A0A5K4F580_SCHMA Loading...

Alpha 1,6 fucosyltransferase I

AlphaFold DB , UniProt , Accession A0A5K4F580, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	36.4	Very low	244 Å²	244	119.2 Å²	119.2	100%	1.202	54%	0.536	S	S	*	.				0	72.4	0	-77.2	173.3	149	0	0	110.8
2	R	27.2	Very low	37.1	Very low	228 Å²	228	110 Å²	110	86%	0.86	50%	0.495	S	S	*	.			trans	-89.3	1	-177.1	-108.6	179	-177.7	174	0.2	114.7
3	Y	27.9	Very low	38	Very low	218 Å²	218	109.2 Å²	109.2	86%	0.855	50%	0.504	S	S	*	.	S	Bend	trans	-137.7	115.2	179.7	-76.8	-93.9	0	0	0	107.9
4	S	33.9	Very low	38.9	Very low	65 Å²	65	102.2 Å²	102.2	46%	0.455	47%	0.472	S	S	.	.	S	Bend	trans	158.8	-14.4	156.6	176.4	0	0	0	0	114.9	F70	S4-F70 WeakPolarHBondContact OG-CE1 3.3Å
5	R	34.3	Very low	39.5	Very low	156 Å²	156	97.5 Å²	97.5	59%	0.589	45%	0.449	S	S	*	.	S	Bend	trans	-82.8	-15.2	176.5	-110.1	-178.5	-175.7	-169.7	0.7	115.4	R303	R5-R303 PolarHBondContact NH1-O 3.39Å
6	K	37.1	Very low	40.2	Very low	138 Å²	138	95.2 Å²	95.2	60%	0.6	44%	0.44	S	S	*	.	S	Bend	trans	-86.6	-15	-168.2	-75.4	-176.3	174.4	176.2	0	115.9
7	E	40.4	Very low	40.8	Very low	78 Å²	78	92.5 Å²	92.5	36%	0.364	43%	0.433	S	S	.	.	S	Bend	trans	-103.8	-16.3	-168.6	-67.5	-172	135.8	0	0	113.5	L66	E7-L66 HydrophobicContact CB-CD1 3.85Å; E7-L66 HydrophobicContact CB-CD2 3.13Å; E7-L66 HydrophobicContact CB-CG 3.8Å; E7-L66 HydrophobicContact CG-CD2 4.1Å; E7-L66 WeakPolarHBondContact O-CD1 3.22Å; E7-L66 VanDerWaalsContact OE2-CD2 3.31Å; E7-L66 WeakPolarHBondContact OE2-CD2 3.37Å
8	F	39.5	Very low	41.3	Very low	29 Å²	29	88.3 Å²	88.3	13%	0.127	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.1	177.7	-161.6	-97.8	0	0	0	113.6	R100 A103 L104 L162 L165	F8-R100 HydrophobicContact CD2-CG 4.38Å; F8-R100 HydrophobicContact CE2-CG 3.47Å; F8-R100 VanDerWaalsContact CE2-CG 3.47Å; F8-R100 HydrophobicContact CZ-CB 4.44Å; F8-R100 HydrophobicContact CZ-CG 3.61Å; F8-A103 HydrophobicContact CE1-CB 4.5Å; F8-A103 HydrophobicContact CZ-CB 3.98Å; F8-L104 HydrophobicContact CE2-CD2 4.48Å; F8-L162 HydrophobicContact CD1-CD2 4.15Å; F8-L162 HydrophobicContact CE1-CD2 3.53Å; F8-L162 HydrophobicContact CZ-CD2 4.47Å; F8-L165 HydrophobicContact CD1-CD2 3.85Å; F8-L165 HydrophobicContact CE1-CD2 3.23Å; F8-L165 HydrophobicContact CZ-CD2 3.86Å
9	N	47.9	Very low	42	Very low	100 Å²	100	84.5 Å²	84.5	54%	0.535	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.8	175.8	-87.7	-10.9	0	0	0	113.3	V13	N9-V13 VanDerWaalsContact O-CG2 3.29Å; N9-V13 WeakPolarHBondContact O-CG2 3.18Å; N9-V13 PolarHBondContact O-N 2.82Å
10	L	42.2	Very low	42.5	Very low	46 Å²	46	83.9 Å²	83.9	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-67.4	-41.8	-173.7	-126.1	76.3	0	0	0	112.2	V12 L14 W58 I526 I527	L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 3.23Å; L10-L14 VanDerWaalsContact O-CB 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.22Å; L10-W58 HydrophobicContact CD2-CH2 3.74Å; L10-W58 HydrophobicContact CD2-CZ3 3.97Å; L10-I526 HydrophobicContact CD1-CD1 3.79Å; L10-I526 HydrophobicContact CD2-CD1 4.38Å; L10-I527 HydrophobicContact CD2-CD1 3.95Å
11	S	42.1	Very low	42.9	Very low	9 Å²	9	81.8 Å²	81.8	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-69.9	-22.3	-174.5	50.5	0	0	0	0	115.3	I107	S11-I107 WeakPolarHBondContact OG-CD1 3.35Å
12	V	44.9	Very low	44.1	Very low	9 Å²	9	70.6 Å²	70.6	6%	0.055	34%	0.338	C	S	.	.	H	α-helix	trans	-98.1	-34.6	-176.1	-178	0	0	0	0	112.3	L10 L14 I107 L158 L162	L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 3.23Å; V12-L14 PolarHBondContact O-N 2.76Å; V12-I107 HydrophobicContact CG2-CD1 4.2Å; V12-L158 HydrophobicContact CB-CD2 4.15Å; V12-L158 HydrophobicContact CB-CG 4.33Å; V12-L158 HydrophobicContact CG1-CD1 4.46Å; V12-L158 HydrophobicContact CG1-CD2 3.65Å; V12-L158 HydrophobicContact CG1-CG 3.62Å; V12-L158 HydrophobicContact CG2-CD1 3.81Å; V12-L158 HydrophobicContact CG2-CD2 3.8Å; V12-L158 HydrophobicContact CG2-CG 3.85Å; V12-L162 HydrophobicContact CB-CD1 3.43Å; V12-L162 VanDerWaalsContact CB-CD1 3.43Å; V12-L162 HydrophobicContact CB-CG 4.3Å; V12-L162 HydrophobicContact CG1-CD1 3.37Å; V12-L162 HydrophobicContact CG1-CG 4.07Å; V12-L162 HydrophobicContact CG2-CD1 3.53Å; V12-L162 HydrophobicContact CG2-CD2 4.03Å; V12-L162 HydrophobicContact CG2-CG 3.96Å
13	V	48.3	Very low	45.4	Very low	100 Å²	100	61 Å²	61	61%	0.606	30%	0.303	S	S	*	.	H	α-helix	trans	-66.2	-19.3	171.7	176.5	0	0	0	0	111.6	N9 W15	N9-V13 VanDerWaalsContact O-CG2 3.29Å; N9-V13 WeakPolarHBondContact O-CG2 3.18Å; N9-V13 PolarHBondContact O-N 2.82Å; V13-W15 PolarHBondContact O-N 3.46Å
14	L	50.9	Low	46.5	Very low	11 Å²	11	56.5 Å²	56.5	6%	0.058	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.9	-172	-97.7	169	0	0	0	116.6	L10 V12 W58 V59 Y580	L10-L14 VanDerWaalsContact O-CB 3.29Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CD1 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.32Å; L10-L14 PolarHBondContact O-N 3.22Å; V12-L14 PolarHBondContact O-N 2.76Å; L14-W58 HydrophobicContact CD1-CZ3 4.4Å; L14-V59 HydrophobicContact CD1-CG2 3.73Å; L14-Y580 HydrophobicContact CD2-CD1 3.39Å; L14-Y580 HydrophobicContact CD2-CD2 3.28Å; L14-Y580 HydrophobicContact CD2-CE1 3.66Å; L14-Y580 HydrophobicContact CD2-CE2 3.6Å; L14-Y580 HydrophobicContact CD2-CG 3.17Å; L14-Y580 HydrophobicContact CG-CD2 4.25Å; L14-Y580 HydrophobicContact CG-CG 4.18Å
15	W	47.6	Very low	47.3	Very low	32 Å²	32	54.8 Å²	54.8	12%	0.121	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-27	-165.3	-81.5	89	0	0	0	116.5	V13 L19 A52 V56 L114	V13-W15 PolarHBondContact O-N 3.46Å; W15-L19 HydrophobicContact CE3-CD1 3.95Å; W15-L19 WeakPolarHBondContact O-CD1 3.27Å; W15-A52 HydrophobicContact CH2-CB 3.81Å; W15-A52 VanDerWaalsContact CH2-O 3.23Å; W15-A52 WeakPolarHBondContact CH2-O 3.27Å; W15-A52 WeakPolarHBondContact CZ2-O 3.26Å; W15-A52 HydrophobicContact CZ3-CB 4.02Å; W15-V56 HydrophobicContact CH2-CG2 3.35Å; W15-V56 HydrophobicContact CZ2-CB 4.19Å; W15-V56 HydrophobicContact CZ2-CG2 3.12Å; W15-L114 HydrophobicContact CH2-CD1 4.04Å; W15-L114 HydrophobicContact CH2-CD2 3.33Å; W15-L114 HydrophobicContact CH2-CG 4.21Å; W15-L114 HydrophobicContact CZ2-CD2 4.27Å; W15-L114 HydrophobicContact CZ3-CD1 3.66Å; W15-L114 HydrophobicContact CZ3-CD2 3.86Å; W15-L114 HydrophobicContact CZ3-CG 4.29Å
16	L	50.9	Low	48.2	Very low	60 Å²	60	48.1 Å²	48.1	31%	0.314	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-36.4	-168.8	-100.3	140	0	0	0	117.2	P20 I155 E159	L16-P20 WeakPolarHBondContact O-CD 3.4Å; L16-I155 HydrophobicContact CD1-CG2 4.07Å; L16-I155 HydrophobicContact CD2-CD1 4.26Å; L16-I155 HydrophobicContact CD2-CG2 3.23Å; L16-I155 HydrophobicContact CG-CD1 4.11Å; L16-I155 HydrophobicContact CG-CG1 4.27Å; L16-I155 HydrophobicContact CG-CG2 3.61Å; L16-E159 HydrophobicContact CD1-CG 4.22Å; L16-E159 WeakPolarHBondContact CD1-OE1 3.45Å; L16-E159 WeakPolarHBondContact CD2-OE1 3.46Å
17	P	51.3	Low	48.8	Very low	49 Å²	49	43.4 Å²	43.4	32%	0.318	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-15.8	-173.6	7.7	7.9	0	0	0	116.1
18	L	49.8	Very low	49.2	Very low	18 Å²	18	42.8 Å²	42.8	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-83.3	-28.9	-177	-94.8	157	0	0	0	113.3	L22 V51 N548	L18-L22 PolarHBondContact O-N 2.91Å; L18-V51 HydrophobicContact CD1-CG1 4.27Å; L18-N548 WeakPolarHBondContact CG-O 3.3Å
