeakPolarHBondContact O-CB 3.5Å; I549-L553 VanDerWaalsContact O-CG 3.28Å; I549-L553 WeakPolarHBondContact O-CG 3.35Å; I549-L553 PolarHBondContact O-N 2.97Å; A550-L553 PolarHBondContact O-N 3.41Å; L553-R555 PolarHBondContact O-N 2.83Å; L553-I556 PolarHBondContact O-N 2.95Å; L553-A557 WeakPolarHBondContact O-CB 3.29Å; L553-A557 PolarHBondContact O-N 3.02Å; L553-F566 HydrophobicContact CB-CZ 4.15Å; L553-F566 HydrophobicContact CD2-CE1 4.38Å; L553-F566 HydrophobicContact CD2-CZ 3.67Å; L553-F566 HydrophobicContact CG-CZ 4.46Å; L553-V586 HydrophobicContact CD1-CG2 4.45Å; L553-V617 HydrophobicContact CB-CG1 3.95Å; L553-V617 HydrophobicContact CB-CG2 4.16Å
554	A	96.1	Very high	92.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-44	176.6	0	0	0	0	0	111.4	A550 V552 I556 A557 N558 F616 V617 Q620	A550-A554 WeakPolarHBondContact O-CB 3.39Å; A550-A554 PolarHBondContact O-N 3.2Å; V552-A554 VanDerWaalsContact C-N 3.31Å; V552-A554 PolarHBondContact O-N 3.08Å; A554-I556 PolarHBondContact O-N 3.08Å; A554-A557 PolarHBondContact O-N 2.91Å; A554-N558 WeakPolarHBondContact O-CB 3.46Å; A554-N558 PolarHBondContact O-N 3.17Å; A554-F616 HydrophobicContact CB-CD1 3.54Å; A554-F616 HydrophobicContact CB-CE1 3.62Å; A554-V617 HydrophobicContact CB-CG2 4.08Å; A554-Q620 HydrophobicContact CB-CG 4.05Å; A554-Q620 WeakPolarHBondContact O-CG 3.31Å
555	R	94.8	Very high	92.8	Very high	74 Å²	74	32.2 Å²	32.2	28%	0.279	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-40.1	177.4	-77.7	176.1	-177	70	-9.3	112.7	W502 C505 D551 V552 L553 N558	W502-R555 VanDerWaalsContact CD1-CZ 3.48Å; W502-R555 VanDerWaalsContact CD1-NE 3.3Å; W502-R555 VanDerWaalsContact CE2-NH2 3.35Å; C505-R555 HydrophobicContact CB-CB 3.85Å; C505-R555 HydrophobicContact CB-CG 4.46Å; D551-R555 PolarHBondContact O-N 3.39Å; D551-R555 PolarHBondContact O-NH1 3.11Å; D551-R555 IonicContact OD1-CZ 2.62Å; D551-R555 IonicContact OD1-NH1 3.96Å; D551-R555 PolarHBondContact OD1-NH1 3.46Å; D551-R555 IonicContact OD1-NH2 3.93Å; D551-R555 IonicContact OD2-CZ 3.75Å; D551-R555 IonicContact OD2-NH1 3.86Å; D551-R555 PolarHBondContact OD2-NH1 2.94Å; D551-R555 IonicContact OD2-NH2 2.73Å; V552-R555 PolarHBondContact O-N 3.39Å; V552-R555 VanDerWaalsContact O-N 3.16Å; L553-R555 PolarHBondContact O-N 2.83Å; R555-N558 PolarHBondContact O-N 3.14Å
556	I	94.8	Very high	93	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-50.9	175.3	-66.3	171.4	0	0	0	110	L515 I521 L524 V552 L553 A554 N558 T559 G562 F566	L515-I556 HydrophobicContact CB-CD1 4.21Å; L515-I556 HydrophobicContact CB-CG1 4.39Å; I521-I556 HydrophobicContact CD1-CD1 3.97Å; I521-I556 HydrophobicContact CD1-CG2 4.22Å; L524-I556 HydrophobicContact CD1-CD1 3.87Å; V552-I556 HydrophobicContact CG1-CD1 3.96Å; V552-I556 WeakPolarHBondContact O-CG1 3.49Å; V552-I556 PolarHBondContact O-N 3.37Å; L553-I556 PolarHBondContact O-N 2.95Å; A554-I556 PolarHBondContact O-N 3.08Å; I556-N558 PolarHBondContact O-N 3.33Å; I556-T559 PolarHBondContact O-N 3.05Å; I556-T559 VanDerWaalsContact O-N 3.11Å; I556-T559 PolarHBondContact O-OG1 3.41Å; I556-G562 WeakPolarHBondContact O-CA 3.39Å; I556-F566 HydrophobicContact CB-CE2 4.38Å; I556-F566 HydrophobicContact CG2-CE2 3.79Å
557	A	94.3	Very high	93.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-17.9	-178.6	0	0	0	0	0	114	L553 A554 T559 F566 Q620 M621	L553-A557 WeakPolarHBondContact O-CB 3.29Å; L553-A557 PolarHBondContact O-N 3.02Å; A554-A557 PolarHBondContact O-N 2.91Å; A557-T559 VanDerWaalsContact C-N 3.26Å; A557-T559 PolarHBondContact O-N 3.22Å; A557-F566 HydrophobicContact CB-CE1 4.49Å; A557-F566 HydrophobicContact CB-CE2 4.45Å; A557-F566 HydrophobicContact CB-CZ 4.36Å; A557-Q620 HydrophobicContact CB-CB 3.92Å; A557-M621 HydrophobicContact CB-CG 4.23Å
558	N	92.6	Very high	92.9	Very high	108 Å²	108	36.4 Å²	36.4	58%	0.578	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.1	175.7	-174.8	59.5	0	0	0	113.5	A554 R555 I556 Q620	A554-N558 WeakPolarHBondContact O-CB 3.46Å; A554-N558 PolarHBondContact O-N 3.17Å; R555-N558 PolarHBondContact O-N 3.14Å; I556-N558 PolarHBondContact O-N 3.33Å; N558-Q620 HydrophobicContact CB-CB 4.47Å; N558-Q620 HydrophobicContact CB-CG 4.33Å; N558-Q620 PolarHBondContact OD1-OE1 2.93Å; N558-Q620 VanDerWaalsContact OD1-OE1 3.13Å
559	T	91.2	Very high	92.4	Very high	25 Å²	25	38 Å²	38	15%	0.153	18%	0.183	C	C	.	.	S	Bend	trans	-105.6	147.3	174.8	69	0	0	0	0	110.4	H516 I556 A557 R561 G562 L563	H516-T559 PolarHBondContact CE1-OG1 3.44Å; H516-T559 VanDerWaalsContact CE1-OG1 3.23Å; H516-T559 PolarHBondContact NE2-OG1 2.98Å; I556-T559 PolarHBondContact O-N 3.05Å; I556-T559 VanDerWaalsContact O-N 3.11Å; I556-T559 PolarHBondContact O-OG1 3.41Å; A557-T559 VanDerWaalsContact C-N 3.26Å; A557-T559 PolarHBondContact O-N 3.22Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 2.89Å; T559-G562 PolarHBondContact O-N 3.29Å; T559-G562 WeakPolarHBondContact OG1-CA 3.05Å; T559-G562 PolarHBondContact OG1-N 3.5Å; T559-G562 VanDerWaalsContact OG1-N 3.09Å; T559-L563 VanDerWaalsContact O-CB 3.3Å; T559-L563 WeakPolarHBondContact O-CB 3.38Å; T559-L563 PolarHBondContact O-N 2.95Å
560	D	89.9	Confident	91.7	Very high	145 Å²	145	43.4 Å²	43.4	78%	0.775	21%	0.206	S	C	*	.	H	α-helix	trans	-57.1	-46.6	-178.4	-61	-30.1	0	0	0	112.5	L563 A564	D560-L563 PolarHBondContact O-N 3.25Å; D560-A564 WeakPolarHBondContact O-CB 3.48Å; D560-A564 PolarHBondContact O-N 3.39Å
561	R	88.8	Confident	90.8	Very high	138 Å²	138	45.9 Å²	45.9	52%	0.521	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-40.7	178.8	-175.2	169.5	172.5	174.6	-5	111.9	A512 T559 A564 L565	A512-R561 VanDerWaalsContact CB-NH1 3.28Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 2.89Å; R561-A564 PolarHBondContact O-N 2.74Å; R561-L565 WeakPolarHBondContact O-CG 3.34Å; R561-L565 PolarHBondContact O-N 3.09Å
562	G	91.6	Very high	89.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-40.5	177.1	0	0	0	0	0	112.1	I556 T559 A564 L565 F566	I556-G562 WeakPolarHBondContact O-CA 3.39Å; T559-G562 PolarHBondContact O-N 3.29Å; T559-G562 WeakPolarHBondContact OG1-CA 3.05Å; T559-G562 PolarHBondContact OG1-N 3.5Å; T559-G562 VanDerWaalsContact OG1-N 3.09Å; G562-A564 VanDerWaalsContact C-N 3.34Å; G562-A564 PolarHBondContact O-N 3.12Å; G562-L565 WeakPolarHBondContact O-CB 3.31Å; G562-L565 PolarHBondContact O-N 3.43Å; G562-F566 VanDerWaalsContact O-CD2 3.28Å; G562-F566 WeakPolarHBondContact O-CD2 3.36Å; G562-F566 PolarHBondContact O-N 3.24Å
563	L	93	Very high	88.8	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-44.2	173.1	-179.2	61.4	0	0	0	111.3	T559 D560 L565 F566 L567 M621 T624	T559-L563 VanDerWaalsContact O-CB 3.3Å; T559-L563 WeakPolarHBondContact O-CB 3.38Å; T559-L563 PolarHBondContact O-N 2.95Å; D560-L563 PolarHBondContact O-N 3.25Å; L563-L565 VanDerWaalsContact C-N 3.26Å; L563-L565 PolarHBondContact O-N 2.97Å; L563-F566 WeakPolarHBondContact O-CA 3.46Å; L563-F566 WeakPolarHBondContact O-CB 3.36Å; L563-F566 PolarHBondContact O-N 3.01Å; L563-L567 HydrophobicContact CD1-CD1 3.89Å; L563-L567 HydrophobicContact CD1-CD2 4.38Å; L563-L567 HydrophobicContact CD1-CG 3.98Å; L563-L567 HydrophobicContact CD2-CD1 4.35Å; L563-L567 HydrophobicContact CG-CD1 3.82Å; L563-L567 HydrophobicContact CG-CG 4.23Å; L563-L567 WeakPolarHBondContact O-CG 3.43Å; L563-L567 PolarHBondContact O-N 3.33Å; L563-M621 HydrophobicContact CD1-CB 4.04Å; L563-M621 HydrophobicContact CD1-CG 3.82Å; L563-T624 HydrophobicContact CD2-CG2 3.67Å
564	A	91.9	Very high	87.3	Confident	37 Å²	37	49.7 Å²	49.7	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-57.3	-38.9	176.3	0	0	0	0	0	112.3	D560 R561 G562 F566 L567 Y568	D560-A564 WeakPolarHBondContact O-CB 3.48Å; D560-A564 PolarHBondContact O-N 3.39Å; R561-A564 PolarHBondContact O-N 2.74Å; G562-A564 VanDerWaalsContact C-N 3.34Å; G562-A564 PolarHBondContact O-N 3.12Å; A564-F566 VanDerWaalsContact C-N 3.27Å; A564-F566 PolarHBondContact O-N 2.71Å; A564-L567 PolarHBondContact O-N 3.18Å; A564-Y568 HydrophobicContact CB-CD2 4.13Å; A564-Y568 WeakPolarHBondContact O-CB 3.41Å; A564-Y568 PolarHBondContact O-N 2.98Å
565	L	90.8	Very high	85.5	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-40.5	172.7	-60.7	177.4	0	0	0	111.8	H516 I521 R561 G562 L563 L567 E569	H516-L565 HydrophobicContact CB-CD1 3.55Å; I521-L565 HydrophobicContact CG1-CD1 4.35Å; R561-L565 WeakPolarHBondContact O-CG 3.34Å; R561-L565 PolarHBondContact O-N 3.09Å; G562-L565 WeakPolarHBondContact O-CB 3.31Å; G562-L565 PolarHBondContact O-N 3.43Å; L563-L565 VanDerWaalsContact C-N 3.26Å; L563-L565 PolarHBondContact O-N 2.97Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.02Å; L565-E569 HydrophobicContact CD2-CG 4Å; L565-E569 WeakPolarHBondContact CD2-OE1 3.44Å; L565-E569 WeakPolarHBondContact O-CB 3.33Å; L565-E569 PolarHBondContact O-N 3.27Å
566	F	92.9	Very high	83.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.7	-33.9	-178.3	-85.4	-116.7	0	0	0	113	I521 L553 I556 A557 G562 L563 A564 F581 A582 A583 V586 V617 M621	I521-F566 HydrophobicContact CD1-CE2 4.23Å; L553-F566 HydrophobicContact CB-CZ 4.15Å; L553-F566 HydrophobicContact CD2-CE1 4.38Å; L553-F566 HydrophobicContact CD2-CZ 3.67Å; L553-F566 HydrophobicContact CG-CZ 4.46Å; I556-F566 HydrophobicContact CB-CE2 4.38Å; I556-F566 HydrophobicContact CG2-CE2 3.79Å; A557-F566 HydrophobicContact CB-CE1 4.49Å; A557-F566 HydrophobicContact CB-CE2 4.45Å; A557-F566 HydrophobicContact CB-CZ 4.36Å; G562-F566 VanDerWaalsContact O-CD2 3.28Å; G562-F566 WeakPolarHBondContact O-CD2 3.36Å; G562-F566 PolarHBondContact O-N 3.24Å; L563-F566 WeakPolarHBondContact O-CA 3.46Å; L563-F566 WeakPolarHBondContact O-CB 3.36Å; L563-F566 PolarHBondContact O-N 3.01Å; A564-F566 VanDerWaalsContact C-N 3.27Å; A564-F566 PolarHBondContact O-N 2.71Å; F566-F581 WeakPolarHBondContact O-CB 3.49Å; F566-A582 HydrophobicContact CB-CB 4.41Å; F566-A582 HydrophobicContact CD1-CB 3.79Å; F566-A582 HydrophobicContact CD2-CB 4.42Å; F566-A582 HydrophobicContact CE1-CB 4.2Å; F566-A582 HydrophobicContact CG-CB 3.95Å; F566-A583 HydrophobicContact CB-CB 4.26Å; F566-A583 WeakPolarHBondContact O-CB 3.42Å; F566-A583 PolarHBondContact O-N 3.47Å; F566-V586 HydrophobicContact CE1-CG2 4.08Å; F566-V617 HydrophobicContact CE1-CG1 4.43Å; F566-M621 HydrophobicContact CB-SD 4.15Å; F566-M621 HydrophobicContact CD1-SD 3.71Å; F566-M621 HydrophobicContact CG-SD 4.32Å
567	L	91.8	Very high	82.1	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-92.5	-33.3	-173.4	-59	-176.7	0	0	0	113.3	L563 A564 L565 F581 A583 E626 V630	L563-L567 HydrophobicContact CD1-CD1 3.89Å; L563-L567 HydrophobicContact CD1-CD2 4.38Å; L563-L567 HydrophobicContact CD1-CG 3.98Å; L563-L567 HydrophobicContact CD2-CD1 4.35Å; L563-L567 HydrophobicContact CG-CD1 3.82Å; L563-L567 HydrophobicContact CG-CG 4.23Å; L563-L567 WeakPolarHBondContact O-CG 3.43Å; L563-L567 PolarHBondContact O-N 3.33Å; A564-L567 PolarHBondContact O-N 3.18Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-L567 PolarHBondContact O-N 3.02Å; L567-F581 VanDerWaalsContact O-CD1 3.25Å; L567-F581 WeakPolarHBondContact O-CD1 3.43Å; L567-A583 HydrophobicContact CD2-CB 3.96Å; L567-E626 HydrophobicContact CD1-CB 4.45Å; L567-E626 HydrophobicContact CD1-CG 3.85Å; L567-V630 HydrophobicContact CD2-CB 4.03Å; L567-V630 HydrophobicContact CD2-CG1 4.1Å; L567-V630 HydrophobicContact CD2-CG2 4.11Å
568	Y	87.3	Confident	81	Confident	130 Å²	130	68.4 Å²	68.4	51%	0.51	35%	0.353	S	S	.	.	H	α-helix	trans	-117.7	-20.3	-166.4	-61.4	-58.9	0	0	0	115.3	A564 K570 F581 E626	A564-Y568 HydrophobicContact CB-CD2 4.13Å; A564-Y568 WeakPolarHBondContact O-CB 3.41Å; A564-Y568 PolarHBondContact O-N 2.98Å; Y568-K570 PolarHBondContact O-N 3.44Å; Y568-F581 WeakPolarHBondContact O-CE1 3.18Å; Y568-E626 HydrophobicContact CE2-CG 4.47Å; Y568-E626 VanDerWaalsContact CE2-OE1 3.25Å; Y568-E626 WeakPolarHBondContact CE2-OE1 3.47Å; Y568-E626 WeakPolarHBondContact OH-CG 3.43Å; Y568-E626 PolarHBondContact OH-OE1 3.41Å
569	E	83.3	Confident	80.4	Confident	69 Å²	69	68.8 Å²	68.8	32%	0.322	35%	0.349	S	S	.	.			trans	-88.8	112.2	179.3	-73	-161.4	-178.1	0	0	112.4	T518 L565 N571	T518-E569 PolarHBondContact OG1-OE2 2.86Å; L565-E569 HydrophobicContact CD2-CG 4Å; L565-E569 WeakPolarHBondContact CD2-OE1 3.44Å; L565-E569 WeakPolarHBondContact O-CB 3.33Å; L565-E569 PolarHBondContact O-N 3.27Å; E569-N571 PolarHBondContact O-N 2.91Å; E569-N571 PolarHBondContact OE2-ND2 3.41Å
570	K	79.4	Confident	80.2	Confident	112 Å²	112	68.9 Å²	68.9	49%	0.487	35%	0.349	S	S	.	.			trans	-92.7	66.9	178.7	-161.4	-175.7	178.5	174.8	0	110.9	Y568 K579 F581	Y568-K570 PolarHBondContact O-N 3.44Å; K570-K579 HydrophobicContact CD-CB 4.17Å; K570-K579 WeakPolarHBondContact CE-O 3.43Å; K570-K579 HydrophobicContact CG-CB 3.73Å; K570-K579 VanDerWaalsContact O-CD 3.28Å; K570-K579 WeakPolarHBondContact O-CD 3.07Å; K570-F581 HydrophobicContact CB-CD1 4.17Å; K570-F581 HydrophobicContact CB-CE1 3.84Å; K570-F581 HydrophobicContact CB-CZ 4.22Å; K570-F581 HydrophobicContact CD-CZ 4.46Å; K570-F581 HydrophobicContact CG-CE1 4.4Å; K570-F581 HydrophobicContact CG-CZ 4.37Å
571	N	75.1	Confident	80.2	Confident	52 Å²	52	64.5 Å²	64.5	28%	0.278	32%	0.324	S	S	.	.			trans	-110	-14.8	-171.2	-69.5	-29	0	0	0	114.5	T518 E569 T580	T518-N571 HydrophobicContact CG2-CB 3.31Å; T518-N571 VanDerWaalsContact CG2-ND2 3.34Å; T518-N571 WeakPolarHBondContact CG2-ND2 3.43Å; T518-N571 PolarHBondContact OG1-ND2 3.44Å; E569-N571 PolarHBondContact O-N 2.91Å; E569-N571 PolarHBondContact OE2-ND2 3.41Å; N571-T580 PolarHBondContact N-O 3.19Å