19	L	53.4	Low	49.6	Very low	16 Å²	16	43.4 Å²	43.4	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-41	-176.9	-78.9	151.4	0	0	0	114.3	W15 V21 L22 M23 Y147 V151 I155	W15-L19 HydrophobicContact CE3-CD1 3.95Å; W15-L19 WeakPolarHBondContact O-CD1 3.27Å; L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.07Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 PolarHBondContact O-N 3.39Å; L19-M23 VanDerWaalsContact O-N 3.1Å; L19-Y147 HydrophobicContact CD2-CE1 3.85Å; L19-Y147 WeakPolarHBondContact CD2-OH 3.39Å; L19-V151 HydrophobicContact CB-CG1 4.2Å; L19-V151 HydrophobicContact CD1-CG1 3.28Å; L19-V151 HydrophobicContact CD2-CG1 3.94Å; L19-V151 HydrophobicContact CD2-CG2 4.18Å; L19-V151 HydrophobicContact CG-CG1 3.97Å; L19-I155 HydrophobicContact CD1-CD1 4.14Å
20	P	53.5	Low	49.6	Very low	72 Å²	72	40.8 Å²	40.8	47%	0.468	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-33.2	175.7	-22.4	33.9	0	0	0	113.4	L16 M23 L24	L16-P20 WeakPolarHBondContact O-CD 3.4Å; P20-M23 WeakPolarHBondContact O-CB 3.22Å; P20-M23 PolarHBondContact O-N 3.39Å; P20-L24 PolarHBondContact O-N 2.94Å
21	V	50.3	Low	49.8	Very low	40 Å²	40	48.5 Å²	48.5	24%	0.242	26%	0.258	C	S	.	.	H	α-helix	trans	-71.2	-39.3	177.8	176.8	0	0	0	0	111.1	L19 M23 L24 C25 N548	L19-V21 VanDerWaalsContact C-N 3.32Å; L19-V21 PolarHBondContact O-N 3.12Å; V21-M23 PolarHBondContact O-N 2.71Å; V21-L24 PolarHBondContact O-N 3Å; V21-C25 PolarHBondContact O-N 3.4Å; V21-C25 PolarHBondContact O-SG 2.93Å; V21-N548 HydrophobicContact CG2-CB 3.69Å
22	L	53	Low	49.9	Very low	8 Å²	8	53.8 Å²	53.8	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-41	171.2	-154.7	89.1	0	0	0	111.2	L18 L19 C25 I26 L45 N48 V49 L117	L18-L22 PolarHBondContact O-N 2.91Å; L19-L22 PolarHBondContact O-N 3.07Å; L22-C25 PolarHBondContact O-N 3.48Å; L22-I26 HydrophobicContact CD2-CD1 3.97Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 WeakPolarHBondContact O-CB 3.4Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.5Å; L22-I26 PolarHBondContact O-N 3.41Å; L22-L45 HydrophobicContact CD1-CD1 3.68Å; L22-L45 HydrophobicContact CD1-CG 4.37Å; L22-L45 HydrophobicContact CG-CD1 3.75Å; L22-N48 HydrophobicContact CD1-CB 3.71Å; L22-V49 HydrophobicContact CD1-CG2 3.77Å; L22-V49 HydrophobicContact CD2-CG2 4.3Å; L22-L117 HydrophobicContact CD2-CD1 4.14Å; L22-L117 HydrophobicContact CD2-CD2 3.35Å; L22-L117 HydrophobicContact CD2-CG 4.28Å
23	M	54.4	Low	49.9	Very low	28 Å²	28	57 Å²	57	14%	0.138	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-38.2	176.7	-69.7	-67	167.1	0	0	113.1	L19 P20 V21 G27 Y147 R148	L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.45Å; L19-M23 PolarHBondContact O-N 3.39Å; L19-M23 VanDerWaalsContact O-N 3.1Å; P20-M23 WeakPolarHBondContact O-CB 3.22Å; P20-M23 PolarHBondContact O-N 3.39Å; V21-M23 PolarHBondContact O-N 2.71Å; M23-G27 PolarHBondContact O-N 2.79Å; M23-Y147 HydrophobicContact CE-CD1 3.49Å; M23-Y147 VanDerWaalsContact CE-CD1 3.49Å; M23-Y147 HydrophobicContact CE-CE1 3.85Å; M23-R148 HydrophobicContact CE-CB 3.34Å; M23-R148 HydrophobicContact CE-CG 3.76Å; M23-R148 HydrophobicContact CG-CG 4.1Å; M23-R148 HydrophobicContact SD-CB 3.79Å; M23-R148 HydrophobicContact SD-CG 3.87Å
24	L	51.5	Low	49.6	Very low	123 Å²	123	58.7 Å²	58.7	64%	0.644	30%	0.304	S	S	*	.	H	α-helix	trans	-65.3	-44.9	173.6	-77.1	167.3	0	0	0	111.4	P20 V21 I26 G27 D28	P20-L24 PolarHBondContact O-N 2.94Å; V21-L24 PolarHBondContact O-N 3Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.35Å; L24-G27 PolarHBondContact O-N 2.79Å; L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.31Å
25	C	50.6	Low	48.8	Very low	29 Å²	29	62.3 Å²	62.3	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-39.8	177.3	-66.5	0	0	0	0	112.3	V21 L22 Y29 L45	V21-C25 PolarHBondContact O-N 3.4Å; V21-C25 PolarHBondContact O-SG 2.93Å; L22-C25 PolarHBondContact O-N 3.48Å; C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 2.82Å; C25-L45 HydrophobicContact CB-CD1 4.01Å
26	I	53.4	Low	48.2	Very low	15 Å²	15	66 Å²	66	8%	0.077	36%	0.361	C	S	.	.	H	α-helix	trans	-70.2	-43.4	177.4	-68.5	171.2	0	0	0	110.6	L22 L24 Y29 F30 L45 L144	L22-I26 HydrophobicContact CD2-CD1 3.97Å; L22-I26 HydrophobicContact CG-CD1 4.08Å; L22-I26 WeakPolarHBondContact O-CB 3.4Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.5Å; L22-I26 PolarHBondContact O-N 3.41Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.35Å; I26-Y29 WeakPolarHBondContact O-CB 3.48Å; I26-Y29 PolarHBondContact O-N 2.83Å; I26-F30 HydrophobicContact CG2-CD2 3.89Å; I26-F30 HydrophobicContact CG2-CE2 3.7Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.34Å; I26-F30 VanDerWaalsContact O-N 3.1Å; I26-L45 HydrophobicContact CD1-CD1 3.92Å; I26-L45 HydrophobicContact CG1-CD1 3.43Å; I26-L45 VanDerWaalsContact CG1-CD1 3.43Å; I26-L45 HydrophobicContact CG1-CD2 4.2Å; I26-L45 HydrophobicContact CG1-CG 4.47Å; I26-L144 HydrophobicContact CD1-CD2 3.82Å; I26-L144 HydrophobicContact CG2-CD1 3.46Å; I26-L144 VanDerWaalsContact CG2-CD1 3.46Å; I26-L144 HydrophobicContact CG2-CD2 4.38Å; I26-L144 HydrophobicContact CG2-CG 4.38Å
27	G	47.9	Very low	47.7	Very low	39 Å²	39	72.8 Å²	72.8	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-44.7	175.1	0	0	0	0	0	112.4	M23 L24 F30 R31	M23-G27 PolarHBondContact O-N 2.79Å; L24-G27 PolarHBondContact O-N 2.79Å; G27-F30 PolarHBondContact O-N 3.46Å; G27-R31 VanDerWaalsContact O-CB 3.32Å; G27-R31 WeakPolarHBondContact O-CB 3.24Å; G27-R31 PolarHBondContact O-N 3.43Å
28	D	48.8	Very low	47.4	Very low	65 Å²	65	73 Å²	73	35%	0.348	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.2	-107.7	26.4	0	0	0	112.3	L24 F30 R31 K32	L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.31Å; D28-F30 PolarHBondContact O-N 2.88Å; D28-R31 PolarHBondContact O-N 3.11Å; D28-K32 WeakPolarHBondContact O-CB 2.91Å; D28-K32 PolarHBondContact O-N 2.9Å; D28-K32 IonicContact OD2-NZ 2.71Å; D28-K32 PolarHBondContact OD2-NZ 3.25Å
29	Y	47.9	Very low	47.1	Very low	43 Å²	43	79.3 Å²	79.3	17%	0.169	42%	0.417	C	S	.	.	H	α-helix	trans	-58.9	-45.1	174.8	175.7	-92.2	0	0	0	111.8	C25 I26 K33	C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 2.82Å; I26-Y29 WeakPolarHBondContact O-CB 3.48Å; I26-Y29 PolarHBondContact O-N 2.83Å; Y29-K33 PolarHBondContact OH-NZ 3.03Å; Y29-K33 VanDerWaalsContact OH-NZ 3.1Å
30	F	48.9	Very low	46.5	Very low	45 Å²	45	86 Å²	86	20%	0.197	45%	0.452	C	S	.	.	H	α-helix	trans	-75.7	-30.5	178.7	-73.1	-68.4	0	0	0	113	I26 G27 D28 V137 Q141 L144	I26-F30 HydrophobicContact CG2-CD2 3.89Å; I26-F30 HydrophobicContact CG2-CE2 3.7Å; I26-F30 WeakPolarHBondContact O-CD2 3.36Å; I26-F30 PolarHBondContact O-N 3.34Å; I26-F30 VanDerWaalsContact O-N 3.1Å; G27-F30 PolarHBondContact O-N 3.46Å; D28-F30 PolarHBondContact O-N 2.88Å; F30-V137 HydrophobicContact CD1-CG1 4.13Å; F30-V137 HydrophobicContact CE1-CG1 3.98Å; F30-Q141 HydrophobicContact CD1-CG 4.22Å; F30-Q141 HydrophobicContact CD2-CG 4.34Å; F30-Q141 HydrophobicContact CE1-CG 4.19Å; F30-Q141 HydrophobicContact CE2-CG 4.32Å; F30-Q141 HydrophobicContact CG-CG 4.31Å; F30-Q141 HydrophobicContact CZ-CG 4.25Å; F30-L144 HydrophobicContact CE2-CD1 3.65Å; F30-L144 HydrophobicContact CZ-CD1 4.22Å
31	R	46.7	Very low	46	Very low	207 Å²	207	84.6 Å²	84.6	78%	0.781	44%	0.444	S	S	*	.	H	α-helix	trans	-76.8	-34.5	179.5	-158.5	179	-149.8	-173.6	5.3	113.3	G27 D28	G27-R31 VanDerWaalsContact O-CB 3.32Å; G27-R31 WeakPolarHBondContact O-CB 3.24Å; G27-R31 PolarHBondContact O-N 3.43Å; D28-R31 PolarHBondContact O-N 3.11Å
32	K	44.1	Very low	45.5	Very low	121 Å²	121	85 Å²	85	53%	0.526	45%	0.448	S	S	.	.	H	α-helix	trans	-86.9	-4.9	-177.4	-77.8	171.2	174.8	154.8	0	114.2	D28 T34 S35	D28-K32 WeakPolarHBondContact O-CB 2.91Å; D28-K32 PolarHBondContact O-N 2.9Å; D28-K32 IonicContact OD2-NZ 2.71Å; D28-K32 PolarHBondContact OD2-NZ 3.25Å; K32-T34 PolarHBondContact O-N 3.24Å; K32-S35 CarbonylContact O-C 3.47Å; K32-S35 PolarHBondContact O-N 3.45Å
33	K	44.8	Very low	45.2	Very low	75 Å²	75	90.9 Å²	90.9	33%	0.326	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	6.6	-178.5	-149.1	170.8	-178.4	170.8	0	115.1	Y29 L132	Y29-K33 PolarHBondContact OH-NZ 3.03Å; Y29-K33 VanDerWaalsContact OH-NZ 3.1Å; K33-L132 VanDerWaalsContact NZ-CD1 3.28Å
34	T	42.7	Very low	44.9	Very low	137 Å²	137	90.8 Å²	90.8	84%	0.84	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.6	161.8	46.8	0	0	0	0	113.3	K32	K32-T34 PolarHBondContact O-N 3.24Å
35	S	34.2	Very low	44.6	Very low	86 Å²	86	86.2 Å²	86.2	60%	0.601	46%	0.456	S	S	*	.	S	Bend	trans	-151.8	123.8	-173.7	178	0	0	0	0	111.5	K32 K37	K32-S35 CarbonylContact O-C 3.47Å; K32-S35 PolarHBondContact O-N 3.45Å; S35-K37 PolarHBondContact O-N 2.81Å
36	S	33.7	Very low	44.5	Very low	111 Å²	111	87.1 Å²	87.1	78%	0.776	46%	0.458	S	S	*	.	S	Bend	trans	-54.8	124.2	-170.6	56.1	0	0	0	0	115.3
37	K	40.9	Very low	44.4	Very low	202 Å²	202	91.1 Å²	91.1	88%	0.878	48%	0.479	S	S	*	.			trans	162.2	85.6	147	-91.3	170	-177.6	-178.6	0	110.2	S35	S35-K37 PolarHBondContact O-N 2.81Å
38	T	45.9	Very low	44.4	Very low	53 Å²	53	90.8 Å²	90.8	33%	0.325	47%	0.469	S	S	.	.			trans	-106	-12.3	-164.2	31.4	0	0	0	0	117.1
39	E	42.4	Very low	44.4	Very low	150 Å²	150	88.1 Å²	88.1	70%	0.701	45%	0.454	S	S	*	.	H	α-helix	trans	-84.3	-33.3	-167.2	-143.9	179.4	169.6	0	0	114.7	C41 K43	E39-C41 PolarHBondContact O-N 3.36Å; E39-K43 PolarHBondContact O-N 2.91Å
40	L	41.6	Very low	44.5	Very low	157 Å²	157	88.5 Å²	88.5	82%	0.822	46%	0.463	S	S	*	.	H	α-helix	trans	-69.2	-34.2	-178	-126.7	88.9	0	0	0	112.8	G44	L40-G44 PolarHBondContact O-N 2.96Å
41	C	41.4	Very low	44.6	Very low	42 Å²	42	88 Å²	88	28%	0.284	46%	0.464	S	S	.	.	H	α-helix	trans	-74.5	-38.2	-175.8	-162.5	0	0	0	0	111.9	E39 G44 L45	E39-C41 PolarHBondContact O-N 3.36Å; C41-G44 PolarHBondContact O-N 3.29Å; C41-L45 PolarHBondContact O-N 2.88Å
42	C	40.4	Very low	44.7	Very low	49 Å²	49	78.7 Å²	78.7	33%	0.331	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-42.1	173.9	-73.5	0	0	0	0	112.2	G44 L45 I46	C42-G44 VanDerWaalsContact C-N 3.35Å; C42-G44 PolarHBondContact O-N 3Å; C42-L45 PolarHBondContact O-N 3.24Å; C42-I46 WeakPolarHBondContact O-CB 3.39Å; C42-I46 VanDerWaalsContact O-CG1 3.24Å; C42-I46 WeakPolarHBondContact O-CG1 3.37Å; C42-I46 PolarHBondContact O-N 3.42Å
43	K	47	Very low	45.1	Very low	131 Å²	131	77.9 Å²	77.9	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-61.9	-41.7	175.1	-76.8	-179	179.1	172.4	0	111.9	E39 I46 N47	E39-K43 PolarHBondContact O-N 2.91Å; K43-I46 PolarHBondContact O-N 3.44Å; K43-N47 WeakPolarHBondContact O-CB 3.34Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 2.7Å
44	G	47.4	Very low	45.5	Very low	27 Å²	27	79.8 Å²	79.8	28%	0.278	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-43.8	174.3	0	0	0	0	0	113	L40 C41 C42 N47 N48	L40-G44 PolarHBondContact O-N 2.96Å; C41-G44 PolarHBondContact O-N 3.29Å; C42-G44 VanDerWaalsContact C-N 3.35Å; C42-G44 PolarHBondContact O-N 3Å; G44-N47 PolarHBondContact O-N 3.08Å; G44-N48 WeakPolarHBondContact O-CB 3.45Å; G44-N48 PolarHBondContact O-N 3.18Å; G44-N48 PolarHBondContact O-ND2 3.24Å
45	L	45.5	Very low	45.8	Very low	27 Å²	27	73.5 Å²	73.5	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-47.4	176.6	-167.6	78.3	0	0	0	111.8	L22 C25 I26 C41 C42 N47 N48 V49	L22-L45 HydrophobicContact CD1-CD1 3.68Å; L22-L45 HydrophobicContact CD1-CG 4.37Å; L22-L45 HydrophobicContact CG-CD1 3.75Å; C25-L45 HydrophobicContact CB-CD1 4.01Å; I26-L45 HydrophobicContact CD1-CD1 3.92Å; I26-L45 HydrophobicContact CG1-CD1 3.43Å; I26-L45 VanDerWaalsContact CG1-CD1 3.43Å; I26-L45 HydrophobicContact CG1-CD2 4.2Å; I26-L45 HydrophobicContact CG1-CG 4.47Å; C41-L45 PolarHBondContact O-N 2.88Å; C42-L45 PolarHBondContact O-N 3.24Å; L45-N47 PolarHBondContact O-N 2.95Å; L45-N48 PolarHBondContact O-N 2.76Å; L45-V49 WeakPolarHBondContact O-CG2 3.35Å; L45-V49 PolarHBondContact O-N 3.5Å
46	I	49.4	Very low	46.5	Very low	48 Å²	48	69.9 Å²	69.9	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-44.7	179.5	-70.9	170.6	0	0	0	111.1	C42 K43 V49 S50 R125	C42-I46 WeakPolarHBondContact O-CB 3.39Å; C42-I46 VanDerWaalsContact O-CG1 3.24Å; C42-I46 WeakPolarHBondContact O-CG1 3.37Å; C42-I46 PolarHBondContact O-N 3.42Å; K43-I46 PolarHBondContact O-N 3.44Å; I46-V49 PolarHBondContact O-N 2.93Å; I46-S50 PolarHBondContact O-N 3.36Å; I46-S50 PolarHBondContact O-OG 3.42Å; I46-R125 HydrophobicContact CD1-CG 4.1Å
47	N	51.5	Low	47.4	Very low	98 Å²	98	69 Å²	69	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-39.8	177.5	-75.7	-12.9	0	0	0	112.1	K43 G44 L45 S50 V51	K43-N47 WeakPolarHBondContact O-CB 3.34Å; K43-N47 VanDerWaalsContact O-CG 3.32Å; K43-N47 PolarHBondContact O-N 2.7Å; G44-N47 PolarHBondContact O-N 3.08Å; L45-N47 PolarHBondContact O-N 2.95Å; N47-S50 WeakPolarHBondContact CA-OG 3.48Å; N47-S50 PolarHBondContact O-N 3.46Å; N47-S50 PolarHBondContact O-OG 3.08Å; N47-V51 VanDerWaalsContact O-CG2 3.26Å; N47-V51 WeakPolarHBondContact O-CG2 3.32Å; N47-V51 PolarHBondContact O-N 3.15Å
48	N	47.5	Very low	48	Very low	33 Å²	33	63.2 Å²	63.2	18%	0.176	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-38.5	177.7	-70.5	-16.1	0	0	0	111.9	L22 G44 L45 V51 A52	L22-N48 HydrophobicContact CD1-CB 3.71Å; G44-N48 WeakPolarHBondContact O-CB 3.45Å; G44-N48 PolarHBondContact O-N 3.18Å; G44-N48 PolarHBondContact O-ND2 3.24Å; L45-N48 PolarHBondContact O-N 2.76Å; N48-V51 PolarHBondContact O-N 3.11Å; N48-A52 WeakPolarHBondContact O-CB 3.5Å; N48-A52 PolarHBondContact O-N 2.73Å
49	V	49	Very low	47.9	Very low	8 Å²	8	60.9 Å²	60.9	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-39.3	173.8	174.9	0	0	0	0	111.3	L22 L45 I46 A52 K53	L22-V49 HydrophobicContact CD1-CG2 3.77Å; L22-V49 HydrophobicContact CD2-CG2 4.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.35Å; L45-V49 PolarHBondContact O-N 3.5Å; I46-V49 PolarHBondContact O-N 2.93Å; V49-A52 PolarHBondContact O-N 3.24Å; V49-K53 WeakPolarHBondContact O-CB 3.48Å; V49-K53 PolarHBondContact O-N 3.22Å
50	S	50.2	Low	48.2	Very low	51 Å²	51	56.3 Å²	56.3	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-38.7	176.4	58.7	0	0	0	0	112.6	I46 N47 A52 K53 E54	I46-S50 PolarHBondContact O-N 3.36Å; I46-S50 PolarHBondContact O-OG 3.42Å; N47-S50 WeakPolarHBondContact CA-OG 3.48Å; N47-S50 PolarHBondContact O-N 3.46Å; N47-S50 PolarHBondContact O-OG 3.08Å; S50-A52 VanDerWaalsContact C-N 3.35Å; S50-K53 WeakPolarHBondContact O-CB 3.37Å; S50-K53 PolarHBondContact O-N 3.46Å; S50-E54 PolarHBondContact O-N 2.78Å