572	L	76.3	Confident	80.5	Confident	11 Å²	11	58 Å²	58	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.8	-172.7	-65.3	156	0	0	0	111.5	I521 E522 L525 K579 T580 A582 I585	I521-L572 HydrophobicContact CG2-CD1 4.44Å; E522-L572 HydrophobicContact CB-CD2 4.16Å; E522-L572 HydrophobicContact CG-CD2 3.65Å; L525-L572 HydrophobicContact CB-CD2 4.37Å; L525-L572 HydrophobicContact CD1-CD1 3.5Å; L525-L572 HydrophobicContact CD1-CD2 4.29Å; L572-K579 CarbonylContact O-C 3.57Å; L572-K579 WeakPolarHBondContact O-CA 3.23Å; L572-T580 HydrophobicContact CB-CG2 4.34Å; L572-T580 PolarHBondContact N-O 3.06Å; L572-T580 PolarHBondContact O-N 3.46Å; L572-A582 VanDerWaalsContact CD1-CA 3.41Å; L572-A582 HydrophobicContact CD1-CB 3.59Å; L572-I585 HydrophobicContact CB-CD1 3.57Å; L572-I585 HydrophobicContact CD1-CD1 3.62Å; L572-I585 HydrophobicContact CG-CD1 4.09Å
573	V	71.9	Confident	80.6	Confident	82 Å²	82	58 Å²	58	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.7	177.4	-178.7	0	0	0	0	110.3	K579	V573-K579 HydrophobicContact CG2-CG 4.39Å
574	V	64.7	Low	80.6	Confident	30 Å²	30	59.3 Å²	59.3	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	165.3	169.9	178.4	0	0	0	0	108.9	H576 S577 E578 T580 I585	V574-H576 PolarHBondContact O-N 2.87Å; V574-S577 PolarHBondContact O-N 2.84Å; V574-E578 PolarHBondContact N-O 2.99Å; V574-T580 HydrophobicContact CB-CG2 4.39Å; V574-T580 HydrophobicContact CG2-CG2 3.47Å; V574-T580 VanDerWaalsContact CG2-CG2 3.47Å; V574-I585 HydrophobicContact CG2-CD1 3.84Å; V574-I585 HydrophobicContact CG2-CG1 4Å
575	A	59	Low	80.7	Confident	46 Å²	46	57.5 Å²	57.5	38%	0.38	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.2	135.2	-176.7	0	0	0	0	0	112.8	N533	N533-A575 WeakPolarHBondContact OD1-CB 3.31Å
576	H	58.8	Low	80.9	Confident	176 Å²	176	56.9 Å²	56.9	82%	0.815	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	18.3	-173.9	-45.7	83.1	0	0	0	116.6	V574 E578	V574-H576 PolarHBondContact O-N 2.87Å; H576-E578 PolarHBondContact O-N 3.44Å
577	S	60	Low	81	Confident	103 Å²	103	56.9 Å²	56.9	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	12.5	174.7	-45.7	0	0	0	0	115.1	V574 K579	V574-S577 PolarHBondContact O-N 2.84Å; S577-K579 PolarHBondContact O-N 3.49Å
578	E	71.4	Confident	81.1	Confident	145 Å²	145	60.1 Å²	60.1	68%	0.678	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	122	172.9	-70.2	-170.8	173.1	0	0	109.5	V574 H576	V574-E578 PolarHBondContact N-O 2.99Å; H576-E578 PolarHBondContact O-N 3.44Å
579	K	78.8	Confident	81.4	Confident	116 Å²	116	53.9 Å²	53.9	50%	0.504	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.9	169.1	-58.7	-168.1	179.6	-172.5	0	109.3	K570 L572 V573 S577	K570-K579 HydrophobicContact CD-CB 4.17Å; K570-K579 WeakPolarHBondContact CE-O 3.43Å; K570-K579 HydrophobicContact CG-CB 3.73Å; K570-K579 VanDerWaalsContact O-CD 3.28Å; K570-K579 WeakPolarHBondContact O-CD 3.07Å; L572-K579 CarbonylContact O-C 3.57Å; L572-K579 WeakPolarHBondContact O-CA 3.23Å; V573-K579 HydrophobicContact CG2-CG 4.39Å; S577-K579 PolarHBondContact O-N 3.49Å
580	T	87.1	Confident	82	Confident	26 Å²	26	50.6 Å²	50.6	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	173.5	176.3	-164.4	0	0	0	0	110.4	N571 L572 V574 I585	N571-T580 PolarHBondContact N-O 3.19Å; L572-T580 HydrophobicContact CB-CG2 4.34Å; L572-T580 PolarHBondContact N-O 3.06Å; L572-T580 PolarHBondContact O-N 3.46Å; V574-T580 HydrophobicContact CB-CG2 4.39Å; V574-T580 HydrophobicContact CG2-CG2 3.47Å; V574-T580 VanDerWaalsContact CG2-CG2 3.47Å; T580-I585 HydrophobicContact CG2-CD1 3.62Å; T580-I585 HydrophobicContact CG2-CG1 3.58Å
581	F	91	Very high	82.6	Confident	53 Å²	53	46.8 Å²	46.8	23%	0.232	25%	0.247	C	C	.	.			trans	-92	149.5	178.3	-49.3	-88.4	0	0	0	110.9	F566 L567 Y568 K570 A583 H584 I585	F566-F581 WeakPolarHBondContact O-CB 3.49Å; L567-F581 VanDerWaalsContact O-CD1 3.25Å; L567-F581 WeakPolarHBondContact O-CD1 3.43Å; Y568-F581 WeakPolarHBondContact O-CE1 3.18Å; K570-F581 HydrophobicContact CB-CD1 4.17Å; K570-F581 HydrophobicContact CB-CE1 3.84Å; K570-F581 HydrophobicContact CB-CZ 4.22Å; K570-F581 HydrophobicContact CD-CZ 4.46Å; K570-F581 HydrophobicContact CG-CE1 4.4Å; K570-F581 HydrophobicContact CG-CZ 4.37Å; F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.44Å; F581-H584 AromaticContact CD2-CE1 3.37Å; F581-H584 WeakPolarHBondContact CD2-CE1 3.44Å; F581-H584 AromaticContact CD2-ND1 3.69Å; F581-H584 AromaticContact CD2-NE2 3.76Å; F581-H584 AromaticContact CG-CE1 4Å; F581-H584 WeakPolarHBondContact O-CB 3.48Å; F581-H584 PolarHBondContact O-N 3.03Å; F581-I585 PolarHBondContact O-N 2.99Å
582	A	93.4	Very high	83.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-39.2	180	0	0	0	0	0	112.3	I521 L525 F566 L572 H584 I585 V586	I521-A582 HydrophobicContact CG2-CB 4.09Å; L525-A582 HydrophobicContact CD1-CB 3.6Å; F566-A582 HydrophobicContact CB-CB 4.41Å; F566-A582 HydrophobicContact CD1-CB 3.79Å; F566-A582 HydrophobicContact CD2-CB 4.42Å; F566-A582 HydrophobicContact CE1-CB 4.2Å; F566-A582 HydrophobicContact CG-CB 3.95Å; L572-A582 VanDerWaalsContact CD1-CA 3.41Å; L572-A582 HydrophobicContact CD1-CB 3.59Å; A582-H584 PolarHBondContact O-N 3.29Å; A582-I585 PolarHBondContact O-N 3.39Å; A582-V586 WeakPolarHBondContact O-CG2 3.41Å; A582-V586 PolarHBondContact O-N 3.47Å
583	A	94.3	Very high	84	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56	-37.8	176.8	0	0	0	0	0	112.7	F566 L567 F581 V587 M621 L631	F566-A583 HydrophobicContact CB-CB 4.26Å; F566-A583 WeakPolarHBondContact O-CB 3.42Å; F566-A583 PolarHBondContact O-N 3.47Å; L567-A583 HydrophobicContact CD2-CB 3.96Å; F581-A583 VanDerWaalsContact C-N 3.27Å; F581-A583 PolarHBondContact O-N 3.44Å; A583-V587 WeakPolarHBondContact O-CG2 3.41Å; A583-V587 PolarHBondContact O-N 2.98Å; A583-M621 HydrophobicContact CB-CE 4.41Å; A583-M621 HydrophobicContact CB-SD 3.55Å; A583-M621 VanDerWaalsContact CB-SD 3.55Å; A583-L631 HydrophobicContact CB-CD2 4.06Å
584	H	92.8	Very high	84.8	Confident	37 Å²	37	45.8 Å²	45.8	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-41.8	-178.5	-65.4	49.6	0	0	0	110.5	F581 A582 Q588 Y634	F581-H584 AromaticContact CD2-CE1 3.37Å; F581-H584 WeakPolarHBondContact CD2-CE1 3.44Å; F581-H584 AromaticContact CD2-ND1 3.69Å; F581-H584 AromaticContact CD2-NE2 3.76Å; F581-H584 AromaticContact CG-CE1 4Å; F581-H584 WeakPolarHBondContact O-CB 3.48Å; F581-H584 PolarHBondContact O-N 3.03Å; A582-H584 PolarHBondContact O-N 3.29Å; H584-Q588 WeakPolarHBondContact O-CB 3.4Å; H584-Q588 VanDerWaalsContact O-CG 3.25Å; H584-Q588 WeakPolarHBondContact O-CG 3.37Å; H584-Q588 PolarHBondContact O-N 2.82Å; H584-Y634 WeakPolarHBondContact CB-OH 3.45Å; H584-Y634 AromaticContact CD2-CZ 3.94Å; H584-Y634 PolarHBondContact CD2-OH 3.2Å; H584-Y634 VanDerWaalsContact CG-OH 3.27Å
585	I	93.7	Very high	85.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-49.1	176.6	-63.9	177.3	0	0	0	110.5	L525 V528 V529 L532 L572 V574 T580 F581 A582 V587 Q588 F589	L525-I585 HydrophobicContact CD2-CG2 4.41Å; V528-I585 HydrophobicContact CG1-CG2 3.94Å; V529-I585 HydrophobicContact CG2-CD1 3.63Å; V529-I585 HydrophobicContact CG2-CG1 4.46Å; V529-I585 HydrophobicContact CG2-CG2 3.85Å; L532-I585 HydrophobicContact CD1-CG2 3.86Å; L572-I585 HydrophobicContact CB-CD1 3.57Å; L572-I585 HydrophobicContact CD1-CD1 3.62Å; L572-I585 HydrophobicContact CG-CD1 4.09Å; V574-I585 HydrophobicContact CG2-CD1 3.84Å; V574-I585 HydrophobicContact CG2-CG1 4Å; T580-I585 HydrophobicContact CG2-CD1 3.62Å; T580-I585 HydrophobicContact CG2-CG1 3.58Å; F581-I585 PolarHBondContact O-N 2.99Å; A582-I585 PolarHBondContact O-N 3.39Å; I585-V587 PolarHBondContact O-N 2.92Å; I585-Q588 PolarHBondContact O-N 3.17Å; I585-F589 WeakPolarHBondContact O-CB 3.42Å; I585-F589 PolarHBondContact O-N 2.98Å
586	V	96.1	Very high	86.6	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-46.1	-179.6	173.7	0	0	0	0	111.3	L525 L553 F566 A582 F589 T590 F614 V617 M621	L525-V586 HydrophobicContact CD2-CG2 3.91Å; L553-V586 HydrophobicContact CD1-CG2 4.45Å; F566-V586 HydrophobicContact CE1-CG2 4.08Å; A582-V586 WeakPolarHBondContact O-CG2 3.41Å; A582-V586 PolarHBondContact O-N 3.47Å; V586-F589 PolarHBondContact O-N 3.4Å; V586-T590 WeakPolarHBondContact O-CB 3.22Å; V586-T590 PolarHBondContact O-N 3.16Å; V586-T590 PolarHBondContact O-OG1 3.1Å; V586-F614 HydrophobicContact CG1-CD1 4.21Å; V586-V617 HydrophobicContact CG1-CB 3.96Å; V586-V617 HydrophobicContact CG1-CG1 3.69Å; V586-V617 HydrophobicContact CG2-CG1 4.46Å; V586-M621 HydrophobicContact CB-CE 4.2Å; V586-M621 HydrophobicContact CG1-CE 3.95Å
587	V	95.4	Very high	87	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.2	-40.9	-179.4	171.6	0	0	0	0	112	A583 I585 F589 T590 L591 M621 L631 Y634	A583-V587 WeakPolarHBondContact O-CG2 3.41Å; A583-V587 PolarHBondContact O-N 2.98Å; I585-V587 PolarHBondContact O-N 2.92Å; V587-F589 VanDerWaalsContact C-N 3.31Å; V587-F589 PolarHBondContact O-N 2.83Å; V587-T590 PolarHBondContact O-N 3.39Å; V587-L591 HydrophobicContact CG1-CD1 4.21Å; V587-L591 HydrophobicContact CG1-CG 4.38Å; V587-L591 WeakPolarHBondContact O-CG 3.34Å; V587-L591 PolarHBondContact O-N 3.49Å; V587-M621 HydrophobicContact CG2-CE 4.21Å; V587-L631 HydrophobicContact CB-CD2 4.27Å; V587-L631 HydrophobicContact CG2-CD1 3.83Å; V587-L631 HydrophobicContact CG2-CD2 3.44Å; V587-L631 VanDerWaalsContact CG2-CD2 3.44Å; V587-L631 HydrophobicContact CG2-CG 4.14Å; V587-Y634 HydrophobicContact CB-CG 4.48Å; V587-Y634 HydrophobicContact CG1-CD1 3.89Å; V587-Y634 HydrophobicContact CG1-CD2 4.05Å; V587-Y634 HydrophobicContact CG1-CG 3.54Å
588	Q	93.4	Very high	87.6	Confident	73 Å²	73	44.8 Å²	44.8	34%	0.341	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-42.4	174.8	-76.7	-179.8	-4.6	0	0	111.8	L532 H584 I585 L591 R592 Y634	L532-Q588 HydrophobicContact CD1-CB 4.43Å; H584-Q588 WeakPolarHBondContact O-CB 3.4Å; H584-Q588 VanDerWaalsContact O-CG 3.25Å; H584-Q588 WeakPolarHBondContact O-CG 3.37Å; H584-Q588 PolarHBondContact O-N 2.82Å; I585-Q588 PolarHBondContact O-N 3.17Å; Q588-L591 PolarHBondContact O-N 3.05Å; Q588-R592 WeakPolarHBondContact O-CG 3.41Å; Q588-R592 PolarHBondContact O-N 3.16Å; Q588-Y634 HydrophobicContact CG-CE1 3.86Å
589	F	93.8	Very high	87.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-46.5	176.5	-171.8	-110.7	0	0	0	111.9	V528 L531 L532 L546 I585 V586 V587 L591 R592 L593 L598 L601 F614	V528-F589 HydrophobicContact CG1-CB 3.66Å; V528-F589 HydrophobicContact CG1-CD1 3.84Å; V528-F589 HydrophobicContact CG1-CD2 3.75Å; V528-F589 HydrophobicContact CG1-CE1 4.38Å; V528-F589 HydrophobicContact CG1-CE2 4.32Å; V528-F589 HydrophobicContact CG1-CG 3.48Å; V528-F589 VanDerWaalsContact CG1-CG 3.48Å; L531-F589 HydrophobicContact CB-CE2 4.01Å; L531-F589 HydrophobicContact CD1-CE2 4.2Å; L531-F589 HydrophobicContact CD1-CZ 4.23Å; L532-F589 HydrophobicContact CD1-CB 4.26Å; L532-F589 HydrophobicContact CD2-CB 4.15Å; L532-F589 HydrophobicContact CD2-CD2 4Å; L532-F589 HydrophobicContact CG-CB 4.31Å; L532-F589 HydrophobicContact CG-CD2 4.02Å; L546-F589 HydrophobicContact CD1-CZ 4.15Å; I585-F589 WeakPolarHBondContact O-CB 3.42Å; I585-F589 PolarHBondContact O-N 2.98Å; V586-F589 PolarHBondContact O-N 3.4Å; V587-F589 VanDerWaalsContact C-N 3.31Å; V587-F589 PolarHBondContact O-N 2.83Å; F589-L591 VanDerWaalsContact C-N 3.32Å; F589-L591 PolarHBondContact O-N 3.47Å; F589-R592 PolarHBondContact O-N 3.12Å; F589-R592 VanDerWaalsContact O-N 3.12Å; F589-L593 HydrophobicContact CD1-CD1 3.78Å; F589-L593 HydrophobicContact CD1-CG 4.32Å; F589-L593 HydrophobicContact CE1-CD1 3.52Å; F589-L593 HydrophobicContact CE1-CD2 4.46Å; F589-L593 HydrophobicContact CE1-CG 4.1Å; F589-L593 HydrophobicContact CZ-CD1 4.19Å; F589-L593 HydrophobicContact CZ-CD2 4.32Å; F589-L593 HydrophobicContact CZ-CG 4.34Å; F589-L593 PolarHBondContact O-N 3.24Å; F589-L598 HydrophobicContact CD2-CD1 3.97Å; F589-L598 HydrophobicContact CE2-CD1 3.55Å; F589-L598 HydrophobicContact CZ-CD1 4.2Å; F589-L601 HydrophobicContact CZ-CD1 4.22Å; F589-F614 AromaticContact CD1-CD1 3.63Å; F589-F614 HydrophobicContact CD1-CD1 3.63Å; F589-F614 HydrophobicContact CD1-CD2 4.12Å; F589-F614 AromaticContact CD1-CE1 3.59Å; F589-F614 HydrophobicContact CD1-CE1 3.59Å; F589-F614 HydrophobicContact CD1-CE2 4.09Å; F589-F614 AromaticContact CD1-CG 3.89Å; F589-F614 HydrophobicContact CD1-CG 3.89Å; F589-F614 AromaticContact CD1-CZ 3.84Å; F589-F614 HydrophobicContact CD1-CZ 3.84Å; F589-F614 HydrophobicContact CE1-CD1 4.19Å; F589-F614 AromaticContact CE1-CD2 3.87Å; F589-F614 HydrophobicContact CE1-CD2 3.87Å; F589-F614 AromaticContact CE1-CE1 3.97Å; F589-F614 HydrophobicContact CE1-CE1 3.97Å; F589-F614 AromaticContact CE1-CE2 3.65Å; F589-F614 HydrophobicContact CE1-CE2 3.65Å; F589-F614 HydrophobicContact CE1-CG 4.14Å; F589-F614 AromaticContact CE1-CZ 3.7Å; F589-F614 HydrophobicContact CE1-CZ 3.7Å
590	T	94.9	Very high	86.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-43.3	175.5	-56.3	0	0	0	0	112.1	V586 V587 R592 L593 L594 F614 I615 C618 L636	V586-T590 WeakPolarHBondContact O-CB 3.22Å; V586-T590 PolarHBondContact O-N 3.16Å; V586-T590 PolarHBondContact O-OG1 3.1Å; V587-T590 PolarHBondContact O-N 3.39Å; T590-R592 PolarHBondContact O-N 3.25Å; T590-L593 PolarHBondContact O-N 2.89Å; T590-L594 HydrophobicContact CG2-CD1 4.21Å; T590-L594 WeakPolarHBondContact O-CG 3.36Å; T590-L594 PolarHBondContact O-N 3.01Å; T590-F614 PolarHBondContact OG1-O 3.16Å; T590-I615 HydrophobicContact CG2-CG1 3.66Å; T590-C618 PolarHBondContact OG1-SG 3.05Å; T590-L636 HydrophobicContact CG2-CD1 4.1Å
591	L	93.3	Very high	85.4	Confident	31 Å²	31	41.7 Å²	41.7	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-40.2	176.4	-72.9	175	0	0	0	112.2	V587 Q588 F589 L594 N595 Y634 L636 A639	V587-L591 HydrophobicContact CG1-CD1 4.21Å; V587-L591 HydrophobicContact CG1-CG 4.38Å; V587-L591 WeakPolarHBondContact O-CG 3.34Å; V587-L591 PolarHBondContact O-N 3.49Å; Q588-L591 PolarHBondContact O-N 3.05Å; F589-L591 VanDerWaalsContact C-N 3.32Å; F589-L591 PolarHBondContact O-N 3.47Å; L591-L594 PolarHBondContact O-N 3.35Å; L591-N595 WeakPolarHBondContact O-CB 3.4Å; L591-N595 PolarHBondContact O-N 3.32Å; L591-N595 PolarHBondContact O-ND2 2.97Å; L591-Y634 HydrophobicContact CD1-CD1 4.13Å; L591-L636 HydrophobicContact CD2-CD1 4Å; L591-A639 HydrophobicContact CD2-CB 3.47Å; L591-A639 VanDerWaalsContact CD2-CB 3.47Å
592	R	90.1	Very high	83.7	Confident	94 Å²	94	42.1 Å²	42.1	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-66	-37.7	175.3	-70.6	-159.4	-170.5	174.7	7.9	112.4	L532 Q588 F589 T590 N595 K596 A597 L598	L532-R592 HydrophobicContact CD2-CG 4.33Å; L532-R592 VanDerWaalsContact O-CZ 3.31Å; L532-R592 PolarHBondContact O-NH1 2.97Å; L532-R592 PolarHBondContact O-NH2 2.97Å; L532-R592 VanDerWaalsContact O-NH2 3.15Å; Q588-R592 WeakPolarHBondContact O-CG 3.41Å; Q588-R592 PolarHBondContact O-N 3.16Å; F589-R592 PolarHBondContact O-N 3.12Å; F589-R592 VanDerWaalsContact O-N 3.12Å; T590-R592 PolarHBondContact O-N 3.25Å; R592-N595 PolarHBondContact O-N 3.09Å; R592-K596 PolarHBondContact O-N 3.32Å; R592-A597 HydrophobicContact CB-CB 4.33Å; R592-A597 PolarHBondContact O-N 3.45Å; R592-L598 HydrophobicContact CB-CD1 3.88Å; R592-L598 HydrophobicContact CB-CG 4.07Å
593	L	90.1	Very high	81.7	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-47.3	173.7	-70.4	174.3	0	0	0	111.6	F589 T590 N595 K596 L598 L601 L610 C611 F614	F589-L593 HydrophobicContact CD1-CD1 3.78Å; F589-L593 HydrophobicContact CD1-CG 4.32Å; F589-L593 HydrophobicContact CE1-CD1 3.52Å; F589-L593 HydrophobicContact CE1-CD2 4.46Å; F589-L593 HydrophobicContact CE1-CG 4.1Å; F589-L593 HydrophobicContact CZ-CD1 4.19Å; F589-L593 HydrophobicContact CZ-CD2 4.32Å; F589-L593 HydrophobicContact CZ-CG 4.34Å; F589-L593 PolarHBondContact O-N 3.24Å; T590-L593 PolarHBondContact O-N 2.89Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 PolarHBondContact O-N 3.02Å; L593-K596 PolarHBondContact O-N 3.22Å; L593-L598 HydrophobicContact CD2-CD1 3.83Å; L593-L598 HydrophobicContact CG-CD1 4.16Å; L593-L601 HydrophobicContact CD2-CD1 4.34Å; L593-L610 HydrophobicContact CD1-CG 4.17Å; L593-L610 HydrophobicContact CD2-CD2 4.11Å; L593-L610 HydrophobicContact CD2-CG 4.44Å; L593-C611 HydrophobicContact CB-CB 4.19Å; L593-F614 HydrophobicContact CD1-CB 4.15Å; L593-F614 HydrophobicContact CD1-CD2 4.18Å; L593-F614 HydrophobicContact CD1-CG 4.27Å
594	L	88.6	Confident	79.8	Confident	22 Å²	22	49.6 Å²	49.6	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-40.2	176.9	-79	167.5	0	0	0	112.4	T590 L591 K596 I615 L636 A639 I640 A643 M680	T590-L594 HydrophobicContact CG2-CD1 4.21Å; T590-L594 WeakPolarHBondContact O-CG 3.36Å; T590-L594 PolarHBondContact O-N 3.01Å; L591-L594 PolarHBondContact O-N 3.35Å; L594-K596 VanDerWaalsContact C-N 3.26Å; L594-K596 PolarHBondContact O-N 3.29Å; L594-I615 HydrophobicContact CD2-CD1 4Å; L594-L636 HydrophobicContact CD1-CD1 4.02Å; L594-A639 HydrophobicContact CD1-CB 3.99Å; L594-I640 HydrophobicContact CD1-CG1 3.91Å; L594-A643 HydrophobicContact CD2-CB 3.76Å; L594-M680 HydrophobicContact CD2-CE 3.86Å; L594-M680 HydrophobicContact CD2-SD 4.39Å
595	N	84.7	Confident	78	Confident	118 Å²	118	51.8 Å²	51.8	63%	0.631	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.8	179.3	-68.7	-30.2	0	0	0	113.9	L591 R592 L593 A597	L591-N595 WeakPolarHBondContact O-CB 3.4Å; L591-N595 PolarHBondContact O-N 3.32Å; L591-N595 PolarHBondContact O-ND2 2.97Å; R592-N595 PolarHBondContact O-N 3.09Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 PolarHBondContact O-N 3.02Å; N595-A597 HydrophobicContact CB-CB 4.37Å; N595-A597 PolarHBondContact O-N 3.32Å
596	K	77.7	Confident	76.6	Confident	150 Å²	150	53 Å²	53	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.2	-172.7	-56.1	-172.3	176.9	-168.5	0	113.1	R592 L593 L594 L598	R592-K596 PolarHBondContact O-N 3.32Å; L593-K596 PolarHBondContact O-N 3.22Å; L594-K596 VanDerWaalsContact C-N 3.26Å; L594-K596 PolarHBondContact O-N 3.29Å; K596-L598 PolarHBondContact O-N 3.43Å
597	A	67.1	Low	75.5	Confident	56 Å²	56	54.4 Å²	54.4	46%	0.463	33%	0.327	S	S	.	.			trans	-86	15.1	-176.8	0	0	0	0	0	113.3	R592 N595	R592-A597 HydrophobicContact CB-CB 4.33Å; R592-A597 PolarHBondContact O-N 3.45Å; N595-A597 HydrophobicContact CB-CB 4.37Å; N595-A597 PolarHBondContact O-N 3.32Å
598	L	72.9	Confident	75	Confident	10 Å²	10	57 Å²	57	5%	0.052	34%	0.339	C	S	.	.			trans	-123.8	82.8	179.4	-73.5	164.8	0	0	0	109.6	F589 R592 L593 K596 S600 L601 S602	F589-L598 HydrophobicContact CD2-CD1 3.97Å; F589-L598 HydrophobicContact CE2-CD1 3.55Å; F589-L598 HydrophobicContact CZ-CD1 4.2Å; R592-L598 HydrophobicContact CB-CD1 3.88Å; R592-L598 HydrophobicContact CB-CG 4.07Å; L593-L598 HydrophobicContact CD2-CD1 3.83Å; L593-L598 HydrophobicContact CG-CD1 4.16Å; K596-L598 PolarHBondContact O-N 3.43Å; L598-S600 PolarHBondContact O-N 2.84Å; L598-L601 HydrophobicContact CB-CD1 4.45Å; L598-L601 HydrophobicContact CD1-CD1 4.36Å; L598-L601 PolarHBondContact O-N 3.31Å; L598-L601 VanDerWaalsContact O-N 3.08Å; L598-S602 PolarHBondContact O-N 3.1Å; L598-S602 PolarHBondContact O-OG 3.17Å
599	P	61.4	Low	74.6	Confident	111 Å²	111	57.6 Å²	57.6	72%	0.721	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.2	-175.7	-23.9	33.4	0	0	0	113.4	L601 S602	P599-L601 PolarHBondContact O-N 3.34Å; P599-L601 VanDerWaalsContact O-N 3.13Å; P599-S602 WeakPolarHBondContact CA-OG 3.37Å; P599-S602 WeakPolarHBondContact O-CB 3.41Å; P599-S602 PolarHBondContact O-N 3Å; P599-S602 VanDerWaalsContact O-N 3.15Å
600	S	64.4	Low	74.4	Confident	92 Å²	92	57.6 Å²	57.6	64%	0.643	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-62	-17.3	178.3	53.5	0	0	0	0	114.6	L598	L598-S600 PolarHBondContact O-N 2.84Å
601	L	65.3	Low	74.2	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.094	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-118.9	10	-179.1	-61.5	171.5	0	0	0	112.2	L531 P542 L546 F589 L593 L598 P599 G603 L610	L531-L601 HydrophobicContact CD1-CD1 4.2Å; P542-L601 HydrophobicContact CB-CD2 3.81Å; L546-L601 HydrophobicContact CD1-CD1 4.06Å; L546-L601 HydrophobicContact CD1-CD2 4.32Å; F589-L601 HydrophobicContact CZ-CD1 4.22Å; L593-L601 HydrophobicContact CD2-CD1 4.34Å; L598-L601 HydrophobicContact CB-CD1 4.45Å; L598-L601 HydrophobicContact CD1-CD1 4.36Å; L598-L601 PolarHBondContact O-N 3.31Å; L598-L601 VanDerWaalsContact O-N 3.08Å; P599-L601 PolarHBondContact O-N 3.34Å; P599-L601 VanDerWaalsContact O-N 3.13Å; L601-G603 PolarHBondContact O-N 3.43Å; L601-L610 HydrophobicContact CD1-CD2 4.06Å
602	S	54.3	Low	74.2	Confident	62 Å²	62	57 Å²	57	43%	0.434	35%	0.348	S	S	.	.			trans	-92.1	13.4	-165.9	-67.9	0	0	0	0	115.4	L598 P599	L598-S602 PolarHBondContact O-N 3.1Å; L598-S602 PolarHBondContact O-OG 3.17Å; P599-S602 WeakPolarHBondContact CA-OG 3.37Å; P599-S602 WeakPolarHBondContact O-CB 3.41Å; P599-S602 PolarHBondContact O-N 3Å; P599-S602 VanDerWaalsContact O-N 3.15Å
603	G	52	Low	74.4	Confident	57 Å²	57	53.5 Å²	53.5	59%	0.588	34%	0.339	S	S	*	.	S	Bend	trans	-104.3	133.2	172	0	0	0	0	0	112.1	L601	L601-G603 PolarHBondContact O-N 3.43Å
604	S	54	Low	74.6	Confident	101 Å²	101	53 Å²	53	71%	0.706	34%	0.337	S	S	*	.	S	Bend	trans	80.9	164.4	167.8	-171	0	0	0	0	118.5	A606 S607	S604-A606 PolarHBondContact O-N 3.24Å; S604-A606 VanDerWaalsContact O-N 3.08Å; S604-S607 WeakPolarHBondContact O-CB 3.49Å; S604-S607 PolarHBondContact O-N 3.29Å
605	D	55.6	Low	75	Confident	83 Å²	83	52 Å²	52	44%	0.444	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-28.7	173.4	-76.1	-19.6	0	0	0	113.2	S607 Q608 T609 N672	D605-S607 PolarHBondContact O-N 2.91Å; D605-S607 VanDerWaalsContact O-N 3.12Å; D605-Q608 PolarHBondContact O-N 3.43Å; D605-Q608 VanDerWaalsContact O-N 3.12Å; D605-T609 PolarHBondContact O-N 2.94Å; D605-N672 PolarHBondContact OD2-ND2 3.23Å
606	A	62.9	Low	75.5	Confident	27 Å²	27	50.1 Å²	50.1	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-26.3	174.9	0	0	0	0	0	113.7	A543 S604 L610	A543-A606 HydrophobicContact CB-CB 4.17Å; S604-A606 PolarHBondContact O-N 3.24Å; S604-A606 VanDerWaalsContact O-N 3.08Å; A606-L610 WeakPolarHBondContact O-CB 3.36Å; A606-L610 PolarHBondContact O-N 3.46Å
607	S	74.6	Confident	76.4	Confident	28 Å²	28	43 Å²	43	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-37.3	177.8	-171.5	0	0	0	0	112.6	S604 D605 C611	S604-S607 WeakPolarHBondContact O-CB 3.49Å; S604-S607 PolarHBondContact O-N 3.29Å; D605-S607 PolarHBondContact O-N 2.91Å; D605-S607 VanDerWaalsContact O-N 3.12Å; S607-C611 VanDerWaalsContact O-CB 3.27Å; S607-C611 WeakPolarHBondContact O-CB 3.4Å; S607-C611 PolarHBondContact O-N 2.99Å
608	Q	83.6	Confident	77.9	Confident	54 Å²	54	40.3 Å²	40.3	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-72.1	-45.7	177.4	-69.4	-178.3	-3.3	0	0	111	D605 L610 C611 G612 W676	D605-Q608 PolarHBondContact O-N 3.43Å; D605-Q608 VanDerWaalsContact O-N 3.12Å; Q608-L610 VanDerWaalsContact C-N 3.32Å; Q608-L610 PolarHBondContact O-N 3.02Å; Q608-C611 PolarHBondContact O-N 3.5Å; Q608-G612 PolarHBondContact O-N 3.3Å; Q608-W676 HydrophobicContact CB-CD2 4.11Å; Q608-W676 HydrophobicContact CB-CE3 4.23Å; Q608-W676 HydrophobicContact CB-CZ2 4.44Å; Q608-W676 HydrophobicContact CG-CD2 4.3Å; Q608-W676 HydrophobicContact CG-CG 4.41Å; Q608-W676 VanDerWaalsContact O-CH2 3.26Å; Q608-W676 WeakPolarHBondContact O-CH2 3.27Å; Q608-W676 WeakPolarHBondContact O-CZ3 3.42Å
609	T	85.9	Confident	78.9	Confident	86 Å²	86	43.3 Å²	43.3	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-43.9	176.1	-50.5	0	0	0	0	111.6	I547 D605 G612 A613	I547-T609 HydrophobicContact CD1-CG2 3.82Å; D605-T609 PolarHBondContact O-N 2.94Å; T609-G612 PolarHBondContact O-N 3.05Å; T609-A613 PolarHBondContact O-N 3.03Å
610	L	89.4	Confident	80.6	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-47.4	175.5	174.6	60.6	0	0	0	112.1	L546 I547 L593 L601 A606 Q608 G612 A613 F614	L546-L610 HydrophobicContact CB-CD1 3.4Å; L546-L610 VanDerWaalsContact CB-CD1 3.4Å; L546-L610 HydrophobicContact CB-CD2 4.49Å; L546-L610 HydrophobicContact CD1-CD1 4.34Å; L546-L610 HydrophobicContact CD1-CD2 4.05Å; I547-L610 HydrophobicContact CD1-CB 4.45Å; I547-L610 HydrophobicContact CG1-CB 4.18Å; I547-L610 HydrophobicContact CG1-CD1 4.05Å; L593-L610 HydrophobicContact CD1-CG 4.17Å; L593-L610 HydrophobicContact CD2-CD2 4.11Å; L593-L610 HydrophobicContact CD2-CG 4.44Å; L601-L610 HydrophobicContact CD1-CD2 4.06Å; A606-L610 WeakPolarHBondContact O-CB 3.36Å; A606-L610 PolarHBondContact O-N 3.46Å; Q608-L610 VanDerWaalsContact C-N 3.32Å; Q608-L610 PolarHBondContact O-N 3.02Å; L610-G612 VanDerWaalsContact C-N 3.33Å; L610-G612 PolarHBondContact O-N 3.43Å; L610-A613 PolarHBondContact O-N 3.35Å; L610-F614 HydrophobicContact CD1-CD2 3.73Å; L610-F614 HydrophobicContact CD1-CE2 3.7Å; L610-F614 PolarHBondContact O-N 3.38Å; L610-F614 VanDerWaalsContact O-N 3.14Å
611	C	91.2	Very high	82	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-44.2	176.9	-172.4	0	0	0	0	111.2	L593 S607 Q608 A613 F614 I615 W676	L593-C611 HydrophobicContact CB-CB 4.19Å; S607-C611 VanDerWaalsContact O-CB 3.27Å; S607-C611 WeakPolarHBondContact O-CB 3.4Å; S607-C611 PolarHBondContact O-N 2.99Å; Q608-C611 PolarHBondContact O-N 3.5Å; C611-A613 VanDerWaalsContact C-N 3.35Å; C611-A613 PolarHBondContact O-N 3.05Å; C611-F614 PolarHBondContact O-N 3.15Å; C611-I615 VanDerWaalsContact O-CG1 3.27Å; C611-I615 WeakPolarHBondContact O-CG1 3.29Å; C611-I615 PolarHBondContact O-N 2.62Å; C611-W676 HydrophobicContact CB-CH2 3.64Å; C611-W676 HydrophobicContact CB-CZ2 4.08Å
612	G	91.7	Very high	83.4	Confident	12 Å²	12	33.8 Å²	33.8	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-42.6	175	0	0	0	0	0	113.1	Q608 T609 L610 F614 I615 F616	Q608-G612 PolarHBondContact O-N 3.3Å; T609-G612 PolarHBondContact O-N 3.05Å; L610-G612 VanDerWaalsContact C-N 3.33Å; L610-G612 PolarHBondContact O-N 3.43Å; G612-F614 PolarHBondContact O-N 3.23Å; G612-I615 PolarHBondContact O-N 3.19Å; G612-F616 WeakPolarHBondContact O-CB 3.49Å; G612-F616 PolarHBondContact O-N 3.01Å
613	A	94.2	Very high	85.3	Confident	21 Å²	21	32.9 Å²	32.9	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-43.4	177.7	0	0	0	0	0	111.9	I547 A550 T609 L610 C611 F616 V617	I547-A613 HydrophobicContact CG1-CB 4.44Å; I547-A613 HydrophobicContact CG2-CB 4.5Å; A550-A613 HydrophobicContact CB-CB 3.71Å; T609-A613 PolarHBondContact O-N 3.03Å; L610-A613 PolarHBondContact O-N 3.35Å; C611-A613 VanDerWaalsContact C-N 3.35Å; C611-A613 PolarHBondContact O-N 3.05Å; A613-F616 WeakPolarHBondContact O-CB 3.41Å; A613-F616 PolarHBondContact O-N 3.17Å; A613-V617 WeakPolarHBondContact O-CG2 3.37Å; A613-V617 PolarHBondContact O-N 2.91Å; A613-V617 VanDerWaalsContact O-N 3.1Å
614	F	96.1	Very high	87.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.3	-32.6	178	-88.6	-88.5	0	0	0	113.7	V528 L546 A550 V586 F589 T590 L593 L610 C611 G612 F616 V617 C618	V528-F614 HydrophobicContact CG1-CE1 4.5Å; V528-F614 HydrophobicContact CG2-CE1 4.12Å; V528-F614 HydrophobicContact CG2-CZ 3.84Å; L546-F614 HydrophobicContact CB-CE2 4.12Å; L546-F614 HydrophobicContact CD2-CZ 4.44Å; L546-F614 WeakPolarHBondContact O-CE2 3.24Å; A550-F614 HydrophobicContact CB-CD2 3.83Å; A550-F614 HydrophobicContact CB-CE2 3.75Å; A550-F614 HydrophobicContact CB-CG 4.3Å; A550-F614 HydrophobicContact CB-CZ 4.17Å; V586-F614 HydrophobicContact CG1-CD1 4.21Å; F589-F614 AromaticContact CD1-CD1 3.63Å; F589-F614 HydrophobicContact CD1-CD1 3.63Å; F589-F614 HydrophobicContact CD1-CD2 4.12Å; F589-F614 AromaticContact CD1-CE1 3.59Å; F589-F614 HydrophobicContact CD1-CE1 3.59Å; F589-F614 HydrophobicContact CD1-CE2 4.09Å; F589-F614 AromaticContact CD1-CG 3.89Å; F589-F614 HydrophobicContact CD1-CG 3.89Å; F589-F614 AromaticContact CD1-CZ 3.84Å; F589-F614 HydrophobicContact CD1-CZ 3.84Å; F589-F614 HydrophobicContact CE1-CD1 4.19Å; F589-F614 AromaticContact CE1-CD2 3.87Å; F589-F614 HydrophobicContact CE1-CD2 3.87Å; F589-F614 AromaticContact CE1-CE1 3.97Å; F589-F614 HydrophobicContact CE1-CE1 3.97Å; F589-F614 AromaticContact CE1-CE2 3.65Å; F589-F614 HydrophobicContact CE1-CE2 3.65Å; F589-F614 HydrophobicContact CE1-CG 4.14Å; F589-F614 AromaticContact CE1-CZ 3.7Å; F589-F614 HydrophobicContact CE1-CZ 3.7Å; T590-F614 PolarHBondContact OG1-O 3.16Å; L593-F614 HydrophobicContact CD1-CB 4.15Å; L593-F614 HydrophobicContact CD1-CD2 4.18Å; L593-F614 HydrophobicContact CD1-CG 4.27Å; L610-F614 HydrophobicContact CD1-CD2 3.73Å; L610-F614 HydrophobicContact CD1-CE2 3.7Å; L610-F614 PolarHBondContact O-N 3.38Å; L610-F614 VanDerWaalsContact O-N 3.14Å; C611-F614 PolarHBondContact O-N 3.15Å; G612-F614 PolarHBondContact O-N 3.23Å; F614-F616 PolarHBondContact O-N 2.92Å; F614-V617 PolarHBondContact O-N 3.49Å; F614-C618 PolarHBondContact O-N 2.92Å; F614-C618 PolarHBondContact O-SG 3.23Å