51	V	49.7	Very low	48.8	Very low	35 Å²	35	52.1 Å²	52.1	21%	0.212	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-41.2	174.1	171.1	0	0	0	0	110.9	L18 N47 N48 K53 E54 G55 P578	L18-V51 HydrophobicContact CD1-CG1 4.27Å; N47-V51 VanDerWaalsContact O-CG2 3.26Å; N47-V51 WeakPolarHBondContact O-CG2 3.32Å; N47-V51 PolarHBondContact O-N 3.15Å; N48-V51 PolarHBondContact O-N 3.11Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 2.84Å; V51-E54 PolarHBondContact O-N 3Å; V51-G55 PolarHBondContact O-N 3.43Å; V51-P578 HydrophobicContact CG1-CG 4.31Å
52	A	49.6	Very low	49.2	Very low	12 Å²	12	51.6 Å²	51.6	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-41.4	173.9	0	0	0	0	0	111.4	W15 N48 V49 S50 G55 V56 L114	W15-A52 HydrophobicContact CH2-CB 3.81Å; W15-A52 VanDerWaalsContact CH2-O 3.23Å; W15-A52 WeakPolarHBondContact CH2-O 3.27Å; W15-A52 WeakPolarHBondContact CZ2-O 3.26Å; W15-A52 HydrophobicContact CZ3-CB 4.02Å; N48-A52 WeakPolarHBondContact O-CB 3.5Å; N48-A52 PolarHBondContact O-N 2.73Å; V49-A52 PolarHBondContact O-N 3.24Å; S50-A52 VanDerWaalsContact C-N 3.35Å; A52-G55 WeakPolarHBondContact O-CA 3.47Å; A52-G55 PolarHBondContact O-N 3.49Å; A52-V56 PolarHBondContact O-N 3.1Å; A52-L114 HydrophobicContact CB-CD1 4.47Å; A52-L114 HydrophobicContact CB-CD2 4.26Å
53	K	53	Low	49.5	Very low	104 Å²	104	50.8 Å²	50.8	45%	0.452	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-44.4	176.4	-176	-178.1	176.3	-176.2	0	112.8	V49 S50 V51 G55 V56 D57	V49-K53 WeakPolarHBondContact O-CB 3.48Å; V49-K53 PolarHBondContact O-N 3.22Å; S50-K53 WeakPolarHBondContact O-CB 3.37Å; S50-K53 PolarHBondContact O-N 3.46Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 2.84Å; K53-G55 PolarHBondContact O-N 2.8Å; K53-V56 PolarHBondContact O-N 2.97Å; K53-D57 VanDerWaalsContact CE-OD2 3.31Å; K53-D57 WeakPolarHBondContact CE-OD2 3Å; K53-D57 PolarHBondContact O-N 3.3Å
54	E	53	Low	49.7	Very low	115 Å²	115	46.7 Å²	46.7	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-58	-37.7	174.6	-75.1	-177.4	-178.7	0	0	111.7	S50 V51	S50-E54 PolarHBondContact O-N 2.78Å; V51-E54 PolarHBondContact O-N 3Å
55	G	49	Very low	49.7	Very low	5 Å²	5	51.8 Å²	51.8	5%	0.052	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-42.5	171.1	0	0	0	0	0	113.2	V51 A52 K53 V59	V51-G55 PolarHBondContact O-N 3.43Å; A52-G55 WeakPolarHBondContact O-CA 3.47Å; A52-G55 PolarHBondContact O-N 3.49Å; K53-G55 PolarHBondContact O-N 2.8Å; G55-V59 WeakPolarHBondContact O-CG2 3.47Å; G55-V59 PolarHBondContact O-N 2.98Å
56	V	48.6	Very low	49.6	Very low	9 Å²	9	51.2 Å²	51.2	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-52.9	176.5	175.8	0	0	0	0	111.3	W15 A52 K53 W58 V59 P60 Q111 L114	W15-V56 HydrophobicContact CH2-CG2 3.35Å; W15-V56 HydrophobicContact CZ2-CB 4.19Å; W15-V56 HydrophobicContact CZ2-CG2 3.12Å; A52-V56 PolarHBondContact O-N 3.1Å; K53-V56 PolarHBondContact O-N 2.97Å; V56-W58 PolarHBondContact O-N 3.22Å; V56-W58 VanDerWaalsContact O-N 3.14Å; V56-V59 PolarHBondContact O-N 3.46Å; V56-V59 VanDerWaalsContact O-N 3.09Å; V56-P60 WeakPolarHBondContact O-CD 3.25Å; V56-Q111 HydrophobicContact CG1-CB 4.39Å; V56-Q111 HydrophobicContact CG1-CG 4.09Å; V56-L114 HydrophobicContact CB-CD2 4.31Å; V56-L114 HydrophobicContact CG2-CB 4.37Å; V56-L114 HydrophobicContact CG2-CD2 3.11Å; V56-L114 HydrophobicContact CG2-CG 4.33Å
57	D	51.7	Low	49.5	Very low	93 Å²	93	56.6 Å²	56.6	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-27.7	-167.8	-69.5	-18.7	0	0	0	111.6	K53 T61	K53-D57 VanDerWaalsContact CE-OD2 3.31Å; K53-D57 WeakPolarHBondContact CE-OD2 3Å; K53-D57 PolarHBondContact O-N 3.3Å; D57-T61 PolarHBondContact O-OG1 3.35Å
58	W	54.6	Low	49.5	Very low	81 Å²	81	59.5 Å²	59.5	31%	0.307	29%	0.286	S	S	.	.	H	α-helix	trans	-78.3	-34	177.3	-171.6	84.2	0	0	0	113.6	L10 L14 V56 T61 Q62 I527	L10-W58 HydrophobicContact CD2-CH2 3.74Å; L10-W58 HydrophobicContact CD2-CZ3 3.97Å; L14-W58 HydrophobicContact CD1-CZ3 4.4Å; V56-W58 PolarHBondContact O-N 3.22Å; V56-W58 VanDerWaalsContact O-N 3.14Å; W58-T61 WeakPolarHBondContact O-CB 3.42Å; W58-T61 PolarHBondContact O-N 3.16Å; W58-T61 VanDerWaalsContact O-N 3.13Å; W58-Q62 HydrophobicContact CD2-CG 3.54Å; W58-Q62 HydrophobicContact CE3-CB 4.4Å; W58-Q62 HydrophobicContact CE3-CG 3.59Å; W58-Q62 HydrophobicContact CG-CG 4.4Å; W58-Q62 HydrophobicContact CH2-CB 4.39Å; W58-Q62 HydrophobicContact CH2-CG 3.42Å; W58-Q62 VanDerWaalsContact CH2-CG 3.42Å; W58-Q62 HydrophobicContact CZ2-CG 3.32Å; W58-Q62 HydrophobicContact CZ3-CB 4.25Å; W58-Q62 HydrophobicContact CZ3-CG 3.53Å; W58-Q62 VanDerWaalsContact NE1-NE2 3.2Å; W58-Q62 PolarHBondContact O-N 3.04Å; W58-I527 HydrophobicContact CE3-CD1 4.5Å; W58-I527 HydrophobicContact CH2-CD1 3.38Å; W58-I527 HydrophobicContact CH2-CG1 3.85Å; W58-I527 HydrophobicContact CZ2-CD1 3.83Å; W58-I527 HydrophobicContact CZ2-CG1 3.9Å; W58-I527 HydrophobicContact CZ3-CD1 3.79Å
59	V	44.4	Very low	49.2	Very low	3 Å²	3	62.5 Å²	62.5	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-45.6	-171.9	167.5	0	0	0	0	113.6	L14 G55 V56 T61 Q62 I63 I107	L14-V59 HydrophobicContact CD1-CG2 3.73Å; G55-V59 WeakPolarHBondContact O-CG2 3.47Å; G55-V59 PolarHBondContact O-N 2.98Å; V56-V59 PolarHBondContact O-N 3.46Å; V56-V59 VanDerWaalsContact O-N 3.09Å; V59-T61 PolarHBondContact O-N 3.33Å; V59-Q62 PolarHBondContact O-N 3.11Å; V59-I63 HydrophobicContact CG1-CD1 3.38Å; V59-I63 HydrophobicContact CG1-CG1 3.99Å; V59-I63 WeakPolarHBondContact O-CB 3.25Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.38Å; V59-I63 PolarHBondContact O-N 2.89Å; V59-I107 HydrophobicContact CG1-CG2 4.06Å
60	P	47.7	Very low	48.9	Very low	55 Å²	55	64 Å²	64	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-58.3	-36.4	172.6	-22.7	30.6	0	0	0	112.6	V56 S64	V56-P60 WeakPolarHBondContact O-CD 3.25Å; P60-S64 VanDerWaalsContact O-CB 3.25Å; P60-S64 WeakPolarHBondContact O-CB 3.38Å; P60-S64 PolarHBondContact O-N 3.05Å; P60-S64 PolarHBondContact O-OG 3.45Å
61	T	53.7	Low	48.7	Very low	69 Å²	69	64.4 Å²	64.4	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-38.8	179.7	-48.6	0	0	0	0	111	D57 W58 V59 S64 R65	D57-T61 PolarHBondContact O-OG1 3.35Å; W58-T61 WeakPolarHBondContact O-CB 3.42Å; W58-T61 PolarHBondContact O-N 3.16Å; W58-T61 VanDerWaalsContact O-N 3.13Å; V59-T61 PolarHBondContact O-N 3.33Å; T61-S64 PolarHBondContact O-OG 3.49Å; T61-R65 WeakPolarHBondContact O-CG 3.4Å; T61-R65 PolarHBondContact O-N 3.37Å
62	Q	50.6	Low	48.3	Very low	30 Å²	30	68.7 Å²	68.7	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-79.6	-38	174.4	-61.3	-54.2	-26.4	0	0	113.5	W58 V59 S64 R65 L66	W58-Q62 HydrophobicContact CD2-CG 3.54Å; W58-Q62 HydrophobicContact CE3-CB 4.4Å; W58-Q62 HydrophobicContact CE3-CG 3.59Å; W58-Q62 HydrophobicContact CG-CG 4.4Å; W58-Q62 HydrophobicContact CH2-CB 4.39Å; W58-Q62 HydrophobicContact CH2-CG 3.42Å; W58-Q62 VanDerWaalsContact CH2-CG 3.42Å; W58-Q62 HydrophobicContact CZ2-CG 3.32Å; W58-Q62 HydrophobicContact CZ3-CB 4.25Å; W58-Q62 HydrophobicContact CZ3-CG 3.53Å; W58-Q62 VanDerWaalsContact NE1-NE2 3.2Å; W58-Q62 PolarHBondContact O-N 3.04Å; V59-Q62 PolarHBondContact O-N 3.11Å; Q62-S64 VanDerWaalsContact C-N 3.26Å; Q62-S64 PolarHBondContact O-N 3.37Å; Q62-R65 CarbonylContact O-C 3.5Å; Q62-R65 WeakPolarHBondContact O-CB 3.5Å; Q62-R65 PolarHBondContact O-N 2.8Å; Q62-R65 VanDerWaalsContact O-N 3.14Å; Q62-L66 VanDerWaalsContact O-CB 3.23Å; Q62-L66 WeakPolarHBondContact O-CB 3.38Å; Q62-L66 WeakPolarHBondContact O-CG 3.31Å; Q62-L66 PolarHBondContact O-N 3.49Å