615	I	95.6	Very high	89.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-40.2	167.5	-68.5	166.4	0	0	0	110	T590 L594 C611 G612 V617 C618 R619 I640 W676 M680 S683	T590-I615 HydrophobicContact CG2-CG1 3.66Å; L594-I615 HydrophobicContact CD2-CD1 4Å; C611-I615 VanDerWaalsContact O-CG1 3.27Å; C611-I615 WeakPolarHBondContact O-CG1 3.29Å; C611-I615 PolarHBondContact O-N 2.62Å; G612-I615 PolarHBondContact O-N 3.19Å; I615-V617 PolarHBondContact O-N 3.38Å; I615-C618 WeakPolarHBondContact O-CB 3.39Å; I615-C618 PolarHBondContact O-N 3.08Å; I615-R619 WeakPolarHBondContact O-CB 3.47Å; I615-R619 PolarHBondContact O-N 3.43Å; I615-I640 HydrophobicContact CG2-CD1 4.07Å; I615-W676 HydrophobicContact CD1-CH2 4.17Å; I615-M680 HydrophobicContact CD1-CE 3.4Å; I615-M680 VanDerWaalsContact CD1-CE 3.4Å; I615-M680 HydrophobicContact CD1-SD 4Å; I615-S683 VanDerWaalsContact CG2-OG 3.23Å; I615-S683 WeakPolarHBondContact CG2-OG 3.49Å
616	F	96.1	Very high	90.9	Very high	78 Å²	78	31.4 Å²	31.4	34%	0.342	18%	0.177	S	C	.	.	H	α-helix	trans	-64.3	-36.5	176.7	-176.7	-107	0	0	0	112.8	A554 G612 A613 F614 R619 Q620	A554-F616 HydrophobicContact CB-CD1 3.54Å; A554-F616 HydrophobicContact CB-CE1 3.62Å; G612-F616 WeakPolarHBondContact O-CB 3.49Å; G612-F616 PolarHBondContact O-N 3.01Å; A613-F616 WeakPolarHBondContact O-CB 3.41Å; A613-F616 PolarHBondContact O-N 3.17Å; F614-F616 PolarHBondContact O-N 2.92Å; F616-R619 WeakPolarHBondContact O-CB 3.39Å; F616-R619 PolarHBondContact O-N 3.45Å; F616-Q620 WeakPolarHBondContact O-CG 3.41Å; F616-Q620 PolarHBondContact O-N 3.48Å; F616-Q620 PolarHBondContact O-NE2 2.94Å
617	V	97.3	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-48	169.9	-172.8	0	0	0	0	110.6	A550 L553 A554 F566 V586 A613 F614 I615 R619 Q620	A550-V617 HydrophobicContact CB-CG2 3.84Å; A550-V617 WeakPolarHBondContact O-CG2 3.5Å; L553-V617 HydrophobicContact CB-CG1 3.95Å; L553-V617 HydrophobicContact CB-CG2 4.16Å; A554-V617 HydrophobicContact CB-CG2 4.08Å; F566-V617 HydrophobicContact CE1-CG1 4.43Å; V586-V617 HydrophobicContact CG1-CB 3.96Å; V586-V617 HydrophobicContact CG1-CG1 3.69Å; V586-V617 HydrophobicContact CG2-CG1 4.46Å; A613-V617 WeakPolarHBondContact O-CG2 3.37Å; A613-V617 PolarHBondContact O-N 2.91Å; A613-V617 VanDerWaalsContact O-N 3.1Å; F614-V617 PolarHBondContact O-N 3.49Å; I615-V617 PolarHBondContact O-N 3.38Å; V617-R619 PolarHBondContact O-N 3.44Å; V617-Q620 PolarHBondContact O-N 3.34Å; V617-Q620 VanDerWaalsContact O-N 3.15Å
618	C	97.1	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-39.1	178.6	-62.6	0	0	0	0	112	T590 F614 I615 Q620 M621 Y622 L636	T590-C618 PolarHBondContact OG1-SG 3.05Å; F614-C618 PolarHBondContact O-N 2.92Å; F614-C618 PolarHBondContact O-SG 3.23Å; I615-C618 WeakPolarHBondContact O-CB 3.39Å; I615-C618 PolarHBondContact O-N 3.08Å; C618-Q620 VanDerWaalsContact C-N 3.33Å; C618-Q620 PolarHBondContact O-N 3.43Å; C618-M621 HydrophobicContact CB-CE 4.5Å; C618-M621 WeakPolarHBondContact O-CB 3.31Å; C618-M621 PolarHBondContact O-N 3.44Å; C618-M621 VanDerWaalsContact O-N 3.07Å; C618-Y622 HydrophobicContact CB-CD1 4.16Å; C618-Y622 HydrophobicContact CB-CE1 4.13Å; C618-Y622 WeakPolarHBondContact O-CD1 3.28Å; C618-Y622 PolarHBondContact O-N 3.42Å; C618-L636 HydrophobicContact CB-CD2 3.56Å
619	R	95.4	Very high	93.6	Very high	73 Å²	73	32.6 Å²	32.6	28%	0.275	18%	0.175	S	C	.	.	H	α-helix	trans	-58.2	-41.8	177	178.9	-173.4	170.2	-167.8	0.6	112.8	I615 F616 V617 M621 Y622 N623 N686	I615-R619 WeakPolarHBondContact O-CB 3.47Å; I615-R619 PolarHBondContact O-N 3.43Å; F616-R619 WeakPolarHBondContact O-CB 3.39Å; F616-R619 PolarHBondContact O-N 3.45Å; V617-R619 PolarHBondContact O-N 3.44Å; R619-M621 PolarHBondContact O-N 3.38Å; R619-Y622 VanDerWaalsContact CA-CZ 3.41Å; R619-Y622 HydrophobicContact CB-CE1 3.88Å; R619-Y622 HydrophobicContact CB-CE2 4.27Å; R619-Y622 HydrophobicContact CG-CE2 4.15Å; R619-Y622 VanDerWaalsContact N-CE1 3.33Å; R619-Y622 PolarHBondContact O-N 3.45Å; R619-N623 VanDerWaalsContact O-CB 3.24Å; R619-N623 WeakPolarHBondContact O-CB 3.28Å; R619-N623 PolarHBondContact O-N 2.9Å; R619-N623 PolarHBondContact O-ND2 3.35Å; R619-N623 PolarHBondContact O-OD1 3.11Å; R619-N686 HydrophobicContact CG-CB 3.98Å; R619-N686 VanDerWaalsContact CZ-CG 3.41Å; R619-N686 PolarHBondContact NE-ND2 2.97Å; R619-N686 PolarHBondContact NE-OD1 2.87Å; R619-N686 PolarHBondContact NH2-ND2 3.32Å; R619-N686 VanDerWaalsContact NH2-ND2 3.18Å; R619-N686 PolarHBondContact NH2-OD1 3.45Å
620	Q	95.3	Very high	93.9	Very high	20 Å²	20	30.2 Å²	30.2	9%	0.093	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-33.2	177.1	-54.1	-46.9	-45.6	0	0	111.7	A554 A557 N558 F616 V617 C618	A554-Q620 HydrophobicContact CB-CG 4.05Å; A554-Q620 WeakPolarHBondContact O-CG 3.31Å; A557-Q620 HydrophobicContact CB-CB 3.92Å; N558-Q620 HydrophobicContact CB-CB 4.47Å; N558-Q620 HydrophobicContact CB-CG 4.33Å; N558-Q620 PolarHBondContact OD1-OE1 2.93Å; N558-Q620 VanDerWaalsContact OD1-OE1 3.13Å; F616-Q620 WeakPolarHBondContact O-CG 3.41Å; F616-Q620 PolarHBondContact O-N 3.48Å; F616-Q620 PolarHBondContact O-NE2 2.94Å; V617-Q620 PolarHBondContact O-N 3.34Å; V617-Q620 VanDerWaalsContact O-N 3.15Å; C618-Q620 VanDerWaalsContact C-N 3.33Å; C618-Q620 PolarHBondContact O-N 3.43Å
621	M	95.4	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-78.9	-53.6	177.7	-59.1	-176.5	-75.7	0	0	112.6	A557 L563 F566 A583 V586 V587 C618 R619 N623 T624 G627 L631	A557-M621 HydrophobicContact CB-CG 4.23Å; L563-M621 HydrophobicContact CD1-CB 4.04Å; L563-M621 HydrophobicContact CD1-CG 3.82Å; F566-M621 HydrophobicContact CB-SD 4.15Å; F566-M621 HydrophobicContact CD1-SD 3.71Å; F566-M621 HydrophobicContact CG-SD 4.32Å; A583-M621 HydrophobicContact CB-CE 4.41Å; A583-M621 HydrophobicContact CB-SD 3.55Å; A583-M621 VanDerWaalsContact CB-SD 3.55Å; V586-M621 HydrophobicContact CB-CE 4.2Å; V586-M621 HydrophobicContact CG1-CE 3.95Å; V587-M621 HydrophobicContact CG2-CE 4.21Å; C618-M621 HydrophobicContact CB-CE 4.5Å; C618-M621 WeakPolarHBondContact O-CB 3.31Å; C618-M621 PolarHBondContact O-N 3.44Å; C618-M621 VanDerWaalsContact O-N 3.07Å; R619-M621 PolarHBondContact O-N 3.38Å; M621-N623 PolarHBondContact O-N 3.01Å; M621-T624 PolarHBondContact O-N 3.1Å; M621-T624 PolarHBondContact O-OG1 2.94Å; M621-G627 WeakPolarHBondContact O-CA 3.35Å; M621-L631 HydrophobicContact CB-CD1 3.63Å; M621-L631 HydrophobicContact CE-CD1 3.98Å; M621-L631 HydrophobicContact SD-CD1 4.35Å
622	Y	94.6	Very high	94.1	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-74.7	-8.6	-174.2	70.5	-116.8	0	0	0	114.5	C618 R619 T624 L636 S683 N686 F687	C618-Y622 HydrophobicContact CB-CD1 4.16Å; C618-Y622 HydrophobicContact CB-CE1 4.13Å; C618-Y622 WeakPolarHBondContact O-CD1 3.28Å; C618-Y622 PolarHBondContact O-N 3.42Å; R619-Y622 VanDerWaalsContact CA-CZ 3.41Å; R619-Y622 HydrophobicContact CB-CE1 3.88Å; R619-Y622 HydrophobicContact CB-CE2 4.27Å; R619-Y622 HydrophobicContact CG-CE2 4.15Å; R619-Y622 VanDerWaalsContact N-CE1 3.33Å; R619-Y622 PolarHBondContact O-N 3.45Å; Y622-T624 PolarHBondContact O-N 3.01Å; Y622-L636 HydrophobicContact CD1-CD2 3.96Å; Y622-L636 HydrophobicContact CE1-CD2 4.01Å; Y622-S683 PolarHBondContact OH-O 2.97Å; Y622-N686 HydrophobicContact CE2-CB 3.79Å; Y622-F687 HydrophobicContact CD1-CE1 4.28Å; Y622-F687 HydrophobicContact CD1-CE2 4.21Å; Y622-F687 AromaticContact CD1-CZ 3.8Å; Y622-F687 HydrophobicContact CD1-CZ 3.8Å; Y622-F687 HydrophobicContact CD2-CD1 4.08Å; Y622-F687 HydrophobicContact CD2-CD2 4.16Å; Y622-F687 HydrophobicContact CD2-CE1 4.03Å; Y622-F687 HydrophobicContact CD2-CE2 4.11Å; Y622-F687 HydrophobicContact CD2-CG 4.14Å; Y622-F687 HydrophobicContact CD2-CZ 4.04Å; Y622-F687 AromaticContact CE1-CE2 3.83Å; Y622-F687 HydrophobicContact CE1-CE2 3.83Å; Y622-F687 AromaticContact CE1-CZ 3.87Å; Y622-F687 HydrophobicContact CE1-CZ 3.87Å; Y622-F687 HydrophobicContact CE2-CD1 4.45Å; Y622-F687 AromaticContact CE2-CD2 3.71Å; Y622-F687 HydrophobicContact CE2-CD2 3.71Å; Y622-F687 HydrophobicContact CE2-CE1 4.46Å; Y622-F687 AromaticContact CE2-CE2 3.73Å; Y622-F687 HydrophobicContact CE2-CE2 3.73Å; Y622-F687 HydrophobicContact CE2-CG 4.09Å; Y622-F687 HydrophobicContact CE2-CZ 4.12Å; Y622-F687 HydrophobicContact CG-CD1 4.44Å; Y622-F687 AromaticContact CG-CE1 3.96Å; Y622-F687 HydrophobicContact CG-CE1 3.96Å; Y622-F687 HydrophobicContact CG-CE2 4.37Å; Y622-F687 AromaticContact CG-CZ 3.91Å; Y622-F687 HydrophobicContact CG-CZ 3.91Å; Y622-F687 AromaticContact CZ-CD2 3.98Å; Y622-F687 AromaticContact CZ-CE2 3.58Å
623	N	92.6	Very high	94.1	Very high	43 Å²	43	37.8 Å²	37.8	23%	0.23	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	170.4	-83.3	-5.5	0	0	0	113	R619 M621 N686	R619-N623 VanDerWaalsContact O-CB 3.24Å; R619-N623 WeakPolarHBondContact O-CB 3.28Å; R619-N623 PolarHBondContact O-N 2.9Å; R619-N623 PolarHBondContact O-ND2 3.35Å; R619-N623 PolarHBondContact O-OD1 3.11Å; M621-N623 PolarHBondContact O-N 3.01Å; N623-N686 WeakPolarHBondContact OD1-CB 3.25Å; N623-N686 PolarHBondContact OD1-O 3.48Å
624	T	93.2	Very high	94	Very high	45 Å²	45	39.3 Å²	39.3	28%	0.276	20%	0.202	S	C	.	.	S	Bend	trans	-102.7	151.2	176.3	69.1	0	0	0	0	110.7	L563 M621 Y622 E626 G627 L628	L563-T624 HydrophobicContact CD2-CG2 3.67Å; M621-T624 PolarHBondContact O-N 3.1Å; M621-T624 PolarHBondContact O-OG1 2.94Å; Y622-T624 PolarHBondContact O-N 3.01Å; T624-E626 VanDerWaalsContact C-N 3.3Å; T624-E626 PolarHBondContact O-N 3.24Å; T624-G627 PolarHBondContact OG1-N 3.34Å; T624-L628 VanDerWaalsContact O-CB 3.26Å; T624-L628 WeakPolarHBondContact O-CB 3.47Å; T624-L628 PolarHBondContact O-N 2.98Å
625	C	93.3	Very high	93.9	Very high	87 Å²	87	40.1 Å²	40.1	59%	0.588	21%	0.21	S	C	*	.	H	α-helix	trans	-60.2	-42.1	177.1	-69.7	0	0	0	0	112.1	Q629	C625-Q629 WeakPolarHBondContact O-CB 3.4Å; C625-Q629 PolarHBondContact O-N 3.08Å
626	E	92.6	Very high	93.9	Very high	79 Å²	79	40.3 Å²	40.3	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-51.3	-179.4	-174.1	-175.7	-124.5	0	0	111.5	L567 Y568 T624 L628 Q629 V630	L567-E626 HydrophobicContact CD1-CB 4.45Å; L567-E626 HydrophobicContact CD1-CG 3.85Å; Y568-E626 HydrophobicContact CE2-CG 4.47Å; Y568-E626 VanDerWaalsContact CE2-OE1 3.25Å; Y568-E626 WeakPolarHBondContact CE2-OE1 3.47Å; Y568-E626 WeakPolarHBondContact OH-CG 3.43Å; Y568-E626 PolarHBondContact OH-OE1 3.41Å; T624-E626 VanDerWaalsContact C-N 3.3Å; T624-E626 PolarHBondContact O-N 3.24Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 3.47Å; E626-Q629 WeakPolarHBondContact O-CB 3.27Å; E626-Q629 PolarHBondContact O-N 2.98Å; E626-Q629 VanDerWaalsContact O-N 3.17Å; E626-V630 PolarHBondContact O-N 3.3Å; E626-V630 VanDerWaalsContact O-N 3.15Å
627	G	93.2	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-39	176.6	0	0	0	0	0	112.2	M621 T624 Q629 V630 L631	M621-G627 WeakPolarHBondContact O-CA 3.35Å; T624-G627 PolarHBondContact OG1-N 3.34Å; G627-Q629 VanDerWaalsContact C-N 3.34Å; G627-Q629 PolarHBondContact O-N 3.05Å; G627-V630 PolarHBondContact O-N 2.95Å; G627-L631 WeakPolarHBondContact O-CB 3.46Å; G627-L631 VanDerWaalsContact O-CG 3.28Å; G627-L631 WeakPolarHBondContact O-CG 3.35Å; G627-L631 PolarHBondContact O-N 2.91Å
628	L	94.1	Very high	93.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-41	174.6	-177.3	65.8	0	0	0	111.9	T624 E626 V630 L631 Q632 F687 T690 R692 G693 L696	T624-L628 VanDerWaalsContact O-CB 3.26Å; T624-L628 WeakPolarHBondContact O-CB 3.47Å; T624-L628 PolarHBondContact O-N 2.98Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 3.47Å; L628-V630 VanDerWaalsContact C-N 3.3Å; L628-V630 PolarHBondContact O-N 3.43Å; L628-L631 PolarHBondContact O-N 3.29Å; L628-Q632 VanDerWaalsContact O-CB 3.27Å; L628-Q632 WeakPolarHBondContact O-CB 3.49Å; L628-Q632 PolarHBondContact O-N 3.43Å; L628-F687 HydrophobicContact CD1-CD1 3.75Å; L628-F687 HydrophobicContact CD1-CE1 3.71Å; L628-T690 WeakPolarHBondContact CD2-OG1 3.45Å; L628-R692 HydrophobicContact CD2-CB 4.17Å; L628-G693 VanDerWaalsContact CD2-CA 3.47Å; L628-G693 VanDerWaalsContact CD2-N 3.31Å; L628-L696 HydrophobicContact CD1-CD1 3.98Å; L628-L696 HydrophobicContact CD2-CD1 4.33Å; L628-L696 HydrophobicContact CG-CD1 4.44Å
629	Q	92.5	Very high	93.5	Very high	132 Å²	132	43.7 Å²	43.7	62%	0.617	23%	0.229	S	C	*	.	H	α-helix	trans	-59.4	-42.1	177.4	178.1	176.7	-10.5	0	0	111.7	C625 E626 G627	C625-Q629 WeakPolarHBondContact O-CB 3.4Å; C625-Q629 PolarHBondContact O-N 3.08Å; E626-Q629 WeakPolarHBondContact O-CB 3.27Å; E626-Q629 PolarHBondContact O-N 2.98Å; E626-Q629 VanDerWaalsContact O-N 3.17Å; G627-Q629 VanDerWaalsContact C-N 3.34Å; G627-Q629 PolarHBondContact O-N 3.05Å
630	V	91.8	Very high	93.5	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.218	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-43.3	176.8	176.9	0	0	0	0	111.3	L567 E626 G627 L628	L567-V630 HydrophobicContact CD2-CB 4.03Å; L567-V630 HydrophobicContact CD2-CG1 4.1Å; L567-V630 HydrophobicContact CD2-CG2 4.11Å; E626-V630 PolarHBondContact O-N 3.3Å; E626-V630 VanDerWaalsContact O-N 3.15Å; G627-V630 PolarHBondContact O-N 2.95Å; L628-V630 VanDerWaalsContact C-N 3.3Å; L628-V630 PolarHBondContact O-N 3.43Å