63	I	47.5	Very low	47.9	Very low	32 Å²	32	70.9 Å²	70.9	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-37.8	174.8	-72	176.9	0	0	0	110.4	V59 L66 R67 L104 I107	V59-I63 HydrophobicContact CG1-CD1 3.38Å; V59-I63 HydrophobicContact CG1-CG1 3.99Å; V59-I63 WeakPolarHBondContact O-CB 3.25Å; V59-I63 VanDerWaalsContact O-CG1 3.27Å; V59-I63 WeakPolarHBondContact O-CG1 3.38Å; V59-I63 PolarHBondContact O-N 2.89Å; I63-L66 WeakPolarHBondContact O-CB 3.38Å; I63-R67 VanDerWaalsContact O-CB 3.25Å; I63-R67 WeakPolarHBondContact O-CB 3.43Å; I63-R67 PolarHBondContact O-N 3.21Å; I63-L104 HydrophobicContact CD1-CD2 4.32Å; I63-L104 HydrophobicContact CG2-CD2 3.81Å; I63-I107 HydrophobicContact CD1-CD1 4.39Å; I63-I107 HydrophobicContact CD1-CG2 3.71Å
64	S	49.3	Very low	47.5	Very low	46 Å²	46	71.2 Å²	71.2	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-72	-32.8	174.5	66.7	0	0	0	0	113.2	P60 T61 Q62 R68	P60-S64 VanDerWaalsContact O-CB 3.25Å; P60-S64 WeakPolarHBondContact O-CB 3.38Å; P60-S64 PolarHBondContact O-N 3.05Å; P60-S64 PolarHBondContact O-OG 3.45Å; T61-S64 PolarHBondContact O-OG 3.49Å; Q62-S64 VanDerWaalsContact C-N 3.26Å; Q62-S64 PolarHBondContact O-N 3.37Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.79Å; S64-R68 VanDerWaalsContact O-N 3.09Å; S64-R68 PolarHBondContact O-NE 3.37Å
65	R	49.2	Very low	46.8	Very low	133 Å²	133	73.5 Å²	73.5	50%	0.502	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-45.4	170.4	-80.2	178.8	175.4	-173.7	0.1	111.4	T61 Q62 R68 L69	T61-R65 WeakPolarHBondContact O-CG 3.4Å; T61-R65 PolarHBondContact O-N 3.37Å; Q62-R65 CarbonylContact O-C 3.5Å; Q62-R65 WeakPolarHBondContact O-CB 3.5Å; Q62-R65 PolarHBondContact O-N 2.8Å; Q62-R65 VanDerWaalsContact O-N 3.14Å; R65-R68 WeakPolarHBondContact O-CB 3.43Å; R65-R68 PolarHBondContact O-N 2.86Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 2.97Å
66	L	42.4	Very low	46.4	Very low	15 Å²	15	77.1 Å²	77.1	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-55.5	-53.2	172.4	-86.3	164.4	0	0	0	111.3	E7 Q62 I63 R68 L69 F70	E7-L66 HydrophobicContact CB-CD1 3.85Å; E7-L66 HydrophobicContact CB-CD2 3.13Å; E7-L66 HydrophobicContact CB-CG 3.8Å; E7-L66 HydrophobicContact CG-CD2 4.1Å; E7-L66 WeakPolarHBondContact O-CD1 3.22Å; E7-L66 VanDerWaalsContact OE2-CD2 3.31Å; E7-L66 WeakPolarHBondContact OE2-CD2 3.37Å; Q62-L66 VanDerWaalsContact O-CB 3.23Å; Q62-L66 WeakPolarHBondContact O-CB 3.38Å; Q62-L66 WeakPolarHBondContact O-CG 3.31Å; Q62-L66 PolarHBondContact O-N 3.49Å; I63-L66 WeakPolarHBondContact O-CB 3.38Å; L66-R68 VanDerWaalsContact C-N 3.26Å; L66-R68 PolarHBondContact O-N 3.1Å; L66-L69 PolarHBondContact O-N 3.29Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L66-F70 HydrophobicContact CB-CD2 4.2Å; L66-F70 HydrophobicContact CB-CE2 4.23Å; L66-F70 HydrophobicContact CD2-CD2 4.07Å; L66-F70 HydrophobicContact CD2-CE2 3.4Å; L66-F70 VanDerWaalsContact CD2-CE2 3.4Å; L66-F70 HydrophobicContact CD2-CZ 4.23Å; L66-F70 HydrophobicContact CG-CE2 4.47Å; L66-F70 WeakPolarHBondContact O-CB 3.08Å; L66-F70 WeakPolarHBondContact O-CD2 3.45Å; L66-F70 WeakPolarHBondContact O-CG 3.4Å; L66-F70 PolarHBondContact O-N 2.85Å
67	R	47.6	Very low	45.7	Very low	162 Å²	162	79.9 Å²	79.9	61%	0.611	38%	0.38	S	S	*	.	H	α-helix	trans	-53.7	-44.8	176.8	-164.7	-179.8	-155.4	173.6	7.4	111	I63 F70 D71	I63-R67 VanDerWaalsContact O-CB 3.25Å; I63-R67 WeakPolarHBondContact O-CB 3.43Å; I63-R67 PolarHBondContact O-N 3.21Å; R67-F70 PolarHBondContact O-N 3.09Å; R67-D71 WeakPolarHBondContact O-CB 3.21Å; R67-D71 PolarHBondContact O-N 2.94Å
68	R	51.6	Low	44.9	Very low	159 Å²	159	81.8 Å²	81.8	60%	0.6	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-42.8	175.5	-78.4	-177.6	-78.6	-166.3	-5.3	113.6	S64 R65 L66 F70 F72	S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.79Å; S64-R68 VanDerWaalsContact O-N 3.09Å; S64-R68 PolarHBondContact O-NE 3.37Å; R65-R68 WeakPolarHBondContact O-CB 3.43Å; R65-R68 PolarHBondContact O-N 2.86Å; L66-R68 VanDerWaalsContact C-N 3.26Å; L66-R68 PolarHBondContact O-N 3.1Å; R68-F70 VanDerWaalsContact C-N 3.29Å; R68-F70 PolarHBondContact O-N 2.74Å; R68-F72 WeakPolarHBondContact O-CB 3.25Å; R68-F72 PolarHBondContact O-N 3.28Å
69	L	41.8	Very low	44.2	Very low	96 Å²	96	85.9 Å²	85.9	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-33.9	176.5	-71.9	171.7	0	0	0	111.8	R65 L66 S73	R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 2.97Å; L66-L69 PolarHBondContact O-N 3.29Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L69-S73 PolarHBondContact O-N 3.44Å
70	F	41.2	Very low	43.8	Very low	38 Å²	38	90.1 Å²	90.1	17%	0.167	43%	0.434	C	S	.	.	H	α-helix	trans	-75.7	-43.5	175.8	-76.9	-63.9	0	0	0	112.4	S4 L66 R67 R68 F72 S73 E74	S4-F70 WeakPolarHBondContact OG-CE1 3.3Å; L66-F70 HydrophobicContact CB-CD2 4.2Å; L66-F70 HydrophobicContact CB-CE2 4.23Å; L66-F70 HydrophobicContact CD2-CD2 4.07Å; L66-F70 HydrophobicContact CD2-CE2 3.4Å; L66-F70 VanDerWaalsContact CD2-CE2 3.4Å; L66-F70 HydrophobicContact CD2-CZ 4.23Å; L66-F70 HydrophobicContact CG-CE2 4.47Å; L66-F70 WeakPolarHBondContact O-CB 3.08Å; L66-F70 WeakPolarHBondContact O-CD2 3.45Å; L66-F70 WeakPolarHBondContact O-CG 3.4Å; L66-F70 PolarHBondContact O-N 2.85Å; R67-F70 PolarHBondContact O-N 3.09Å; R68-F70 VanDerWaalsContact C-N 3.29Å; R68-F70 PolarHBondContact O-N 2.74Å; F70-F72 PolarHBondContact O-N 3.14Å; F70-S73 PolarHBondContact O-N 3.25Å; F70-S73 VanDerWaalsContact O-N 3.11Å; F70-S73 PolarHBondContact O-OG 3.2Å; F70-E74 PolarHBondContact O-N 3.49Å
71	D	46.2	Very low	43.3	Very low	61 Å²	61	90.2 Å²	90.2	33%	0.326	43%	0.433	S	S	.	.	H	α-helix	trans	-63.7	-25.2	172.5	-65	-13.6	0	0	0	111.3	R67 R75	R67-D71 WeakPolarHBondContact O-CB 3.21Å; R67-D71 PolarHBondContact O-N 2.94Å; D71-R75 PolarHBondContact O-N 3.38Å; D71-R75 PolarHBondContact O-NE 3.02Å
72	F	42.7	Very low	42.6	Very low	125 Å²	125	97.5 Å²	97.5	55%	0.548	45%	0.453	S	S	.	.	H	α-helix	trans	-78	-40.3	172	-171.2	-103.1	0	0	0	112.1	R68 F70 E74 R75 I76	R68-F72 WeakPolarHBondContact O-CB 3.25Å; R68-F72 PolarHBondContact O-N 3.28Å; F70-F72 PolarHBondContact O-N 3.14Å; F72-E74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 2.99Å; F72-I76 HydrophobicContact CD1-CD1 3.79Å; F72-I76 HydrophobicContact CD1-CG1 4.41Å; F72-I76 HydrophobicContact CE1-CD1 3.26Å; F72-I76 HydrophobicContact CE1-CG1 4.15Å; F72-I76 HydrophobicContact CZ-CD1 3.78Å; F72-I76 HydrophobicContact CZ-CG1 4.4Å; F72-I76 WeakPolarHBondContact O-CG1 3.17Å; F72-I76 PolarHBondContact O-N 2.92Å
73	S	41.1	Very low	41.9	Very low	57 Å²	57	103.4 Å²	103.4	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-68.1	-33.4	175.3	80.5	0	0	0	0	112.3	L69 F70 I76 S77	L69-S73 PolarHBondContact O-N 3.44Å; F70-S73 PolarHBondContact O-N 3.25Å; F70-S73 VanDerWaalsContact O-N 3.11Å; F70-S73 PolarHBondContact O-OG 3.2Å; S73-I76 PolarHBondContact O-N 3.11Å; S73-S77 VanDerWaalsContact O-CB 3.27Å; S73-S77 WeakPolarHBondContact O-CB 3.38Å; S73-S77 PolarHBondContact O-N 3.37Å