631	L	92.8	Very high	93.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-85.4	-13.6	-172.3	-62.7	-175	0	0	0	114.8	A583 V587 M621 G627 L628 T633 Y634	A583-L631 HydrophobicContact CB-CD2 4.06Å; V587-L631 HydrophobicContact CB-CD2 4.27Å; V587-L631 HydrophobicContact CG2-CD1 3.83Å; V587-L631 HydrophobicContact CG2-CD2 3.44Å; V587-L631 VanDerWaalsContact CG2-CD2 3.44Å; V587-L631 HydrophobicContact CG2-CG 4.14Å; M621-L631 HydrophobicContact CB-CD1 3.63Å; M621-L631 HydrophobicContact CE-CD1 3.98Å; M621-L631 HydrophobicContact SD-CD1 4.35Å; G627-L631 WeakPolarHBondContact O-CB 3.46Å; G627-L631 VanDerWaalsContact O-CG 3.28Å; G627-L631 WeakPolarHBondContact O-CG 3.35Å; G627-L631 PolarHBondContact O-N 2.91Å; L628-L631 PolarHBondContact O-N 3.29Å; L631-T633 VanDerWaalsContact C-N 3.25Å; L631-T633 PolarHBondContact O-N 2.97Å; L631-Y634 WeakPolarHBondContact O-CB 3.39Å; L631-Y634 PolarHBondContact O-N 3.36Å
632	Q	90.5	Very high	93.2	Very high	51 Å²	51	42.3 Å²	42.3	24%	0.238	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-57	-37.4	-173.6	-179.7	-179	3.2	0	0	113.4	L628 Y634 G635 R692 L696	L628-Q632 VanDerWaalsContact O-CB 3.27Å; L628-Q632 WeakPolarHBondContact O-CB 3.49Å; L628-Q632 PolarHBondContact O-N 3.43Å; Q632-Y634 PolarHBondContact O-N 3.14Å; Q632-Y634 VanDerWaalsContact O-N 3.16Å; Q632-G635 PolarHBondContact O-N 3.47Å; Q632-G635 VanDerWaalsContact O-N 3.09Å; Q632-R692 VanDerWaalsContact OE1-NE 3.15Å; Q632-R692 VanDerWaalsContact OE1-NH1 3.1Å; Q632-L696 HydrophobicContact CG-CD1 4.05Å; Q632-L696 HydrophobicContact CG-CD2 4.47Å
633	T	91.8	Very high	93	Very high	121 Å²	121	43.4 Å²	43.4	74%	0.742	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-60.9	-24.8	-176.5	55.4	0	0	0	0	113	L631 G635	L631-T633 VanDerWaalsContact C-N 3.25Å; L631-T633 PolarHBondContact O-N 2.97Å; T633-G635 VanDerWaalsContact C-N 3.32Å; T633-G635 PolarHBondContact O-N 3.03Å
634	Y	93.7	Very high	93	Very high	54 Å²	54	42 Å²	42	21%	0.212	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-79.2	-11.9	179.8	-69.5	-83	0	0	0	114.1	H584 V587 Q588 L591 L631 Q632 L636	H584-Y634 WeakPolarHBondContact CB-OH 3.45Å; H584-Y634 AromaticContact CD2-CZ 3.94Å; H584-Y634 PolarHBondContact CD2-OH 3.2Å; H584-Y634 VanDerWaalsContact CG-OH 3.27Å; V587-Y634 HydrophobicContact CB-CG 4.48Å; V587-Y634 HydrophobicContact CG1-CD1 3.89Å; V587-Y634 HydrophobicContact CG1-CD2 4.05Å; V587-Y634 HydrophobicContact CG1-CG 3.54Å; Q588-Y634 HydrophobicContact CG-CE1 3.86Å; L591-Y634 HydrophobicContact CD1-CD1 4.13Å; L631-Y634 WeakPolarHBondContact O-CB 3.39Å; L631-Y634 PolarHBondContact O-N 3.36Å; Q632-Y634 PolarHBondContact O-N 3.14Å; Q632-Y634 VanDerWaalsContact O-N 3.16Å; Y634-L636 VanDerWaalsContact C-N 3.27Å; Y634-L636 PolarHBondContact O-N 2.98Å
635	G	93.6	Very high	92.8	Very high	17 Å²	17	44.9 Å²	44.9	18%	0.175	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	29	178.1	0	0	0	0	0	114.3	Q632 T633 H637 K638 A639	Q632-G635 PolarHBondContact O-N 3.47Å; Q632-G635 VanDerWaalsContact O-N 3.09Å; T633-G635 VanDerWaalsContact C-N 3.32Å; T633-G635 PolarHBondContact O-N 3.03Å; G635-H637 VanDerWaalsContact C-N 3.28Å; G635-H637 PolarHBondContact O-N 3.34Å; G635-K638 WeakPolarHBondContact O-CA 3.37Å; G635-K638 WeakPolarHBondContact O-CB 3.3Å; G635-K638 PolarHBondContact O-N 3.06Å; G635-A639 PolarHBondContact O-N 3.31Å; G635-A639 VanDerWaalsContact O-N 3.14Å
636	L	94.3	Very high	92.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-54.7	-41	-175.4	-175.9	63.6	0	0	0	113	T590 L591 L594 C618 Y622 Y634 K638 A639 I640 F687	T590-L636 HydrophobicContact CG2-CD1 4.1Å; L591-L636 HydrophobicContact CD2-CD1 4Å; L594-L636 HydrophobicContact CD1-CD1 4.02Å; C618-L636 HydrophobicContact CB-CD2 3.56Å; Y622-L636 HydrophobicContact CD1-CD2 3.96Å; Y622-L636 HydrophobicContact CE1-CD2 4.01Å; Y634-L636 VanDerWaalsContact C-N 3.27Å; Y634-L636 PolarHBondContact O-N 2.98Å; L636-K638 VanDerWaalsContact C-N 3.29Å; L636-K638 PolarHBondContact O-N 3.06Å; L636-A639 PolarHBondContact O-N 2.94Å; L636-A639 VanDerWaalsContact O-N 3.17Å; L636-I640 HydrophobicContact CD1-CD1 4.1Å; L636-I640 HydrophobicContact CD1-CG1 4.17Å; L636-I640 HydrophobicContact CD2-CD1 4.33Å; L636-I640 HydrophobicContact CG-CD1 3.79Å; L636-I640 HydrophobicContact CG-CG1 4.27Å; L636-I640 WeakPolarHBondContact O-CG1 3.48Å; L636-I640 PolarHBondContact O-N 2.93Å; L636-F687 HydrophobicContact CB-CZ 4.36Å; L636-F687 HydrophobicContact CD2-CZ 4.43Å; L636-F687 HydrophobicContact CG-CZ 4.43Å
637	H	94.1	Very high	92.1	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-55.5	-40.2	174.1	58	-76	0	0	0	112.8	G635 A641 L684 F687 L696 T700	G635-H637 VanDerWaalsContact C-N 3.28Å; G635-H637 PolarHBondContact O-N 3.34Å; H637-A641 VanDerWaalsContact O-CB 3.29Å; H637-A641 WeakPolarHBondContact O-CB 3.49Å; H637-A641 PolarHBondContact O-N 2.97Å; H637-L684 WeakPolarHBondContact O-CD2 3.48Å; H637-F687 HydrophobicContact CB-CD1 4.24Å; H637-F687 HydrophobicContact CB-CD2 4.3Å; H637-F687 HydrophobicContact CB-CE1 3.96Å; H637-F687 HydrophobicContact CB-CE2 4.02Å; H637-F687 HydrophobicContact CB-CG 4.41Å; H637-F687 HydrophobicContact CB-CZ 3.84Å; H637-L696 PolarHBondContact CD2-O 3.39Å; H637-T700 HydrophobicContact CB-CG2 4.18Å
638	K	94.9	Very high	91.6	Very high	126 Å²	126	45.4 Å²	45.4	55%	0.548	24%	0.24	S	C	.	.	H	α-helix	trans	-70.1	-42	176.8	-62.1	178.3	-178.4	177.1	0	111.4	G635 L636 A641 A642	G635-K638 WeakPolarHBondContact O-CA 3.37Å; G635-K638 WeakPolarHBondContact O-CB 3.3Å; G635-K638 PolarHBondContact O-N 3.06Å; L636-K638 VanDerWaalsContact C-N 3.29Å; L636-K638 PolarHBondContact O-N 3.06Å; K638-A641 PolarHBondContact O-N 3.2Å; K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.23Å; K638-A642 PolarHBondContact O-N 3.02Å
639	A	94.5	Very high	91	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-45.2	179.3	0	0	0	0	0	111.9	L591 L594 G635 L636 A642 A643	L591-A639 HydrophobicContact CD2-CB 3.47Å; L591-A639 VanDerWaalsContact CD2-CB 3.47Å; L594-A639 HydrophobicContact CD1-CB 3.99Å; G635-A639 PolarHBondContact O-N 3.31Å; G635-A639 VanDerWaalsContact O-N 3.14Å; L636-A639 PolarHBondContact O-N 2.94Å; L636-A639 VanDerWaalsContact O-N 3.17Å; A639-A642 PolarHBondContact O-N 3.39Å; A639-A643 WeakPolarHBondContact O-CB 3.32Å; A639-A643 PolarHBondContact O-N 2.96Å
640	I	94.3	Very high	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-46.4	175.5	-66.4	174.1	0	0	0	110.2	L594 I615 L636 A642 A643 W644 M680 L684 F687	L594-I640 HydrophobicContact CD1-CG1 3.91Å; I615-I640 HydrophobicContact CG2-CD1 4.07Å; L636-I640 HydrophobicContact CD1-CD1 4.1Å; L636-I640 HydrophobicContact CD1-CG1 4.17Å; L636-I640 HydrophobicContact CD2-CD1 4.33Å; L636-I640 HydrophobicContact CG-CD1 3.79Å; L636-I640 HydrophobicContact CG-CG1 4.27Å; L636-I640 WeakPolarHBondContact O-CG1 3.48Å; L636-I640 PolarHBondContact O-N 2.93Å; I640-A642 PolarHBondContact O-N 3.26Å; I640-A643 PolarHBondContact O-N 2.88Å; I640-W644 WeakPolarHBondContact O-CB 3.32Å; I640-W644 PolarHBondContact O-N 3.36Å; I640-M680 HydrophobicContact CB-SD 4.47Å; I640-M680 HydrophobicContact CG2-CB 4.48Å; I640-M680 HydrophobicContact CG2-SD 3.61Å; I640-L684 HydrophobicContact CB-CD2 3.96Å; I640-L684 HydrophobicContact CB-CG 4.44Å; I640-L684 HydrophobicContact CG2-CD1 4.28Å; I640-L684 HydrophobicContact CG2-CD2 3.66Å; I640-L684 HydrophobicContact CG2-CG 3.59Å; I640-F687 HydrophobicContact CD1-CE2 4.32Å
641	A	93.6	Very high	88.8	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-38	178.1	0	0	0	0	0	113.1	H637 K638 W644 K645 L684 T700	H637-A641 VanDerWaalsContact O-CB 3.29Å; H637-A641 WeakPolarHBondContact O-CB 3.49Å; H637-A641 PolarHBondContact O-N 2.97Å; K638-A641 PolarHBondContact O-N 3.2Å; A641-W644 PolarHBondContact O-N 2.88Å; A641-K645 WeakPolarHBondContact O-CG 3.39Å; A641-K645 PolarHBondContact O-N 3.35Å; A641-L684 HydrophobicContact CB-CD1 4.2Å; A641-L684 HydrophobicContact CB-CD2 4.14Å; A641-T700 HydrophobicContact CB-CG2 3.84Å
642	A	92.2	Very high	87.4	Confident	60 Å²	60	52.1 Å²	52.1	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-42.1	174.9	0	0	0	0	0	111.7	K638 A639 I640 K645 K646	K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.23Å; K638-A642 PolarHBondContact O-N 3.02Å; A639-A642 PolarHBondContact O-N 3.39Å; I640-A642 PolarHBondContact O-N 3.26Å; A642-K645 PolarHBondContact O-N 3.21Å; A642-K646 WeakPolarHBondContact O-CB 3.45Å; A642-K646 PolarHBondContact O-N 2.92Å
643	A	90.2	Very high	85.9	Confident	23 Å²	23	59 Å²	59	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-42.6	175.1	0	0	0	0	0	111.8	L594 A639 I640 K646 M647	L594-A643 HydrophobicContact CD2-CB 3.76Å; A639-A643 WeakPolarHBondContact O-CB 3.32Å; A639-A643 PolarHBondContact O-N 2.96Å; I640-A643 PolarHBondContact O-N 2.88Å; A643-K646 PolarHBondContact O-N 3.17Å; A643-M647 WeakPolarHBondContact O-CB 3.46Å; A643-M647 PolarHBondContact O-N 3.47Å
644	W	91.3	Very high	84	Confident	15 Å²	15	57.3 Å²	57.3	6%	0.057	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-51.4	173.8	169.3	68.5	0	0	0	112.2	I640 A641 K646 M647 S648 E677 M680 L681 A702 E705	I640-W644 WeakPolarHBondContact O-CB 3.32Å; I640-W644 PolarHBondContact O-N 3.36Å; A641-W644 PolarHBondContact O-N 2.88Å; W644-K646 VanDerWaalsContact C-N 3.28Å; W644-K646 PolarHBondContact O-N 3.09Å; W644-M647 WeakPolarHBondContact O-CA 3.37Å; W644-M647 WeakPolarHBondContact O-CB 3.33Å; W644-M647 PolarHBondContact O-N 3.35Å; W644-S648 PolarHBondContact O-N 2.98Å; W644-E677 PolarHBondContact NE1-OE1 3.46Å; W644-M680 HydrophobicContact CB-CB 3.96Å; W644-M680 HydrophobicContact CB-CG 4.48Å; W644-M680 HydrophobicContact CG-CB 4.45Å; W644-L681 HydrophobicContact CD2-CD2 4.05Å; W644-L681 HydrophobicContact CG-CD2 4.31Å; W644-L681 HydrophobicContact CZ2-CD2 4.06Å; W644-A702 HydrophobicContact CE3-CB 4.06Å; W644-A702 HydrophobicContact CZ3-CB 3.78Å; W644-E705 HydrophobicContact CH2-CB 3.86Å; W644-E705 HydrophobicContact CH2-CG 3.54Å; W644-E705 HydrophobicContact CZ2-CB 3.81Å; W644-E705 HydrophobicContact CZ2-CG 3.76Å
645	K	90.4	Very high	81.8	Confident	105 Å²	105	59.5 Å²	59.5	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-56.9	-42.2	178	-73.7	177.8	-173.3	178.8	0	112	A641 A642 M647 S649 T700	A641-K645 WeakPolarHBondContact O-CG 3.39Å; A641-K645 PolarHBondContact O-N 3.35Å; A642-K645 PolarHBondContact O-N 3.21Å; K645-M647 VanDerWaalsContact C-N 3.33Å; K645-M647 PolarHBondContact O-N 3.3Å; K645-S649 WeakPolarHBondContact O-CB 3.46Å; K645-S649 PolarHBondContact O-N 3.08Å; K645-S649 PolarHBondContact O-OG 3.39Å; K645-T700 PolarHBondContact NZ-O 2.99Å
646	K	86.7	Confident	79.5	Confident	135 Å²	135	64.6 Å²	64.6	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-61.4	-43.2	175.3	-174	175.2	-178.5	173.5	0	111.3	A642 A643 W644 S649 L650	A642-K646 WeakPolarHBondContact O-CB 3.45Å; A642-K646 PolarHBondContact O-N 2.92Å; A643-K646 PolarHBondContact O-N 3.17Å; W644-K646 VanDerWaalsContact C-N 3.28Å; W644-K646 PolarHBondContact O-N 3.09Å; K646-S649 PolarHBondContact O-OG 2.87Å; K646-L650 WeakPolarHBondContact O-CD1 3.5Å; K646-L650 WeakPolarHBondContact O-CG 3.41Å; K646-L650 PolarHBondContact O-N 3.41Å
647	M	83.7	Confident	77.1	Confident	20 Å²	20	70.2 Å²	70.2	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-46	179.2	-166.9	63.8	-132.9	0	0	112.5	A643 W644 K645 S649 L650 S651 R673	A643-M647 WeakPolarHBondContact O-CB 3.46Å; A643-M647 PolarHBondContact O-N 3.47Å; W644-M647 WeakPolarHBondContact O-CA 3.37Å; W644-M647 WeakPolarHBondContact O-CB 3.33Å; W644-M647 PolarHBondContact O-N 3.35Å; K645-M647 VanDerWaalsContact C-N 3.33Å; K645-M647 PolarHBondContact O-N 3.3Å; M647-S649 PolarHBondContact O-N 2.69Å; M647-L650 WeakPolarHBondContact O-CB 3.46Å; M647-L650 PolarHBondContact O-N 2.93Å; M647-L650 VanDerWaalsContact O-N 3.1Å; M647-S651 PolarHBondContact O-N 3.45Å; M647-S651 VanDerWaalsContact O-N 3.16Å; M647-R673 HydrophobicContact CE-CB 3.57Å; M647-R673 HydrophobicContact CE-CG 3.31Å
648	S	83.3	Confident	75	Confident	22 Å²	22	75.3 Å²	75.3	15%	0.154	41%	0.406	C	S	.	.	H	α-helix	trans	-62.2	-43.2	179.9	-159.2	0	0	0	0	111.3	W644 L650 S651 E652 E677	W644-S648 PolarHBondContact O-N 2.98Å; S648-L650 PolarHBondContact O-N 3.5Å; S648-L650 VanDerWaalsContact O-N 3.16Å; S648-S651 WeakPolarHBondContact O-CA 3.34Å; S648-S651 WeakPolarHBondContact O-CB 3.2Å; S648-S651 PolarHBondContact O-N 3.44Å; S648-E652 PolarHBondContact O-N 2.97Å; S648-E677 WeakPolarHBondContact CB-OE1 3.29Å; S648-E677 PolarHBondContact OG-OE1 2.98Å
649	S	81.1	Confident	72.5	Confident	45 Å²	45	75.5 Å²	75.5	32%	0.315	42%	0.423	S	S	.	.	H	α-helix	trans	-61.9	-25.5	174.8	74.7	0	0	0	0	114.5	K645 K646 M647 R653	K645-S649 WeakPolarHBondContact O-CB 3.46Å; K645-S649 PolarHBondContact O-N 3.08Å; K645-S649 PolarHBondContact O-OG 3.39Å; K646-S649 PolarHBondContact O-OG 2.87Å; M647-S649 PolarHBondContact O-N 2.69Å; S649-R653 VanDerWaalsContact O-CG 3.31Å; S649-R653 WeakPolarHBondContact O-CG 3.48Å
650	L	73	Confident	70.3	Confident	78 Å²	78	78.5 Å²	78.5	41%	0.408	46%	0.455	S	S	.	.	H	α-helix	trans	-82.9	-21.9	175.3	-70.5	164.8	0	0	0	112.1	K646 M647 S648	K646-L650 WeakPolarHBondContact O-CD1 3.5Å; K646-L650 WeakPolarHBondContact O-CG 3.41Å; K646-L650 PolarHBondContact O-N 3.41Å; M647-L650 WeakPolarHBondContact O-CB 3.46Å; M647-L650 PolarHBondContact O-N 2.93Å; M647-L650 VanDerWaalsContact O-N 3.1Å; S648-L650 PolarHBondContact O-N 3.5Å; S648-L650 VanDerWaalsContact O-N 3.16Å
651	S	65.9	Low	67.8	Low	30 Å²	30	82.3 Å²	82.3	21%	0.21	48%	0.482	C	S	.	.	H	α-helix	trans	-81.6	-35.1	175	-161.8	0	0	0	0	111.7	M647 S648 R653 I654	M647-S651 PolarHBondContact O-N 3.45Å; M647-S651 VanDerWaalsContact O-N 3.16Å; S648-S651 WeakPolarHBondContact O-CA 3.34Å; S648-S651 WeakPolarHBondContact O-CB 3.2Å; S648-S651 PolarHBondContact O-N 3.44Å; S651-R653 VanDerWaalsContact C-N 3.32Å; S651-R653 PolarHBondContact O-N 2.91Å; S651-I654 VanDerWaalsContact O-CD1 3.31Å; S651-I654 WeakPolarHBondContact O-CD1 3.47Å; S651-I654 VanDerWaalsContact O-CG1 3.31Å; S651-I654 WeakPolarHBondContact O-CG1 3.35Å
652	E	63	Low	65.4	Low	162 Å²	162	88.5 Å²	88.5	76%	0.757	52%	0.524	S	S	*	.	H	α-helix	trans	-71.1	-24.2	174.9	-69.6	-177.8	163.8	0	0	113.4	S648 I654	S648-E652 PolarHBondContact O-N 2.97Å; E652-I654 VanDerWaalsContact C-N 3.25Å; E652-I654 PolarHBondContact O-N 3.47Å
653	R	58	Low	63.4	Low	194 Å²	194	91.8 Å²	91.8	73%	0.732	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	26.9	179.9	-74	-178.2	-170.8	-176.3	3.6	114.4	S649 S651 P655	S649-R653 VanDerWaalsContact O-CG 3.31Å; S649-R653 WeakPolarHBondContact O-CG 3.48Å; S651-R653 VanDerWaalsContact C-N 3.32Å; S651-R653 PolarHBondContact O-N 2.91Å; R653-P655 VanDerWaalsContact O-CD 3.23Å; R653-P655 WeakPolarHBondContact O-CD 3.24Å
654	I	52.1	Low	61.7	Low	86 Å²	86	93.7 Å²	93.7	44%	0.441	56%	0.559	S	S	.	*			trans	-71.9	113.5	170.1	-62	164.5	0	0	0	107.2	S651 E652 M670	S651-I654 VanDerWaalsContact O-CD1 3.31Å; S651-I654 WeakPolarHBondContact O-CD1 3.47Å; S651-I654 VanDerWaalsContact O-CG1 3.31Å; S651-I654 WeakPolarHBondContact O-CG1 3.35Å; E652-I654 VanDerWaalsContact C-N 3.25Å; E652-I654 PolarHBondContact O-N 3.47Å; I654-M670 HydrophobicContact CD1-SD 3.87Å
655	P	47.3	Very low	59.9	Low	101 Å²	101	95.8 Å²	95.8	66%	0.656	58%	0.575	S	S	*	*			trans	-67.3	143.3	179.9	-9.1	24.1	0	0	0	109.8	R653	R653-P655 VanDerWaalsContact O-CD 3.23Å; R653-P655 WeakPolarHBondContact O-CD 3.24Å
656	T	44.7	Very low	58.6	Low	123 Å²	123	93.4 Å²	93.4	76%	0.755	57%	0.571	S	S	*	*			trans	-49.6	126.8	162.4	-16.8	0	0	0	0	108.1	V658	T656-V658 PolarHBondContact O-N 2.86Å
657	P	44.8	Very low	57.5	Low	121 Å²	121	91.8 Å²	91.8	79%	0.786	57%	0.573	S	S	*	*			trans	-61.1	114.4	-175.8	22.9	-31.6	0	0	0	109.1
658	V	50.1	Low	56.4	Low	114 Å²	114	96.6 Å²	96.6	69%	0.691	60%	0.595	S	S	*	*			trans	-79.3	124.6	169.6	-172.2	0	0	0	0	106.6	T656 G660 S661	T656-V658 PolarHBondContact O-N 2.86Å; V658-G660 PolarHBondContact O-N 2.75Å; V658-S661 PolarHBondContact O-N 2.92Å
659	S	41.6	Very low	55.6	Low	130 Å²	130	99.2 Å²	99.2	91%	0.909	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	104.4	177.1	-61.2	0	0	0	0	110.5
660	G	48.3	Very low	55.1	Low	80 Å²	80	101 Å²	101	83%	0.825	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.6	-10.8	173.1	0	0	0	0	0	117.4	V658	V658-G660 PolarHBondContact O-N 2.75Å
661	S	42.8	Very low	55	Low	80 Å²	80	105 Å²	105	56%	0.559	62%	0.619	S	S	*	*			trans	-100	104.4	177	73.7	0	0	0	0	112.8	V658 T663	V658-S661 PolarHBondContact O-N 2.92Å; S661-T663 VanDerWaalsContact C-N 3.25Å; S661-T663 PolarHBondContact O-N 3.37Å
662	C	42.7	Very low	55.3	Low	135 Å²	135	105.5 Å²	105.5	91%	0.912	62%	0.62	S	S	*	*			trans	-79.3	61.1	173.4	-67.2	0	0	0	0	112.4
663	T	51	Low	56	Low	129 Å²	129	101.5 Å²	101.5	79%	0.791	60%	0.598	S	S	*	*			trans	-151.2	56.9	169.4	42.2	0	0	0	0	111.6	S661	S661-T663 VanDerWaalsContact C-N 3.25Å; S661-T663 PolarHBondContact O-N 3.37Å
664	G	53.3	Low	57.1	Low	63 Å²	63	95.8 Å²	95.8	65%	0.649	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-79.4	149.1	162	0	0	0	0	0	110.6
665	P	54.1	Low	58.5	Low	59 Å²	59	95.5 Å²	95.5	38%	0.383	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-58.7	140.5	173	24.9	-31.8	0	0	0	109.9	E669	P665-E669 HydrophobicContact CB-CB 4.37Å; P665-E669 WeakPolarHBondContact CB-OE2 3.49Å
666	S	62.5	Low	60.4	Low	54 Å²	54	92 Å²	92	38%	0.378	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-59.8	151.3	179.2	63.6	0	0	0	0	111.2	Q668 E669 M670	S666-Q668 PolarHBondContact O-N 3.27Å; S666-Q668 VanDerWaalsContact O-N 3.13Å; S666-E669 WeakPolarHBondContact O-CB 3.35Å; S666-E669 PolarHBondContact O-N 3.5Å; S666-E669 VanDerWaalsContact OG-CG 3.29Å; S666-E669 WeakPolarHBondContact OG-CG 3.45Å; S666-E669 PolarHBondContact OG-N 3.09Å; S666-E669 PolarHBondContact OG-OE1 2.99Å; S666-M670 PolarHBondContact O-N 3.47Å; S666-M670 VanDerWaalsContact O-N 3.17Å
667	T	63.8	Low	62.4	Low	101 Å²	101	87.6 Å²	87.6	62%	0.62	53%	0.528	S	S	*	.	H	α-helix	trans	-52.3	-37.6	176.6	-47.6	0	0	0	0	111.3	M670 W671	T667-M670 PolarHBondContact O-N 3.06Å; T667-W671 PolarHBondContact O-N 3.33Å; T667-W671 VanDerWaalsContact O-N 3.09Å
668	Q	62	Low	64.4	Low	121 Å²	121	85.4 Å²	85.4	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-43.1	176.8	-172.1	62.6	33.3	0	0	113	S666 M670 W671 N672	S666-Q668 PolarHBondContact O-N 3.27Å; S666-Q668 VanDerWaalsContact O-N 3.13Å; Q668-M670 VanDerWaalsContact C-N 3.31Å; Q668-M670 PolarHBondContact O-N 2.9Å; Q668-W671 PolarHBondContact O-N 3.44Å; Q668-N672 PolarHBondContact NE2-OD1 3.39Å; Q668-N672 VanDerWaalsContact NE2-OD1 3.14Å; Q668-N672 WeakPolarHBondContact O-CB 3.45Å; Q668-N672 VanDerWaalsContact O-CG 3.23Å; Q668-N672 PolarHBondContact O-N 3.23Å; Q668-N672 PolarHBondContact O-OD1 2.93Å
669	E	65.8	Low	66.1	Low	78 Å²	78	82.4 Å²	82.4	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-39.2	176	-78.1	164.3	-126.9	0	0	111.7	P665 S666 N672 R673	P665-E669 HydrophobicContact CB-CB 4.37Å; P665-E669 WeakPolarHBondContact CB-OE2 3.49Å; S666-E669 WeakPolarHBondContact O-CB 3.35Å; S666-E669 PolarHBondContact O-N 3.5Å; S666-E669 VanDerWaalsContact OG-CG 3.29Å; S666-E669 WeakPolarHBondContact OG-CG 3.45Å; S666-E669 PolarHBondContact OG-N 3.09Å; S666-E669 PolarHBondContact OG-OE1 2.99Å; E669-N672 PolarHBondContact O-N 3.48Å; E669-R673 WeakPolarHBondContact O-CG 3.41Å; E669-R673 PolarHBondContact O-N 2.96Å; E669-R673 IonicContact OE2-NH2 2.69Å
670	M	69.4	Low	68.5	Low	83 Å²	83	76.2 Å²	76.2	41%	0.409	45%	0.446	S	S	.	.	H	α-helix	trans	-66.2	-41	178.6	-163.9	157.6	68.4	0	0	111.6	I654 S666 T667 Q668 R673 L674	I654-M670 HydrophobicContact CD1-SD 3.87Å; S666-M670 PolarHBondContact O-N 3.47Å; S666-M670 VanDerWaalsContact O-N 3.17Å; T667-M670 PolarHBondContact O-N 3.06Å; Q668-M670 VanDerWaalsContact C-N 3.31Å; Q668-M670 PolarHBondContact O-N 2.9Å; M670-R673 PolarHBondContact O-N 2.98Å; M670-L674 WeakPolarHBondContact O-CG 3.38Å; M670-L674 PolarHBondContact O-N 3.18Å; M670-L674 VanDerWaalsContact O-N 3.12Å
671	W	71.2	Confident	70.5	Confident	160 Å²	160	73.1 Å²	73.1	61%	0.606	41%	0.41	S	S	*	.	H	α-helix	trans	-62	-45.7	171.6	-82.5	106.9	0	0	0	112.6	T667 Q668 R673 L674 V675	T667-W671 PolarHBondContact O-N 3.33Å; T667-W671 VanDerWaalsContact O-N 3.09Å; Q668-W671 PolarHBondContact O-N 3.44Å; W671-R673 VanDerWaalsContact C-N 3.29Å; W671-R673 PolarHBondContact O-N 2.93Å; W671-L674 PolarHBondContact O-N 2.99Å; W671-V675 WeakPolarHBondContact O-CG2 3.29Å; W671-V675 PolarHBondContact O-N 3.36Å
672	N	73.6	Confident	72.8	Confident	42 Å²	42	69.9 Å²	69.9	23%	0.225	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-39.5	177.9	-70.7	-7.7	0	0	0	111.6	D605 Q668 E669 W676	D605-N672 PolarHBondContact OD2-ND2 3.23Å; Q668-N672 PolarHBondContact NE2-OD1 3.39Å; Q668-N672 VanDerWaalsContact NE2-OD1 3.14Å; Q668-N672 WeakPolarHBondContact O-CB 3.45Å; Q668-N672 VanDerWaalsContact O-CG 3.23Å; Q668-N672 PolarHBondContact O-N 3.23Å; Q668-N672 PolarHBondContact O-OD1 2.93Å; E669-N672 PolarHBondContact O-N 3.48Å; N672-W676 WeakPolarHBondContact O-CB 3.36Å; N672-W676 PolarHBondContact O-N 3.43Å
673	R	77.4	Confident	75.1	Confident	78 Å²	78	63.9 Å²	63.9	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-44.3	175.8	-72.7	-177.5	-156.2	-149.1	6.8	112.5	M647 E669 M670 W671 W676 E677	M647-R673 HydrophobicContact CE-CB 3.57Å; M647-R673 HydrophobicContact CE-CG 3.31Å; E669-R673 WeakPolarHBondContact O-CG 3.41Å; E669-R673 PolarHBondContact O-N 2.96Å; E669-R673 IonicContact OE2-NH2 2.69Å; M670-R673 PolarHBondContact O-N 2.98Å; W671-R673 VanDerWaalsContact C-N 3.29Å; W671-R673 PolarHBondContact O-N 2.93Å; R673-W676 PolarHBondContact O-N 3.12Å; R673-E677 PolarHBondContact O-N 3.48Å
674	L	80.9	Confident	77.1	Confident	74 Å²	74	57.8 Å²	57.8	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.3	-72.1	170.6	0	0	0	111.6	M670 W671 W676 E677 E678	M670-L674 WeakPolarHBondContact O-CG 3.38Å; M670-L674 PolarHBondContact O-N 3.18Å; M670-L674 VanDerWaalsContact O-N 3.12Å; W671-L674 PolarHBondContact O-N 2.99Å; L674-W676 PolarHBondContact O-N 3.11Å; L674-E677 PolarHBondContact O-N 3.15Å; L674-E677 VanDerWaalsContact O-N 3.17Å; L674-E678 WeakPolarHBondContact O-CG 3.27Å; L674-E678 PolarHBondContact O-N 3.29Å
675	V	81.9	Confident	79	Confident	80 Å²	80	56.8 Å²	56.8	49%	0.485	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-38.5	176.9	171.9	0	0	0	0	111.2	W671 T679	W671-V675 WeakPolarHBondContact O-CG2 3.29Å; W671-V675 PolarHBondContact O-N 3.36Å; V675-T679 WeakPolarHBondContact O-CB 3.48Å; V675-T679 PolarHBondContact O-N 2.91Å; V675-T679 PolarHBondContact O-OG1 2.96Å
676	W	86.1	Confident	80.9	Confident	28 Å²	28	55.4 Å²	55.4	11%	0.106	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-41.2	176.4	-175.1	-126.2	0	0	0	113	Q608 C611 I615 N672 R673 L674 T679 M680	Q608-W676 HydrophobicContact CB-CD2 4.11Å; Q608-W676 HydrophobicContact CB-CE3 4.23Å; Q608-W676 HydrophobicContact CB-CZ2 4.44Å; Q608-W676 HydrophobicContact CG-CD2 4.3Å; Q608-W676 HydrophobicContact CG-CG 4.41Å; Q608-W676 VanDerWaalsContact O-CH2 3.26Å; Q608-W676 WeakPolarHBondContact O-CH2 3.27Å; Q608-W676 WeakPolarHBondContact O-CZ3 3.42Å; C611-W676 HydrophobicContact CB-CH2 3.64Å; C611-W676 HydrophobicContact CB-CZ2 4.08Å; I615-W676 HydrophobicContact CD1-CH2 4.17Å; N672-W676 WeakPolarHBondContact O-CB 3.36Å; N672-W676 PolarHBondContact O-N 3.43Å; R673-W676 PolarHBondContact O-N 3.12Å; L674-W676 PolarHBondContact O-N 3.11Å; W676-T679 HydrophobicContact CE3-CG2 4.24Å; W676-T679 HydrophobicContact CZ3-CG2 4.12Å; W676-T679 WeakPolarHBondContact O-CB 3.44Å; W676-T679 PolarHBondContact O-N 3.25Å; W676-M680 HydrophobicContact CD2-CE 4.11Å; W676-M680 HydrophobicContact CE3-CE 4.31Å; W676-M680 HydrophobicContact CH2-CE 3.16Å; W676-M680 HydrophobicContact CZ2-CE 2.91Å; W676-M680 HydrophobicContact CZ3-CE 3.87Å; W676-M680 WeakPolarHBondContact O-CG 3.35Å; W676-M680 PolarHBondContact O-N 3.22Å
677	E	86.3	Confident	82.4	Confident	30 Å²	30	53 Å²	53	14%	0.14	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-47.1	174.5	-169.3	173.4	-169.5	0	0	111.6	W644 S648 R673 L674 T679 M680 L681	W644-E677 PolarHBondContact NE1-OE1 3.46Å; S648-E677 WeakPolarHBondContact CB-OE1 3.29Å; S648-E677 PolarHBondContact OG-OE1 2.98Å; R673-E677 PolarHBondContact O-N 3.48Å; L674-E677 PolarHBondContact O-N 3.15Å; L674-E677 VanDerWaalsContact O-N 3.17Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.26Å; E677-M680 PolarHBondContact O-N 3.06Å; E677-L681 HydrophobicContact CG-CD1 4.45Å; E677-L681 PolarHBondContact O-N 3.45Å
678	E	86.6	Confident	83.8	Confident	74 Å²	74	50 Å²	50	35%	0.346	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-38.4	175	-69.4	-166.4	164.7	0	0	111.9	L674 M680 L681 G682 Y709 K716	L674-E678 WeakPolarHBondContact O-CG 3.27Å; L674-E678 PolarHBondContact O-N 3.29Å; E678-M680 VanDerWaalsContact C-N 3.34Å; E678-M680 PolarHBondContact O-N 2.99Å; E678-L681 PolarHBondContact O-N 2.7Å; E678-G682 PolarHBondContact O-N 2.9Å; E678-Y709 HydrophobicContact CB-CD2 4.5Å; E678-Y709 HydrophobicContact CB-CE2 3.63Å; E678-Y709 HydrophobicContact CG-CD2 4.15Å; E678-Y709 HydrophobicContact CG-CE2 3.5Å; E678-K716 IonicContact OE1-NZ 3.05Å
679	T	87.4	Confident	85.2	Confident	52 Å²	52	47.3 Å²	47.3	32%	0.319	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-40.7	176.2	-61	0	0	0	0	111.6	V675 W676 E677 S683	V675-T679 WeakPolarHBondContact O-CB 3.48Å; V675-T679 PolarHBondContact O-N 2.91Å; V675-T679 PolarHBondContact O-OG1 2.96Å; W676-T679 HydrophobicContact CE3-CG2 4.24Å; W676-T679 HydrophobicContact CZ3-CG2 4.12Å; W676-T679 WeakPolarHBondContact O-CB 3.44Å; W676-T679 PolarHBondContact O-N 3.25Å; E677-T679 VanDerWaalsContact C-N 3.3Å; E677-T679 PolarHBondContact O-N 3.26Å; T679-S683 WeakPolarHBondContact O-CB 3.37Å; T679-S683 PolarHBondContact O-N 3.07Å; T679-S683 PolarHBondContact O-OG 3.24Å
680	M	90.4	Very high	86.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-48	177.3	-71.4	-69.8	161.7	0	0	112.3	L594 I615 I640 W644 W676 E677 E678 G682 S683 L684	L594-M680 HydrophobicContact CD2-CE 3.86Å; L594-M680 HydrophobicContact CD2-SD 4.39Å; I615-M680 HydrophobicContact CD1-CE 3.4Å; I615-M680 VanDerWaalsContact CD1-CE 3.4Å; I615-M680 HydrophobicContact CD1-SD 4Å; I640-M680 HydrophobicContact CB-SD 4.47Å; I640-M680 HydrophobicContact CG2-CB 4.48Å; I640-M680 HydrophobicContact CG2-SD 3.61Å; W644-M680 HydrophobicContact CB-CB 3.96Å; W644-M680 HydrophobicContact CB-CG 4.48Å; W644-M680 HydrophobicContact CG-CB 4.45Å; W676-M680 HydrophobicContact CD2-CE 4.11Å; W676-M680 HydrophobicContact CE3-CE 4.31Å; W676-M680 HydrophobicContact CH2-CE 3.16Å; W676-M680 HydrophobicContact CZ2-CE 2.91Å; W676-M680 HydrophobicContact CZ3-CE 3.87Å; W676-M680 WeakPolarHBondContact O-CG 3.35Å; W676-M680 PolarHBondContact O-N 3.22Å; E677-M680 PolarHBondContact O-N 3.06Å; E678-M680 VanDerWaalsContact C-N 3.34Å; E678-M680 PolarHBondContact O-N 2.99Å; M680-G682 VanDerWaalsContact C-N 3.3Å; M680-G682 PolarHBondContact O-N 3Å; M680-S683 PolarHBondContact O-N 3.49Å; M680-S683 VanDerWaalsContact O-N 3.12Å; M680-L684 WeakPolarHBondContact O-CG 3.37Å; M680-L684 PolarHBondContact O-N 3.46Å
681	L	91.4	Very high	87.5	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-41.8	176.7	-72.5	174.7	0	0	0	111.4	W644 E677 E678 S683 L684 L685 E705 Y709	W644-L681 HydrophobicContact CD2-CD2 4.05Å; W644-L681 HydrophobicContact CG-CD2 4.31Å; W644-L681 HydrophobicContact CZ2-CD2 4.06Å; E677-L681 HydrophobicContact CG-CD1 4.45Å; E677-L681 PolarHBondContact O-N 3.45Å; E678-L681 PolarHBondContact O-N 2.7Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.46Å; L681-L684 PolarHBondContact O-N 3.29Å; L681-L685 WeakPolarHBondContact O-CB 3.46Å; L681-L685 PolarHBondContact O-N 2.94Å; L681-E705 HydrophobicContact CD2-CB 4.07Å; L681-Y709 HydrophobicContact CB-CD1 3.98Å; L681-Y709 HydrophobicContact CB-CG 4.07Å; L681-Y709 HydrophobicContact CD1-CG 4.26Å