74	E	43.1	Very low	41.4	Very low	111 Å²	111	106.9 Å²	106.9	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-44.6	169.7	-116.6	-168.8	176.8	0	0	111.1	F70 F72 I76 S77 M78	F70-E74 PolarHBondContact O-N 3.49Å; F72-E74 VanDerWaalsContact C-N 3.35Å; E74-I76 PolarHBondContact O-N 3.2Å; E74-S77 PolarHBondContact O-N 3.04Å; E74-M78 WeakPolarHBondContact O-CB 3.16Å; E74-M78 VanDerWaalsContact O-CG 3.3Å; E74-M78 WeakPolarHBondContact O-CG 3.32Å; E74-M78 PolarHBondContact O-N 3.4Å
75	R	39.6	Very low	40.6	Very low	163 Å²	163	114 Å²	114	62%	0.615	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-35.6	176.7	-95.4	-176.5	-89.6	-147.5	-5.8	113.3	D71 F72 K79	D71-R75 PolarHBondContact O-N 3.38Å; D71-R75 PolarHBondContact O-NE 3.02Å; F72-R75 PolarHBondContact O-N 2.99Å; R75-K79 VanDerWaalsContact O-CB 3.3Å; R75-K79 WeakPolarHBondContact O-CB 3.46Å; R75-K79 WeakPolarHBondContact O-CG 3.22Å; R75-K79 PolarHBondContact O-N 3.38Å
76	I	40.2	Very low	39.8	Very low	82 Å²	82	111 Å²	111	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-71.4	-47.1	173	-70.1	-178.1	0	0	0	109.9	F72 S73 E74 M78 K79 T80	F72-I76 HydrophobicContact CD1-CD1 3.79Å; F72-I76 HydrophobicContact CD1-CG1 4.41Å; F72-I76 HydrophobicContact CE1-CD1 3.26Å; F72-I76 HydrophobicContact CE1-CG1 4.15Å; F72-I76 HydrophobicContact CZ-CD1 3.78Å; F72-I76 HydrophobicContact CZ-CG1 4.4Å; F72-I76 WeakPolarHBondContact O-CG1 3.17Å; F72-I76 PolarHBondContact O-N 2.92Å; S73-I76 PolarHBondContact O-N 3.11Å; E74-I76 PolarHBondContact O-N 3.2Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 2.85Å; I76-K79 PolarHBondContact O-N 3.17Å; I76-K79 VanDerWaalsContact O-N 3.12Å; I76-T80 WeakPolarHBondContact O-CB 3.45Å; I76-T80 PolarHBondContact O-N 3.31Å; I76-T80 PolarHBondContact O-OG1 3.41Å
77	S	33.4	Very low	39.5	Very low	67 Å²	67	114.5 Å²	114.5	47%	0.469	55%	0.552	S	S	.	*	H	α-helix	trans	-54.6	-49.5	176.6	-173.6	0	0	0	0	110.5	S73 E74 K79 T80 T81	S73-S77 VanDerWaalsContact O-CB 3.27Å; S73-S77 WeakPolarHBondContact O-CB 3.38Å; S73-S77 PolarHBondContact O-N 3.37Å; E74-S77 PolarHBondContact O-N 3.04Å; S77-K79 PolarHBondContact O-N 3.16Å; S77-T80 PolarHBondContact O-N 3.03Å; S77-T81 WeakPolarHBondContact O-CB 3.31Å; S77-T81 VanDerWaalsContact O-CG2 3.26Å; S77-T81 WeakPolarHBondContact O-CG2 3.31Å; S77-T81 PolarHBondContact O-N 3.42Å; S77-T81 PolarHBondContact O-OG1 2.9Å
78	M	35.5	Very low	39.1	Very low	132 Å²	132	113.6 Å²	113.6	65%	0.65	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-30.1	178	-69.9	-172.5	83.6	0	0	114.6	E74 I76 T81	E74-M78 WeakPolarHBondContact O-CB 3.16Å; E74-M78 VanDerWaalsContact O-CG 3.3Å; E74-M78 WeakPolarHBondContact O-CG 3.32Å; E74-M78 PolarHBondContact O-N 3.4Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 2.85Å; M78-T81 WeakPolarHBondContact CA-OG1 3.13Å; M78-T81 PolarHBondContact O-OG1 2.97Å
79	K	38.7	Very low	39	Very low	168 Å²	168	114.1 Å²	114.1	73%	0.73	57%	0.568	S	S	*	*	H	α-helix	trans	-82.8	-33.7	176.7	-79.3	-176.6	175.7	-173.7	0	113.1	R75 I76 S77 T81	R75-K79 VanDerWaalsContact O-CB 3.3Å; R75-K79 WeakPolarHBondContact O-CB 3.46Å; R75-K79 WeakPolarHBondContact O-CG 3.22Å; R75-K79 PolarHBondContact O-N 3.38Å; I76-K79 PolarHBondContact O-N 3.17Å; I76-K79 VanDerWaalsContact O-N 3.12Å; S77-K79 PolarHBondContact O-N 3.16Å; K79-T81 VanDerWaalsContact C-N 3.35Å
80	T	37.3	Very low	39.4	Very low	92 Å²	92	116.1 Å²	116.1	56%	0.564	58%	0.58	S	S	*	*	H	α-helix	trans	-78.4	-22.7	176.9	-38.7	0	0	0	0	111.6	I76 S77 R82 N83	I76-T80 WeakPolarHBondContact O-CB 3.45Å; I76-T80 PolarHBondContact O-N 3.31Å; I76-T80 PolarHBondContact O-OG1 3.41Å; S77-T80 PolarHBondContact O-N 3.03Å; T80-R82 PolarHBondContact O-N 3.27Å; T80-N83 PolarHBondContact O-N 2.94Å
81	T	36.8	Very low	40.1	Very low	57 Å²	57	123.2 Å²	123.2	35%	0.35	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-0.1	173.4	40.8	0	0	0	0	115.8	S77 M78 K79 I86	S77-T81 WeakPolarHBondContact O-CB 3.31Å; S77-T81 VanDerWaalsContact O-CG2 3.26Å; S77-T81 WeakPolarHBondContact O-CG2 3.31Å; S77-T81 PolarHBondContact O-N 3.42Å; S77-T81 PolarHBondContact O-OG1 2.9Å; M78-T81 WeakPolarHBondContact CA-OG1 3.13Å; M78-T81 PolarHBondContact O-OG1 2.97Å; K79-T81 VanDerWaalsContact C-N 3.35Å; T81-I86 HydrophobicContact CG2-CD1 3.15Å; T81-I86 HydrophobicContact CG2-CG1 3.75Å
82	R	38.6	Very low	41.2	Very low	221 Å²	221	125.3 Å²	125.3	83%	0.834	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-10.7	172.1	-82.9	-174.8	175.6	173.1	-1.5	114.2	T80	T80-R82 PolarHBondContact O-N 3.27Å
83	N	37	Very low	42.8	Very low	154 Å²	154	120.3 Å²	120.3	82%	0.824	60%	0.599	S	S	*	*	S	Bend	trans	-133	16	-172.7	-82.5	-9	0	0	0	116.4	T80	T80-N83 PolarHBondContact O-N 2.94Å
84	V	36.1	Very low	44.8	Very low	106 Å²	106	124.6 Å²	124.6	64%	0.642	62%	0.616	S	S	*	*	S	Bend	trans	-142.8	131.1	174.6	-175.8	0	0	0	0	109.5	I86	V84-I86 PolarHBondContact O-N 3.42Å
85	Q	31.8	Very low	46.7	Very low	195 Å²	195	121.6 Å²	121.6	91%	0.911	61%	0.607	S	S	*	*			trans	-54.8	104.2	170	-90	170.4	-44.2	0	0	109.4	T87	Q85-T87 PolarHBondContact O-N 2.93Å
86	I	33.5	Very low	48.7	Very low	70 Å²	70	115.1 Å²	115.1	36%	0.359	58%	0.584	S	S	.	*			trans	-75.3	107.1	175.2	-57.1	159.1	0	0	0	106.9	T81 V84	T81-I86 HydrophobicContact CG2-CD1 3.15Å; T81-I86 HydrophobicContact CG2-CG1 3.75Å; V84-I86 PolarHBondContact O-N 3.42Å
87	T	35.6	Very low	50.8	Low	89 Å²	89	112.8 Å²	112.8	55%	0.546	57%	0.571	S	S	.	*			trans	-59.9	137.9	152.5	52.6	0	0	0	0	107.4	Q85 E89	Q85-T87 PolarHBondContact O-N 2.93Å; T87-E89 PolarHBondContact O-N 3.43Å
88	N	39.5	Very low	53.3	Low	143 Å²	143	111.7 Å²	111.7	77%	0.765	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-56.2	1.8	-173.8	-107.7	-17.5	0	0	0	115.7	N90	N88-N90 PolarHBondContact O-N 3.28Å
89	E	48.6	Very low	55.7	Low	169 Å²	169	105.4 Å²	105.4	79%	0.79	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-81.3	-9.1	-171.8	-65.7	-179.2	149.7	0	0	114.6	T87	T87-E89 PolarHBondContact O-N 3.43Å
90	N	50.8	Low	57.8	Low	139 Å²	139	99 Å²	99	74%	0.743	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-111.3	12.1	-173.9	-83.3	-30.9	0	0	0	115.8	N88	N88-N90 PolarHBondContact O-N 3.28Å
91	R	55.4	Low	60.2	Low	186 Å²	186	102.1 Å²	102.1	70%	0.702	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-93.1	119.9	175.2	-75.7	-173.2	177	-176.1	1.2	110.9	G93	R91-G93 PolarHBondContact O-N 3.36Å
92	I	70.5	Confident	62.6	Low	105 Å²	105	102.7 Å²	102.7	54%	0.538	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-57.4	122.8	165.3	-61.1	176.3	0	0	0	107.4	H96 E97	I92-H96 HydrophobicContact CG2-CB 3.86Å; I92-E97 HydrophobicContact CG2-CG 3.99Å
93	G	75.3	Confident	64.8	Low	20 Å²	20	92.1 Å²	92.1	21%	0.206	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-75.2	154.9	-177	0	0	0	0	0	112.3	R91 S95 H96 E97 D169	R91-G93 PolarHBondContact O-N 3.36Å; G93-S95 PolarHBondContact O-N 3.42Å; G93-S95 VanDerWaalsContact O-N 3.15Å; G93-H96 PolarHBondContact O-N 3.38Å; G93-H96 VanDerWaalsContact O-N 3.08Å; G93-E97 PolarHBondContact O-N 2.76Å; G93-D169 VanDerWaalsContact CA-OD2 3.24Å; G93-D169 WeakPolarHBondContact CA-OD2 3.33Å; G93-D169 PolarHBondContact N-OD2 2.94Å
94	I	83.3	Confident	67	Low	147 Å²	147	86.7 Å²	86.7	75%	0.754	43%	0.43	S	S	*	.	H	α-helix	trans	-55.9	-33.8	176.1	-62.6	170.4	0	0	0	110.8	E97 T98	I94-E97 PolarHBondContact O-N 2.9Å; I94-T98 WeakPolarHBondContact O-CB 3.4Å; I94-T98 PolarHBondContact O-N 3.41Å; I94-T98 PolarHBondContact O-OG1 3.16Å
95	S	82.2	Confident	69.5	Low	48 Å²	48	86.7 Å²	86.7	34%	0.336	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-47.5	177	-78.9	0	0	0	0	112.3	G93 T98 L99	G93-S95 PolarHBondContact O-N 3.42Å; G93-S95 VanDerWaalsContact O-N 3.15Å; S95-T98 PolarHBondContact O-N 3.18Å; S95-L99 WeakPolarHBondContact O-CG 3.49Å; S95-L99 PolarHBondContact O-N 3.08Å; S95-L99 VanDerWaalsContact O-N 3.11Å
96	H	83.4	Confident	72	Confident	27 Å²	27	80.5 Å²	80.5	13%	0.125	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-48.3	176.6	179.1	-11.3	0	0	0	111.7	I92 G93 T98 L99 R100 L165 V168 D169 F171	I92-H96 HydrophobicContact CG2-CB 3.86Å; G93-H96 PolarHBondContact O-N 3.38Å; G93-H96 VanDerWaalsContact O-N 3.08Å; H96-T98 VanDerWaalsContact C-N 3.29Å; H96-T98 PolarHBondContact O-N 3.26Å; H96-L99 PolarHBondContact O-N 3.43Å; H96-R100 WeakPolarHBondContact O-CB 3.32Å; H96-R100 PolarHBondContact O-N 3.19Å; H96-L165 WeakPolarHBondContact ND1-CD1 3.31Å; H96-L165 WeakPolarHBondContact O-CD1 3.38Å; H96-V168 HydrophobicContact CB-CG2 3.82Å; H96-D169 WeakPolarHBondContact CB-OD2 3.47Å; H96-D169 IonicContact CD2-OD2 2.79Å; H96-D169 IonicContact CG-OD2 2.69Å; H96-F171 AromaticContact CD2-CE2 3.67Å
97	E	83.5	Confident	74.1	Confident	34 Å²	34	77.5 Å²	77.5	16%	0.159	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-35.6	-179.3	-80.5	-54.4	135.7	0	0	112.7	I92 G93 I94 R100 R101	I92-E97 HydrophobicContact CG2-CG 3.99Å; G93-E97 PolarHBondContact O-N 2.76Å; I94-E97 PolarHBondContact O-N 2.9Å; E97-R100 VanDerWaalsContact CD-NE 3.35Å; E97-R100 PolarHBondContact O-N 2.94Å; E97-R100 IonicContact OE1-CZ 3.75Å; E97-R100 IonicContact OE1-NE 2.83Å; E97-R100 PolarHBondContact OE1-NE 3.46Å; E97-R100 VanDerWaalsContact OE1-NE 3.1Å; E97-R100 IonicContact OE1-NH2 3.82Å; E97-R100 IonicContact OE2-CZ 3.32Å; E97-R100 VanDerWaalsContact OE2-CZ 3.23Å; E97-R100 IonicContact OE2-NE 2.71Å; E97-R100 PolarHBondContact OE2-NE 3.15Å; E97-R100 IonicContact OE2-NH2 3.45Å; E97-R100 PolarHBondContact OE2-NH2 3.12Å; E97-R101 WeakPolarHBondContact O-CB 3.33Å; E97-R101 VanDerWaalsContact O-CG 3.27Å; E97-R101 WeakPolarHBondContact O-CG 3.12Å; E97-R101 PolarHBondContact O-N 3.37Å
98	T	85.8	Confident	76.3	Confident	43 Å²	43	77.7 Å²	77.7	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-61.5	-49.2	173.9	-57	0	0	0	0	111.4	I94 S95 H96 R101 R102 R389	I94-T98 WeakPolarHBondContact O-CB 3.4Å; I94-T98 PolarHBondContact O-N 3.41Å; I94-T98 PolarHBondContact O-OG1 3.16Å; S95-T98 PolarHBondContact O-N 3.18Å; H96-T98 VanDerWaalsContact C-N 3.29Å; H96-T98 PolarHBondContact O-N 3.26Å; T98-R101 PolarHBondContact O-N 3.49Å; T98-R102 WeakPolarHBondContact O-CG 3.31Å; T98-R102 PolarHBondContact O-N 2.97Å; T98-R389 VanDerWaalsContact CB-NH2 3.31Å
99	L	85.4	Confident	78.4	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-66	-40.1	179.7	-71.1	175.2	0	0	0	111.4	S95 H96 R101 R102 A103 I161 K164 L165 V168 M386	S95-L99 WeakPolarHBondContact O-CG 3.49Å; S95-L99 PolarHBondContact O-N 3.08Å; S95-L99 VanDerWaalsContact O-N 3.11Å; H96-L99 PolarHBondContact O-N 3.43Å; L99-R101 PolarHBondContact O-N 3.32Å; L99-R102 PolarHBondContact O-N 3.42Å; L99-A103 PolarHBondContact O-N 3.01Å; L99-I161 HydrophobicContact CB-CG2 4.14Å; L99-I161 HydrophobicContact CD2-CG2 4.31Å; L99-I161 WeakPolarHBondContact O-CG2 3.3Å; L99-K164 HydrophobicContact CD1-CB 3.89Å; L99-K164 HydrophobicContact CD1-CG 3.61Å; L99-L165 HydrophobicContact CB-CD1 3.54Å; L99-V168 HydrophobicContact CD1-CG1 3.8Å; L99-V168 HydrophobicContact CD1-CG2 4.33Å; L99-M386 HydrophobicContact CD2-CE 4.49Å
100	R	83.9	Confident	79.8	Confident	34 Å²	34	68.6 Å²	68.6	13%	0.128	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-47.5	176	-165.7	-178.3	70.6	105.1	-3.4	111.4	F8 H96 E97 A103 L104 L165	F8-R100 HydrophobicContact CD2-CG 4.38Å; F8-R100 HydrophobicContact CE2-CG 3.47Å; F8-R100 VanDerWaalsContact CE2-CG 3.47Å; F8-R100 HydrophobicContact CZ-CB 4.44Å; F8-R100 HydrophobicContact CZ-CG 3.61Å; H96-R100 WeakPolarHBondContact O-CB 3.32Å; H96-R100 PolarHBondContact O-N 3.19Å; E97-R100 VanDerWaalsContact CD-NE 3.35Å; E97-R100 PolarHBondContact O-N 2.94Å; E97-R100 IonicContact OE1-CZ 3.75Å; E97-R100 IonicContact OE1-NE 2.83Å; E97-R100 PolarHBondContact OE1-NE 3.46Å; E97-R100 VanDerWaalsContact OE1-NE 3.1Å; E97-R100 IonicContact OE1-NH2 3.82Å; E97-R100 IonicContact OE2-CZ 3.32Å; E97-R100 VanDerWaalsContact OE2-CZ 3.23Å; E97-R100 IonicContact OE2-NE 2.71Å; E97-R100 PolarHBondContact OE2-NE 3.15Å; E97-R100 IonicContact OE2-NH2 3.45Å; E97-R100 PolarHBondContact OE2-NH2 3.12Å; R100-A103 PolarHBondContact O-N 2.97Å; R100-L104 WeakPolarHBondContact O-CG 3.4Å; R100-L104 PolarHBondContact O-N 3.31Å; R100-L104 VanDerWaalsContact O-N 3.11Å; R100-L165 HydrophobicContact CB-CD1 4.18Å
101	R	87.6	Confident	80.9	Confident	157 Å²	157	63 Å²	63	59%	0.592	30%	0.301	S	S	*	.	H	α-helix	trans	-63.9	-40.4	176.3	-70.9	174.8	-173.1	-167.5	1.4	112.1	E97 T98 L99 L104 N105	E97-R101 WeakPolarHBondContact O-CB 3.33Å; E97-R101 VanDerWaalsContact O-CG 3.27Å; E97-R101 WeakPolarHBondContact O-CG 3.12Å; E97-R101 PolarHBondContact O-N 3.37Å; T98-R101 PolarHBondContact O-N 3.49Å; L99-R101 PolarHBondContact O-N 3.32Å; R101-L104 PolarHBondContact O-N 3.03Å; R101-N105 PolarHBondContact O-N 3.22Å
102	R	87.2	Confident	82.2	Confident	68 Å²	68	56.9 Å²	56.9	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-44.3	174.5	-73	178.5	179.4	-170.4	-2.3	111.8	T98 L99 L104 N105 Y106 I161	T98-R102 WeakPolarHBondContact O-CG 3.31Å; T98-R102 PolarHBondContact O-N 2.97Å; L99-R102 PolarHBondContact O-N 3.42Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.46Å; R102-N105 WeakPolarHBondContact O-CB 3.34Å; R102-N105 PolarHBondContact O-N 3.41Å; R102-N105 VanDerWaalsContact O-N 3.16Å; R102-Y106 WeakPolarHBondContact O-CD2 2.79Å; R102-Y106 PolarHBondContact O-N 3.47Å; R102-I161 HydrophobicContact CB-CD1 3.89Å
103	A	84	Confident	82.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-44.6	175.7	0	0	0	0	0	111.7	F8 L99 R100 N105 Y106 I107 L158 I161 L162	F8-A103 HydrophobicContact CE1-CB 4.5Å; F8-A103 HydrophobicContact CZ-CB 3.98Å; L99-A103 PolarHBondContact O-N 3.01Å; R100-A103 PolarHBondContact O-N 2.97Å; A103-N105 VanDerWaalsContact C-N 3.34Å; A103-N105 PolarHBondContact O-N 2.77Å; A103-Y106 PolarHBondContact O-N 3.14Å; A103-I107 VanDerWaalsContact O-CG1 3.32Å; A103-I107 WeakPolarHBondContact O-CG1 3.4Å; A103-I107 PolarHBondContact O-N 2.87Å; A103-L158 HydrophobicContact CB-CD1 3.85Å; A103-I161 HydrophobicContact CB-CG2 3.84Å; A103-L162 HydrophobicContact CB-CD2 4.42Å
104	L	84.5	Confident	82.3	Confident	39 Å²	39	51.9 Å²	51.9	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-40.7	175.4	-68.9	174.8	0	0	0	112.5	F8 I63 R100 R101 R102 I107 H108	F8-L104 HydrophobicContact CE2-CD2 4.48Å; I63-L104 HydrophobicContact CD1-CD2 4.32Å; I63-L104 HydrophobicContact CG2-CD2 3.81Å; R100-L104 WeakPolarHBondContact O-CG 3.4Å; R100-L104 PolarHBondContact O-N 3.31Å; R100-L104 VanDerWaalsContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 3.03Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.46Å; L104-I107 PolarHBondContact O-N 2.95Å; L104-H108 PolarHBondContact O-N 3.19Å