682	G	90.2	Very high	88.5	Confident	13 Å²	13	43.4 Å²	43.4	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-44.5	172.5	0	0	0	0	0	111.9	E678 M680 L685 N686	E678-G682 PolarHBondContact O-N 2.9Å; M680-G682 VanDerWaalsContact C-N 3.3Å; M680-G682 PolarHBondContact O-N 3Å; G682-L685 PolarHBondContact O-N 3.37Å; G682-N686 PolarHBondContact O-N 2.94Å; G682-N686 PolarHBondContact O-ND2 3.29Å
683	S	91.8	Very high	89.4	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-41.4	178.8	-58.7	0	0	0	0	112.4	I615 Y622 T679 M680 L681 N686	I615-S683 VanDerWaalsContact CG2-OG 3.23Å; I615-S683 WeakPolarHBondContact CG2-OG 3.49Å; Y622-S683 PolarHBondContact OH-O 2.97Å; T679-S683 WeakPolarHBondContact O-CB 3.37Å; T679-S683 PolarHBondContact O-N 3.07Å; T679-S683 PolarHBondContact O-OG 3.24Å; M680-S683 PolarHBondContact O-N 3.49Å; M680-S683 VanDerWaalsContact O-N 3.12Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.46Å; S683-N686 WeakPolarHBondContact O-CB 3.47Å; S683-N686 PolarHBondContact O-N 3.19Å
684	L	93.9	Very high	90.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-45.5	173.8	-74.5	173.1	0	0	0	112.2	H637 I640 A641 M680 L681 N686 F687 L697 A702	H637-L684 WeakPolarHBondContact O-CD2 3.48Å; I640-L684 HydrophobicContact CB-CD2 3.96Å; I640-L684 HydrophobicContact CB-CG 4.44Å; I640-L684 HydrophobicContact CG2-CD1 4.28Å; I640-L684 HydrophobicContact CG2-CD2 3.66Å; I640-L684 HydrophobicContact CG2-CG 3.59Å; A641-L684 HydrophobicContact CB-CD1 4.2Å; A641-L684 HydrophobicContact CB-CD2 4.14Å; M680-L684 WeakPolarHBondContact O-CG 3.37Å; M680-L684 PolarHBondContact O-N 3.46Å; L681-L684 PolarHBondContact O-N 3.29Å; L684-N686 PolarHBondContact O-N 2.88Å; L684-N686 VanDerWaalsContact O-N 3.17Å; L684-F687 WeakPolarHBondContact O-CB 3.3Å; L684-F687 PolarHBondContact O-N 3.01Å; L684-L697 HydrophobicContact CB-CD1 3.83Å; L684-L697 HydrophobicContact CD2-CD1 4.46Å; L684-A702 HydrophobicContact CD1-CB 4.01Å
685	L	92.8	Very high	90.8	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-31	178.4	-176.4	65.2	0	0	0	112	L681 G682 F687 A688 C706 M710	L681-L685 WeakPolarHBondContact O-CB 3.46Å; L681-L685 PolarHBondContact O-N 2.94Å; G682-L685 PolarHBondContact O-N 3.37Å; L685-F687 PolarHBondContact O-N 3.05Å; L685-A688 WeakPolarHBondContact O-CB 3.33Å; L685-A688 PolarHBondContact O-N 2.93Å; L685-C706 HydrophobicContact CB-CB 4.47Å; L685-C706 HydrophobicContact CD1-CB 4.26Å; L685-M710 HydrophobicContact CD1-SD 4.48Å; L685-M710 HydrophobicContact CD2-CB 3.96Å; L685-M710 HydrophobicContact CD2-CG 4.16Å; L685-M710 HydrophobicContact CD2-SD 4.37Å
686	N	92.9	Very high	91.4	Very high	29 Å²	29	39 Å²	39	16%	0.155	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-68.6	-18.6	178.7	-83.6	-91.9	0	0	0	114.1	R619 Y622 N623 G682 S683 L684 A688 A689	R619-N686 HydrophobicContact CG-CB 3.98Å; R619-N686 VanDerWaalsContact CZ-CG 3.41Å; R619-N686 PolarHBondContact NE-ND2 2.97Å; R619-N686 PolarHBondContact NE-OD1 2.87Å; R619-N686 PolarHBondContact NH2-ND2 3.32Å; R619-N686 VanDerWaalsContact NH2-ND2 3.18Å; R619-N686 PolarHBondContact NH2-OD1 3.45Å; Y622-N686 HydrophobicContact CE2-CB 3.79Å; N623-N686 WeakPolarHBondContact OD1-CB 3.25Å; N623-N686 PolarHBondContact OD1-O 3.48Å; G682-N686 PolarHBondContact O-N 2.94Å; G682-N686 PolarHBondContact O-ND2 3.29Å; S683-N686 WeakPolarHBondContact O-CB 3.47Å; S683-N686 PolarHBondContact O-N 3.19Å; L684-N686 PolarHBondContact O-N 2.88Å; L684-N686 VanDerWaalsContact O-N 3.17Å; N686-A688 PolarHBondContact O-N 3.29Å; N686-A689 WeakPolarHBondContact O-CB 3.41Å; N686-A689 PolarHBondContact O-N 3.45Å; N686-A689 VanDerWaalsContact O-N 3.08Å
687	F	93.8	Very high	91.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.5	-27.7	168.8	-78.6	-91.5	0	0	0	111.6	Y622 L628 L636 H637 I640 L684 L685 A689 T690 G693 L694 L697	Y622-F687 HydrophobicContact CD1-CE1 4.28Å; Y622-F687 HydrophobicContact CD1-CE2 4.21Å; Y622-F687 AromaticContact CD1-CZ 3.8Å; Y622-F687 HydrophobicContact CD1-CZ 3.8Å; Y622-F687 HydrophobicContact CD2-CD1 4.08Å; Y622-F687 HydrophobicContact CD2-CD2 4.16Å; Y622-F687 HydrophobicContact CD2-CE1 4.03Å; Y622-F687 HydrophobicContact CD2-CE2 4.11Å; Y622-F687 HydrophobicContact CD2-CG 4.14Å; Y622-F687 HydrophobicContact CD2-CZ 4.04Å; Y622-F687 AromaticContact CE1-CE2 3.83Å; Y622-F687 HydrophobicContact CE1-CE2 3.83Å; Y622-F687 AromaticContact CE1-CZ 3.87Å; Y622-F687 HydrophobicContact CE1-CZ 3.87Å; Y622-F687 HydrophobicContact CE2-CD1 4.45Å; Y622-F687 AromaticContact CE2-CD2 3.71Å; Y622-F687 HydrophobicContact CE2-CD2 3.71Å; Y622-F687 HydrophobicContact CE2-CE1 4.46Å; Y622-F687 AromaticContact CE2-CE2 3.73Å; Y622-F687 HydrophobicContact CE2-CE2 3.73Å; Y622-F687 HydrophobicContact CE2-CG 4.09Å; Y622-F687 HydrophobicContact CE2-CZ 4.12Å; Y622-F687 HydrophobicContact CG-CD1 4.44Å; Y622-F687 AromaticContact CG-CE1 3.96Å; Y622-F687 HydrophobicContact CG-CE1 3.96Å; Y622-F687 HydrophobicContact CG-CE2 4.37Å; Y622-F687 AromaticContact CG-CZ 3.91Å; Y622-F687 HydrophobicContact CG-CZ 3.91Å; Y622-F687 AromaticContact CZ-CD2 3.98Å; Y622-F687 AromaticContact CZ-CE2 3.58Å; L628-F687 HydrophobicContact CD1-CD1 3.75Å; L628-F687 HydrophobicContact CD1-CE1 3.71Å; L636-F687 HydrophobicContact CB-CZ 4.36Å; L636-F687 HydrophobicContact CD2-CZ 4.43Å; L636-F687 HydrophobicContact CG-CZ 4.43Å; H637-F687 HydrophobicContact CB-CD1 4.24Å; H637-F687 HydrophobicContact CB-CD2 4.3Å; H637-F687 HydrophobicContact CB-CE1 3.96Å; H637-F687 HydrophobicContact CB-CE2 4.02Å; H637-F687 HydrophobicContact CB-CG 4.41Å; H637-F687 HydrophobicContact CB-CZ 3.84Å; I640-F687 HydrophobicContact CD1-CE2 4.32Å; L684-F687 WeakPolarHBondContact O-CB 3.3Å; L684-F687 PolarHBondContact O-N 3.01Å; L685-F687 PolarHBondContact O-N 3.05Å; F687-A689 PolarHBondContact O-N 3.31Å; F687-A689 VanDerWaalsContact O-N 3.1Å; F687-T690 PolarHBondContact O-N 3.42Å; F687-G693 CarbonylContact O-C 3.57Å; F687-G693 WeakPolarHBondContact O-CA 3.5Å; F687-L694 PolarHBondContact O-N 2.83Å; F687-L697 HydrophobicContact CB-CB 4.45Å
688	A	93.1	Very high	92.1	Very high	39 Å²	39	42.1 Å²	42.1	32%	0.322	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-68.8	-3.1	175.5	0	0	0	0	0	113.9	L685 N686 T690 L694 L697	L685-A688 WeakPolarHBondContact O-CB 3.33Å; L685-A688 PolarHBondContact O-N 2.93Å; N686-A688 PolarHBondContact O-N 3.29Å; A688-T690 PolarHBondContact O-N 2.9Å; A688-L694 HydrophobicContact CB-CB 4.47Å; A688-L694 HydrophobicContact CB-CD1 3.91Å; A688-L697 HydrophobicContact CB-CD2 4.29Å
689	A	91.4	Very high	92.4	Very high	63 Å²	63	44.7 Å²	44.7	52%	0.521	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-64	-15.7	171.4	0	0	0	0	0	113.1	N686 F687	N686-A689 WeakPolarHBondContact O-CB 3.41Å; N686-A689 PolarHBondContact O-N 3.45Å; N686-A689 VanDerWaalsContact O-N 3.08Å; F687-A689 PolarHBondContact O-N 3.31Å; F687-A689 VanDerWaalsContact O-N 3.1Å
690	T	91.4	Very high	92.7	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.031	23%	0.233	C	C	.	.	S	Bend	trans	-128.2	151.2	175.2	68.8	0	0	0	0	110.9	L628 F687 A688 R692 G693 L694	L628-T690 WeakPolarHBondContact CD2-OG1 3.45Å; F687-T690 PolarHBondContact O-N 3.42Å; A688-T690 PolarHBondContact O-N 2.9Å; T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.32Å; T690-G693 PolarHBondContact O-N 3.02Å; T690-G693 VanDerWaalsContact O-N 3.16Å; T690-G693 WeakPolarHBondContact OG1-CA 3.25Å; T690-G693 PolarHBondContact OG1-N 3.36Å; T690-L694 PolarHBondContact O-N 3.39Å
691	P	92.2	Very high	92.8	Very high	105 Å²	105	44.8 Å²	44.8	68%	0.682	26%	0.255	S	S	*	.	H	α-helix	trans	-57.9	-41.9	178.3	-26.1	34.4	0	0	0	113	L694 L695	P691-L694 PolarHBondContact O-N 2.89Å; P691-L695 PolarHBondContact O-N 3.16Å
692	R	92.1	Very high	92.8	Very high	130 Å²	130	44.1 Å²	44.1	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-37.2	178.4	-166	174.3	-165.9	-176.2	-0.2	111.7	L628 Q632 T690 L694 L695 L696	L628-R692 HydrophobicContact CD2-CB 4.17Å; Q632-R692 VanDerWaalsContact OE1-NE 3.15Å; Q632-R692 VanDerWaalsContact OE1-NH1 3.1Å; T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.32Å; R692-L694 VanDerWaalsContact C-N 3.35Å; R692-L695 WeakPolarHBondContact O-CB 2.97Å; R692-L695 PolarHBondContact O-N 3.5Å; R692-L696 WeakPolarHBondContact O-CG 3.44Å; R692-L696 PolarHBondContact O-N 3.03Å; R692-L696 VanDerWaalsContact O-N 3.09Å
693	G	93.6	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-31.9	178.1	0	0	0	0	0	112.7	L628 F687 T690 L695 L696 L697	L628-G693 VanDerWaalsContact CD2-CA 3.47Å; L628-G693 VanDerWaalsContact CD2-N 3.31Å; F687-G693 CarbonylContact O-C 3.57Å; F687-G693 WeakPolarHBondContact O-CA 3.5Å; T690-G693 PolarHBondContact O-N 3.02Å; T690-G693 VanDerWaalsContact O-N 3.16Å; T690-G693 WeakPolarHBondContact OG1-CA 3.25Å; T690-G693 PolarHBondContact OG1-N 3.36Å; G693-L695 VanDerWaalsContact C-N 3.31Å; G693-L695 PolarHBondContact O-N 3.38Å; G693-L696 PolarHBondContact O-N 2.83Å; G693-L697 PolarHBondContact O-N 3.14Å
694	L	93.8	Very high	92.8	Very high	78 Å²	78	51 Å²	51	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-42.2	169.6	-179.6	62.7	0	0	0	111.7	F687 A688 T690 P691 R692 L697 Q698 I703	F687-L694 PolarHBondContact O-N 2.83Å; A688-L694 HydrophobicContact CB-CB 4.47Å; A688-L694 HydrophobicContact CB-CD1 3.91Å; T690-L694 PolarHBondContact O-N 3.39Å; P691-L694 PolarHBondContact O-N 2.89Å; R692-L694 VanDerWaalsContact C-N 3.35Å; L694-L697 WeakPolarHBondContact O-CB 3.24Å; L694-L697 PolarHBondContact O-N 2.99Å; L694-Q698 PolarHBondContact O-N 3.1Å; L694-I703 HydrophobicContact CD1-CD1 4.36Å
695	L	94.3	Very high	92.8	Very high	97 Å²	97	54.6 Å²	54.6	51%	0.508	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-41.5	174.8	-61.9	175.1	0	0	0	111.8	P691 R692 G693 L697 Q698 Q699	P691-L695 PolarHBondContact O-N 3.16Å; R692-L695 WeakPolarHBondContact O-CB 2.97Å; R692-L695 PolarHBondContact O-N 3.5Å; G693-L695 VanDerWaalsContact C-N 3.31Å; G693-L695 PolarHBondContact O-N 3.38Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L695-Q698 WeakPolarHBondContact O-CB 3.48Å; L695-Q698 PolarHBondContact O-N 3.1Å; L695-Q699 WeakPolarHBondContact O-CG 3.26Å; L695-Q699 PolarHBondContact O-N 3.24Å
696	L	94.2	Very high	92.7	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-39.5	176	-64.8	177.5	0	0	0	111.8	L628 Q632 H637 R692 G693 Q699 T700	L628-L696 HydrophobicContact CD1-CD1 3.98Å; L628-L696 HydrophobicContact CD2-CD1 4.33Å; L628-L696 HydrophobicContact CG-CD1 4.44Å; Q632-L696 HydrophobicContact CG-CD1 4.05Å; Q632-L696 HydrophobicContact CG-CD2 4.47Å; H637-L696 PolarHBondContact CD2-O 3.39Å; R692-L696 WeakPolarHBondContact O-CG 3.44Å; R692-L696 PolarHBondContact O-N 3.03Å; R692-L696 VanDerWaalsContact O-N 3.09Å; G693-L696 PolarHBondContact O-N 2.83Å; L696-Q699 WeakPolarHBondContact O-CB 3.28Å; L696-Q699 PolarHBondContact O-N 3.35Å; L696-T700 WeakPolarHBondContact O-CG2 3.4Å; L696-T700 PolarHBondContact O-N 3.39Å
697	L	94.1	Very high	92.6	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174.1	176.8	59.7	0	0	0	110.7	L684 F687 A688 G693 L694 L695 Q699 T700	L684-L697 HydrophobicContact CB-CD1 3.83Å; L684-L697 HydrophobicContact CD2-CD1 4.46Å; F687-L697 HydrophobicContact CB-CB 4.45Å; A688-L697 HydrophobicContact CB-CD2 4.29Å; G693-L697 PolarHBondContact O-N 3.14Å; L694-L697 WeakPolarHBondContact O-CB 3.24Å; L694-L697 PolarHBondContact O-N 2.99Å; L695-L697 VanDerWaalsContact C-N 3.33Å; L697-Q699 VanDerWaalsContact C-N 3.26Å; L697-Q699 PolarHBondContact O-N 2.66Å; L697-T700 WeakPolarHBondContact O-CB 3.44Å; L697-T700 PolarHBondContact O-N 3.12Å; L697-T700 PolarHBondContact O-OG1 3.49Å
698	Q	93.1	Very high	92.4	Very high	120 Å²	120	58.1 Å²	58.1	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-56.8	-40.8	176.7	-172	-178	-0.4	0	0	111.8	L694 L695 T700 G701 I703	L694-Q698 PolarHBondContact O-N 3.1Å; L695-Q698 WeakPolarHBondContact O-CB 3.48Å; L695-Q698 PolarHBondContact O-N 3.1Å; Q698-T700 PolarHBondContact O-N 3.49Å; Q698-G701 PolarHBondContact O-N 3.49Å; Q698-G701 VanDerWaalsContact O-N 3.09Å; Q698-I703 HydrophobicContact CB-CD1 4.4Å
699	Q	93.4	Very high	92.2	Very high	129 Å²	129	58 Å²	58	60%	0.603	32%	0.32	S	S	*	.	H	α-helix	trans	-62.8	-21.7	177.3	-70.8	173.3	9.3	0	0	114	L695 L696 L697 G701	L695-Q699 WeakPolarHBondContact O-CG 3.26Å; L695-Q699 PolarHBondContact O-N 3.24Å; L696-Q699 WeakPolarHBondContact O-CB 3.28Å; L696-Q699 PolarHBondContact O-N 3.35Å; L697-Q699 VanDerWaalsContact C-N 3.26Å; L697-Q699 PolarHBondContact O-N 2.66Å; Q699-G701 VanDerWaalsContact C-N 3.29Å
700	T	93.3	Very high	92.2	Very high	10 Å²	10	59.5 Å²	59.5	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-76	-19.8	176.8	70.8	0	0	0	0	113.3	H637 A641 K645 L696 L697 Q698 A702	H637-T700 HydrophobicContact CB-CG2 4.18Å; A641-T700 HydrophobicContact CB-CG2 3.84Å; K645-T700 PolarHBondContact NZ-O 2.99Å; L696-T700 WeakPolarHBondContact O-CG2 3.4Å; L696-T700 PolarHBondContact O-N 3.39Å; L697-T700 WeakPolarHBondContact O-CB 3.44Å; L697-T700 PolarHBondContact O-N 3.12Å; L697-T700 PolarHBondContact O-OG1 3.49Å; Q698-T700 PolarHBondContact O-N 3.49Å; T700-A702 VanDerWaalsContact C-N 3.26Å; T700-A702 PolarHBondContact O-N 3.4Å; T700-A702 WeakPolarHBondContact OG1-CB 3.46Å; T700-A702 PolarHBondContact OG1-N 2.88Å
701	G	91.9	Very high	91.9	Very high	44 Å²	44	66 Å²	66	45%	0.454	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	7.4	-172.3	0	0	0	0	0	114.8	Q698 Q699	Q698-G701 PolarHBondContact O-N 3.49Å; Q698-G701 VanDerWaalsContact O-N 3.09Å; Q699-G701 VanDerWaalsContact C-N 3.29Å
702	A	91.5	Very high	91.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.329	C	S	.	.			trans	-94.6	11.2	-178	0	0	0	0	0	113.9	W644 L684 T700 N704 E705 C706	W644-A702 HydrophobicContact CE3-CB 4.06Å; W644-A702 HydrophobicContact CZ3-CB 3.78Å; L684-A702 HydrophobicContact CD1-CB 4.01Å; T700-A702 VanDerWaalsContact C-N 3.26Å; T700-A702 PolarHBondContact O-N 3.4Å; T700-A702 WeakPolarHBondContact OG1-CB 3.46Å; T700-A702 PolarHBondContact OG1-N 2.88Å; A702-N704 PolarHBondContact O-N 2.85Å; A702-E705 VanDerWaalsContact C-OE2 3.22Å; A702-E705 VanDerWaalsContact CA-OE2 3.32Å; A702-E705 WeakPolarHBondContact CA-OE2 3.39Å; A702-E705 PolarHBondContact O-N 3.34Å; A702-C706 WeakPolarHBondContact O-CB 3.2Å; A702-C706 PolarHBondContact O-N 3.47Å; A702-C706 PolarHBondContact O-SG 3.25Å; A702-C706 VanDerWaalsContact O-SG 3.38Å
703	I	91.4	Very high	91.3	Very high	51 Å²	51	63.3 Å²	63.3	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-38.4	-171	-163.1	167.9	0	0	0	112.1	L694 Q698 C706 V707	L694-I703 HydrophobicContact CD1-CD1 4.36Å; Q698-I703 HydrophobicContact CB-CD1 4.4Å; I703-C706 PolarHBondContact O-N 3.41Å; I703-V707 WeakPolarHBondContact O-CB 3.21Å; I703-V707 VanDerWaalsContact O-CG2 3.23Å; I703-V707 WeakPolarHBondContact O-CG2 3.48Å; I703-V707 PolarHBondContact O-N 3.47Å
704	N	91.2	Very high	90.9	Very high	115 Å²	115	69.1 Å²	69.1	62%	0.615	36%	0.355	S	S	*	.	H	α-helix	trans	-69.1	-40	-177.8	-68.5	-27.8	0	0	0	111	A702 V707 S708	A702-N704 PolarHBondContact O-N 2.85Å; N704-V707 PolarHBondContact O-N 3.1Å; N704-S708 WeakPolarHBondContact O-CB 3.21Å; N704-S708 PolarHBondContact O-N 3.21Å; N704-S708 PolarHBondContact O-OG 3.01Å
705	E	92.2	Very high	90.4	Very high	75 Å²	75	67.7 Å²	67.7	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-70.6	-40.8	178.4	-61.1	87.3	166.8	0	0	110.8	W644 L681 A702 S708 Y709	W644-E705 HydrophobicContact CH2-CB 3.86Å; W644-E705 HydrophobicContact CH2-CG 3.54Å; W644-E705 HydrophobicContact CZ2-CB 3.81Å; W644-E705 HydrophobicContact CZ2-CG 3.76Å; L681-E705 HydrophobicContact CD2-CB 4.07Å; A702-E705 VanDerWaalsContact C-OE2 3.22Å; A702-E705 VanDerWaalsContact CA-OE2 3.32Å; A702-E705 WeakPolarHBondContact CA-OE2 3.39Å; A702-E705 PolarHBondContact O-N 3.34Å; E705-S708 PolarHBondContact O-N 2.79Å; E705-Y709 VanDerWaalsContact O-CB 3.29Å; E705-Y709 WeakPolarHBondContact O-CB 3.32Å; E705-Y709 PolarHBondContact O-N 2.89Å
706	C	91.8	Very high	89.8	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-42.5	171.4	-76.9	0	0	0	0	112.5	L685 A702 I703 Y709 M710	L685-C706 HydrophobicContact CB-CB 4.47Å; L685-C706 HydrophobicContact CD1-CB 4.26Å; A702-C706 WeakPolarHBondContact O-CB 3.2Å; A702-C706 PolarHBondContact O-N 3.47Å; A702-C706 PolarHBondContact O-SG 3.25Å; A702-C706 VanDerWaalsContact O-SG 3.38Å; I703-C706 PolarHBondContact O-N 3.41Å; C706-Y709 PolarHBondContact O-N 3.4Å; C706-M710 WeakPolarHBondContact O-CB 3.32Å; C706-M710 PolarHBondContact O-N 2.97Å
707	V	90.6	Very high	89.1	Confident	73 Å²	73	73.6 Å²	73.6	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-42.7	176.6	169.6	0	0	0	0	111	I703 N704 Y709 M710 F711	I703-V707 WeakPolarHBondContact O-CB 3.21Å; I703-V707 VanDerWaalsContact O-CG2 3.23Å; I703-V707 WeakPolarHBondContact O-CG2 3.48Å; I703-V707 PolarHBondContact O-N 3.47Å; N704-V707 PolarHBondContact O-N 3.1Å; V707-Y709 PolarHBondContact O-N 2.88Å; V707-M710 WeakPolarHBondContact O-CB 3.37Å; V707-M710 PolarHBondContact O-N 2.77Å; V707-F711 PolarHBondContact O-N 3.45Å
708	S	89.9	Confident	88.1	Confident	77 Å²	77	77 Å²	77	54%	0.538	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.7	-59.7	0	0	0	0	111.6	N704 E705 F711 S712	N704-S708 WeakPolarHBondContact O-CB 3.21Å; N704-S708 PolarHBondContact O-N 3.21Å; N704-S708 PolarHBondContact O-OG 3.01Å; E705-S708 PolarHBondContact O-N 2.79Å; S708-F711 PolarHBondContact O-N 3.09Å; S708-S712 WeakPolarHBondContact O-CB 3.47Å; S708-S712 PolarHBondContact O-N 3Å
709	Y	89.2	Confident	87	Confident	37 Å²	37	76.7 Å²	76.7	15%	0.145	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-45.2	173.6	172.1	-108.5	0	0	0	112.1	E678 L681 E705 C706 V707 F711 S712 R713	E678-Y709 HydrophobicContact CB-CD2 4.5Å; E678-Y709 HydrophobicContact CB-CE2 3.63Å; E678-Y709 HydrophobicContact CG-CD2 4.15Å; E678-Y709 HydrophobicContact CG-CE2 3.5Å; L681-Y709 HydrophobicContact CB-CD1 3.98Å; L681-Y709 HydrophobicContact CB-CG 4.07Å; L681-Y709 HydrophobicContact CD1-CG 4.26Å; E705-Y709 VanDerWaalsContact O-CB 3.29Å; E705-Y709 WeakPolarHBondContact O-CB 3.32Å; E705-Y709 PolarHBondContact O-N 2.89Å; C706-Y709 PolarHBondContact O-N 3.4Å; V707-Y709 PolarHBondContact O-N 2.88Å; Y709-F711 VanDerWaalsContact C-N 3.33Å; Y709-F711 PolarHBondContact O-N 2.87Å; Y709-S712 PolarHBondContact O-N 3.4Å; Y709-R713 WeakPolarHBondContact O-CB 3.25Å; Y709-R713 PolarHBondContact O-N 2.89Å
710	M	90.4	Very high	85.8	Confident	93 Å²	93	74.5 Å²	74.5	46%	0.458	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-45.3	176	-177.4	-176.2	67.6	0	0	111.5	L685 C706 V707 R713 F714	L685-M710 HydrophobicContact CD1-SD 4.48Å; L685-M710 HydrophobicContact CD2-CB 3.96Å; L685-M710 HydrophobicContact CD2-CG 4.16Å; L685-M710 HydrophobicContact CD2-SD 4.37Å; C706-M710 WeakPolarHBondContact O-CB 3.32Å; C706-M710 PolarHBondContact O-N 2.97Å; V707-M710 WeakPolarHBondContact O-CB 3.37Å; V707-M710 PolarHBondContact O-N 2.77Å; M710-R713 PolarHBondContact O-N 3.02Å; M710-F714 WeakPolarHBondContact O-CB 3.4Å; M710-F714 PolarHBondContact O-N 3.28Å
711	F	86.5	Confident	84	Confident	141 Å²	141	78.3 Å²	78.3	62%	0.618	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-48.7	177.2	-171.2	-94.4	0	0	0	111.5	V707 S708 Y709 R713 F714 T715	V707-F711 PolarHBondContact O-N 3.45Å; S708-F711 PolarHBondContact O-N 3.09Å; Y709-F711 VanDerWaalsContact C-N 3.33Å; Y709-F711 PolarHBondContact O-N 2.87Å; F711-R713 VanDerWaalsContact C-N 3.31Å; F711-R713 PolarHBondContact O-N 3.11Å; F711-F714 WeakPolarHBondContact O-CB 3.29Å; F711-F714 PolarHBondContact O-N 3.39Å; F711-F714 VanDerWaalsContact O-N 3.09Å; F711-T715 PolarHBondContact O-N 2.74Å; F711-T715 PolarHBondContact O-OG1 2.87Å; F711-T715 VanDerWaalsContact O-OG1 3.06Å
712	S	86.4	Confident	82.1	Confident	50 Å²	50	80.5 Å²	80.5	35%	0.35	40%	0.404	S	S	.	.	H	α-helix	trans	-55.9	-45	176.5	-177.4	0	0	0	0	112.2	S708 Y709 F714 T715 K716	S708-S712 WeakPolarHBondContact O-CB 3.47Å; S708-S712 PolarHBondContact O-N 3Å; Y709-S712 PolarHBondContact O-N 3.4Å; S712-F714 VanDerWaalsContact C-N 3.35Å; S712-F714 PolarHBondContact O-N 3.05Å; S712-T715 PolarHBondContact O-N 3.31Å; S712-K716 WeakPolarHBondContact O-CG 3.46Å; S712-K716 PolarHBondContact O-N 3.45Å
713	R	84.8	Confident	80.2	Confident	129 Å²	129	87.3 Å²	87.3	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-39.8	177	-173.6	179.8	-178.7	-167.6	0.9	112.2	Y709 M710 F711 K717	Y709-R713 WeakPolarHBondContact O-CB 3.25Å; Y709-R713 PolarHBondContact O-N 2.89Å; M710-R713 PolarHBondContact O-N 3.02Å; F711-R713 VanDerWaalsContact C-N 3.31Å; F711-R713 PolarHBondContact O-N 3.11Å; R713-K717 PolarHBondContact O-N 2.83Å; R713-K717 VanDerWaalsContact O-N 3.08Å
714	F	84.7	Confident	78.1	Confident	123 Å²	123	90 Å²	90	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-65.5	-45.6	176.9	-176.2	-102.8	0	0	0	111.4	M710 F711 S712 K716 K717 L718	M710-F714 WeakPolarHBondContact O-CB 3.4Å; M710-F714 PolarHBondContact O-N 3.28Å; F711-F714 WeakPolarHBondContact O-CB 3.29Å; F711-F714 PolarHBondContact O-N 3.39Å; F711-F714 VanDerWaalsContact O-N 3.09Å; S712-F714 VanDerWaalsContact C-N 3.35Å; S712-F714 PolarHBondContact O-N 3.05Å; F714-K716 PolarHBondContact O-N 2.94Å; F714-K717 PolarHBondContact O-N 2.93Å; F714-L718 HydrophobicContact CD1-CD1 3.75Å; F714-L718 HydrophobicContact CD1-CG 4.42Å; F714-L718 HydrophobicContact CE1-CD1 3.32Å; F714-L718 HydrophobicContact CE1-CG 4.11Å; F714-L718 HydrophobicContact CZ-CD1 3.87Å; F714-L718 HydrophobicContact CZ-CD2 4.48Å; F714-L718 HydrophobicContact CZ-CG 4.27Å; F714-L718 PolarHBondContact O-N 2.91Å
715	T	83.1	Confident	76.2	Confident	47 Å²	47	91 Å²	91	29%	0.288	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-45.1	175.7	-52.2	0	0	0	0	112.1	F711 S712 K717 L718 Q719	F711-T715 PolarHBondContact O-N 2.74Å; F711-T715 PolarHBondContact O-OG1 2.87Å; F711-T715 VanDerWaalsContact O-OG1 3.06Å; S712-T715 PolarHBondContact O-N 3.31Å; T715-K717 VanDerWaalsContact C-N 3.34Å; T715-K717 PolarHBondContact O-N 2.85Å; T715-L718 PolarHBondContact O-N 3.24Å; T715-Q719 WeakPolarHBondContact O-CG 3.3Å; T715-Q719 PolarHBondContact O-N 3.4Å
716	K	82.4	Confident	73.8	Confident	107 Å²	107	96.5 Å²	96.5	47%	0.465	48%	0.476	S	S	.	.	H	α-helix	trans	-59.1	-42.9	175.3	-74.9	175.9	-178.7	177.6	0	111.9	E678 S712 F714 Q719 V720	E678-K716 IonicContact OE1-NZ 3.05Å; S712-K716 WeakPolarHBondContact O-CG 3.46Å; S712-K716 PolarHBondContact O-N 3.45Å; F714-K716 PolarHBondContact O-N 2.94Å; K716-Q719 PolarHBondContact O-N 3.11Å; K716-V720 WeakPolarHBondContact O-CG2 3.45Å; K716-V720 PolarHBondContact O-N 3.43Å; K716-V720 VanDerWaalsContact O-N 3.11Å
717	K	78.8	Confident	71.3	Confident	120 Å²	120	103.2 Å²	103.2	52%	0.522	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.1	-80.8	-173.8	172.9	-170.2	0	112.8	R713 F714 T715 N721	R713-K717 PolarHBondContact O-N 2.83Å; R713-K717 VanDerWaalsContact O-N 3.08Å; F714-K717 PolarHBondContact O-N 2.93Å; T715-K717 VanDerWaalsContact C-N 3.34Å; T715-K717 PolarHBondContact O-N 2.85Å; K717-N721 WeakPolarHBondContact O-CB 3.31Å; K717-N721 PolarHBondContact O-N 3.15Å
718	L	73.2	Confident	70.3	Confident	76 Å²	76	104.7 Å²	104.7	40%	0.398	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-38.4	176.2	-75	174.1	0	0	0	112.3	F714 T715 N721 N722	F714-L718 HydrophobicContact CD1-CD1 3.75Å; F714-L718 HydrophobicContact CD1-CG 4.42Å; F714-L718 HydrophobicContact CE1-CD1 3.32Å; F714-L718 HydrophobicContact CE1-CG 4.11Å; F714-L718 HydrophobicContact CZ-CD1 3.87Å; F714-L718 HydrophobicContact CZ-CD2 4.48Å; F714-L718 HydrophobicContact CZ-CG 4.27Å; F714-L718 PolarHBondContact O-N 2.91Å; T715-L718 PolarHBondContact O-N 3.24Å; L718-N721 PolarHBondContact O-N 2.92Å; L718-N722 WeakPolarHBondContact O-CB 3.36Å; L718-N722 PolarHBondContact O-N 3.47Å; L718-N722 PolarHBondContact O-ND2 3.36Å
719	Q	70.2	Confident	69.3	Low	113 Å²	113	106.2 Å²	106.2	53%	0.528	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-47.2	176.1	-74	171.9	-17	0	0	111.8	T715 K716 N721 N722 E723	T715-Q719 WeakPolarHBondContact O-CG 3.3Å; T715-Q719 PolarHBondContact O-N 3.4Å; K716-Q719 PolarHBondContact O-N 3.11Å; Q719-N721 VanDerWaalsContact C-N 3.33Å; Q719-N721 PolarHBondContact O-N 3.25Å; Q719-N722 PolarHBondContact O-N 2.95Å; Q719-E723 WeakPolarHBondContact O-CG 3.43Å; Q719-E723 PolarHBondContact O-N 3.04Å
720	V	67.6	Low	68.2	Low	82 Å²	82	110 Å²	110	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.8	173.9	0	0	0	0	111.5	K716 E723 L724	K716-V720 WeakPolarHBondContact O-CG2 3.45Å; K716-V720 PolarHBondContact O-N 3.43Å; K716-V720 VanDerWaalsContact O-N 3.11Å; V720-E723 PolarHBondContact O-N 3.09Å; V720-L724 HydrophobicContact CG1-CD1 3.99Å; V720-L724 WeakPolarHBondContact O-CB 3.5Å; V720-L724 PolarHBondContact O-N 3.01Å
721	N	55.3	Low	66.9	Low	90 Å²	90	111 Å²	111	48%	0.481	55%	0.553	S	S	.	*	H	α-helix	trans	-66	-37.9	175.8	-75.5	-2.8	0	0	0	112.3	K717 L718 Q719 L724 I725	K717-N721 WeakPolarHBondContact O-CB 3.31Å; K717-N721 PolarHBondContact O-N 3.15Å; L718-N721 PolarHBondContact O-N 2.92Å; Q719-N721 VanDerWaalsContact C-N 3.33Å; Q719-N721 PolarHBondContact O-N 3.25Å; N721-L724 PolarHBondContact O-N 3.29Å; N721-I725 WeakPolarHBondContact O-CD1 3.41Å; N721-I725 WeakPolarHBondContact O-CG1 3.41Å; N721-I725 PolarHBondContact O-N 2.97Å; N721-I725 VanDerWaalsContact O-N 3.1Å
722	N	52.3	Low	65.7	Low	91 Å²	91	109.1 Å²	109.1	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-71.6	-29	177.1	-74.2	-18.2	0	0	0	113.1	L718 Q719 K726	L718-N722 WeakPolarHBondContact O-CB 3.36Å; L718-N722 PolarHBondContact O-N 3.47Å; L718-N722 PolarHBondContact O-ND2 3.36Å; Q719-N722 PolarHBondContact O-N 2.95Å; N722-K726 WeakPolarHBondContact O-CG 3.38Å; N722-K726 PolarHBondContact O-N 3.5Å
723	E	51.4	Low	64.3	Low	142 Å²	142	113.1 Å²	113.1	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-73.9	-37.9	172.3	-73.7	-176.3	172.1	0	0	112	Q719 V720 I725 K726 S727	Q719-E723 WeakPolarHBondContact O-CG 3.43Å; Q719-E723 PolarHBondContact O-N 3.04Å; V720-E723 PolarHBondContact O-N 3.09Å; E723-I725 VanDerWaalsContact C-N 3.28Å; E723-I725 PolarHBondContact O-N 3.09Å; E723-K726 PolarHBondContact O-N 3.04Å; E723-K726 VanDerWaalsContact O-N 3.12Å; E723-S727 PolarHBondContact O-N 2.86Å
724	L	49	Very low	62.8	Low	109 Å²	109	111.9 Å²	111.9	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-25	172.4	-82.6	158.8	0	0	0	113.7	V720 N721 K726	V720-L724 HydrophobicContact CG1-CD1 3.99Å; V720-L724 WeakPolarHBondContact O-CB 3.5Å; V720-L724 PolarHBondContact O-N 3.01Å; N721-L724 PolarHBondContact O-N 3.29Å; L724-K726 VanDerWaalsContact C-N 3.33Å
725	I	50	Low	61.1	Low	134 Å²	134	111.1 Å²	111.1	69%	0.687	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-18.6	173.8	-69	163.4	0	0	0	111.4	N721 E723	N721-I725 WeakPolarHBondContact O-CD1 3.41Å; N721-I725 WeakPolarHBondContact O-CG1 3.41Å; N721-I725 PolarHBondContact O-N 2.97Å; N721-I725 VanDerWaalsContact O-N 3.1Å; E723-I725 VanDerWaalsContact C-N 3.28Å; E723-I725 PolarHBondContact O-N 3.09Å
726	K	43.1	Very low	59.3	Low	191 Å²	191	116.4 Å²	116.4	83%	0.83	59%	0.594	S	S	*	*			trans	-95.6	-6.8	177.6	-75.8	-178.9	177.8	-178.4	0	113.9	N722 E723 L724	N722-K726 WeakPolarHBondContact O-CG 3.38Å; N722-K726 PolarHBondContact O-N 3.5Å; E723-K726 PolarHBondContact O-N 3.04Å; E723-K726 VanDerWaalsContact O-N 3.12Å; L724-K726 VanDerWaalsContact C-N 3.33Å
727	S	38.6	Very low	57.2	Low	142 Å²	142	117.3 Å²	117.3	99%	0.993	61%	0.605	S	S	*	*			trans	-102.6	0	173.4	87.7	0	0	0	0	110	E723	E723-S727 PolarHBondContact O-N 2.86Å

Retrieved 727 of 727 residues in 379 ms (Link to these results)

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