105	N	87.3	Confident	82	Confident	107 Å²	107	49.1 Å²	49.1	57%	0.572	24%	0.239	S	C	*	.	H	α-helix	trans	-63.5	-45	175.4	-70.5	-7	0	0	0	111.5	R101 R102 A103 I107 H108 E109	R101-N105 PolarHBondContact O-N 3.22Å; R102-N105 WeakPolarHBondContact O-CB 3.34Å; R102-N105 PolarHBondContact O-N 3.41Å; R102-N105 VanDerWaalsContact O-N 3.16Å; A103-N105 VanDerWaalsContact C-N 3.34Å; A103-N105 PolarHBondContact O-N 2.77Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.21Å; N105-H108 WeakPolarHBondContact O-CA 3.23Å; N105-H108 WeakPolarHBondContact O-CB 3.27Å; N105-H108 PolarHBondContact O-N 3.3Å; N105-E109 WeakPolarHBondContact O-CG 3.37Å; N105-E109 PolarHBondContact O-N 3.09Å
106	Y	84.4	Confident	81.6	Confident	65 Å²	65	51.7 Å²	51.7	26%	0.255	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-34.7	176.3	-82.1	-69.3	0	0	0	113	R102 A103 H108 E109 A110 I154 H157 I161	R102-Y106 WeakPolarHBondContact O-CD2 2.79Å; R102-Y106 PolarHBondContact O-N 3.47Å; A103-Y106 PolarHBondContact O-N 3.14Å; Y106-H108 VanDerWaalsContact C-N 3.32Å; Y106-E109 PolarHBondContact O-N 3.29Å; Y106-A110 PolarHBondContact O-N 3.24Å; Y106-I154 HydrophobicContact CD1-CG1 4.46Å; Y106-I154 HydrophobicContact CD1-CG2 4.24Å; Y106-I154 WeakPolarHBondContact O-CG2 3.34Å; Y106-H157 HydrophobicContact CD1-CB 4.17Å; Y106-H157 HydrophobicContact CD2-CB 4.45Å; Y106-H157 HydrophobicContact CE1-CB 3.67Å; Y106-H157 HydrophobicContact CE2-CB 4.01Å; Y106-H157 AromaticContact CZ-CD2 3.88Å; Y106-H157 AromaticContact CZ-CG 3.87Å; Y106-H157 PolarHBondContact OH-CD2 3.24Å; Y106-I161 HydrophobicContact CD2-CD1 3.42Å; Y106-I161 VanDerWaalsContact CD2-CD1 3.42Å; Y106-I161 HydrophobicContact CE2-CD1 3.33Å
107	I	77.9	Confident	81	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-41.5	172.1	-67.4	160.2	0	0	0	110.3	S11 V12 V59 I63 A103 L104 N105 A110 Q111 L158	S11-I107 WeakPolarHBondContact OG-CD1 3.35Å; V12-I107 HydrophobicContact CG2-CD1 4.2Å; V59-I107 HydrophobicContact CG1-CG2 4.06Å; I63-I107 HydrophobicContact CD1-CD1 4.39Å; I63-I107 HydrophobicContact CD1-CG2 3.71Å; A103-I107 VanDerWaalsContact O-CG1 3.32Å; A103-I107 WeakPolarHBondContact O-CG1 3.4Å; A103-I107 PolarHBondContact O-N 2.87Å; L104-I107 PolarHBondContact O-N 2.95Å; N105-I107 VanDerWaalsContact C-N 3.29Å; N105-I107 PolarHBondContact O-N 3.21Å; I107-A110 WeakPolarHBondContact O-CB 3.26Å; I107-A110 PolarHBondContact O-N 3.42Å; I107-Q111 WeakPolarHBondContact O-CG 3.35Å; I107-Q111 PolarHBondContact O-N 3.06Å; I107-Q111 VanDerWaalsContact O-N 3.08Å; I107-L158 HydrophobicContact CG1-CD1 4.26Å; I107-L158 HydrophobicContact CG1-CD2 4.08Å
108	H	81.7	Confident	80.4	Confident	94 Å²	94	51.8 Å²	51.8	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.5	-171.5	58.1	0	0	0	112.3	L104 N105 Y106 A110 Q111 N112	L104-H108 PolarHBondContact O-N 3.19Å; N105-H108 WeakPolarHBondContact O-CA 3.23Å; N105-H108 WeakPolarHBondContact O-CB 3.27Å; N105-H108 PolarHBondContact O-N 3.3Å; Y106-H108 VanDerWaalsContact C-N 3.32Å; H108-A110 VanDerWaalsContact C-N 3.32Å; H108-A110 PolarHBondContact O-N 3.21Å; H108-Q111 WeakPolarHBondContact O-CB 3.31Å; H108-Q111 PolarHBondContact O-N 3.13Å; H108-Q111 VanDerWaalsContact O-N 3.16Å; H108-N112 PolarHBondContact NE2-ND2 2.84Å; H108-N112 PolarHBondContact O-N 3.37Å; H108-N112 PolarHBondContact O-ND2 3.29Å
109	E	84.4	Confident	79.7	Confident	95 Å²	95	52.8 Å²	52.8	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-38.7	173.2	-66.9	-56.5	154.4	0	0	112.3	N105 Y106 Q111 N112 T113 I154	N105-E109 WeakPolarHBondContact O-CG 3.37Å; N105-E109 PolarHBondContact O-N 3.09Å; Y106-E109 PolarHBondContact O-N 3.29Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.33Å; E109-N112 PolarHBondContact O-N 3.4Å; E109-T113 VanDerWaalsContact O-CB 3.31Å; E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 3.36Å; E109-T113 PolarHBondContact O-OG1 3.05Å; E109-I154 HydrophobicContact CB-CD1 4.02Å; E109-I154 HydrophobicContact CB-CG1 4.45Å
110	A	77	Confident	78.9	Confident	26 Å²	26	53.7 Å²	53.7	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-40.9	174.2	0	0	0	0	0	111.7	Y106 I107 H108 T113 L114 I154	Y106-A110 PolarHBondContact O-N 3.24Å; I107-A110 WeakPolarHBondContact O-CB 3.26Å; I107-A110 PolarHBondContact O-N 3.42Å; H108-A110 VanDerWaalsContact C-N 3.32Å; H108-A110 PolarHBondContact O-N 3.21Å; A110-T113 PolarHBondContact O-N 2.73Å; A110-L114 PolarHBondContact O-N 3.12Å; A110-I154 HydrophobicContact CB-CG2 4Å
111	Q	74.7	Confident	78.1	Confident	22 Å²	22	52.4 Å²	52.4	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-45.9	176.4	-66.3	172.5	-20	0	0	111.7	V56 I107 H108 E109 T113 L114 N115	V56-Q111 HydrophobicContact CG1-CB 4.39Å; V56-Q111 HydrophobicContact CG1-CG 4.09Å; I107-Q111 WeakPolarHBondContact O-CG 3.35Å; I107-Q111 PolarHBondContact O-N 3.06Å; I107-Q111 VanDerWaalsContact O-N 3.08Å; H108-Q111 WeakPolarHBondContact O-CB 3.31Å; H108-Q111 PolarHBondContact O-N 3.13Å; H108-Q111 VanDerWaalsContact O-N 3.16Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.33Å; Q111-T113 VanDerWaalsContact C-N 3.28Å; Q111-T113 PolarHBondContact O-N 3.48Å; Q111-L114 PolarHBondContact O-N 3.31Å; Q111-N115 PolarHBondContact O-N 3.07Å; Q111-N115 PolarHBondContact O-ND2 3.18Å
112	N	81.2	Confident	77.4	Confident	56 Å²	56	48.8 Å²	48.8	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-41.8	176.4	-69.2	-22.6	0	0	0	111.3	H108 E109 L114 N115 N116	H108-N112 PolarHBondContact NE2-ND2 2.84Å; H108-N112 PolarHBondContact O-N 3.37Å; H108-N112 PolarHBondContact O-ND2 3.29Å; E109-N112 PolarHBondContact O-N 3.4Å; N112-L114 PolarHBondContact O-N 3.06Å; N112-N115 WeakPolarHBondContact O-CB 3.25Å; N112-N115 PolarHBondContact O-N 3.43Å; N112-N116 PolarHBondContact O-N 3.35Å
113	T	77.7	Confident	76.5	Confident	11 Å²	11	50.9 Å²	50.9	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-46.1	175.8	-58.7	0	0	0	0	110.1	E109 A110 Q111 N115 N116 L117 Y147 N150 V151	E109-T113 VanDerWaalsContact O-CB 3.31Å; E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 3.36Å; E109-T113 PolarHBondContact O-OG1 3.05Å; A110-T113 PolarHBondContact O-N 2.73Å; Q111-T113 VanDerWaalsContact C-N 3.28Å; Q111-T113 PolarHBondContact O-N 3.48Å; T113-N115 VanDerWaalsContact C-N 3.35Å; T113-N115 PolarHBondContact O-N 2.89Å; T113-N116 VanDerWaalsContact O-CB 3.31Å; T113-N116 WeakPolarHBondContact O-CB 3.26Å; T113-N116 PolarHBondContact O-N 3.12Å; T113-N116 VanDerWaalsContact O-N 3.12Å; T113-L117 PolarHBondContact O-N 3.27Å; T113-L117 VanDerWaalsContact O-N 3.15Å; T113-Y147 HydrophobicContact CG2-CD2 3.39Å; T113-Y147 HydrophobicContact CG2-CE2 3.27Å; T113-Y147 HydrophobicContact CG2-CG 4.45Å; T113-Y147 WeakPolarHBondContact O-CE2 3.43Å; T113-N150 HydrophobicContact CG2-CB 4.31Å; T113-V151 HydrophobicContact CG2-CG2 3.61Å
114	L	72	Confident	75.5	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-36.9	176.9	-162.8	80.2	0	0	0	113.4	W15 A52 V56 A110 Q111 N112 N116 L117 N118 Y147	W15-L114 HydrophobicContact CH2-CD1 4.04Å; W15-L114 HydrophobicContact CH2-CD2 3.33Å; W15-L114 HydrophobicContact CH2-CG 4.21Å; W15-L114 HydrophobicContact CZ2-CD2 4.27Å; W15-L114 HydrophobicContact CZ3-CD1 3.66Å; W15-L114 HydrophobicContact CZ3-CD2 3.86Å; W15-L114 HydrophobicContact CZ3-CG 4.29Å; A52-L114 HydrophobicContact CB-CD1 4.47Å; A52-L114 HydrophobicContact CB-CD2 4.26Å; V56-L114 HydrophobicContact CB-CD2 4.31Å; V56-L114 HydrophobicContact CG2-CB 4.37Å; V56-L114 HydrophobicContact CG2-CD2 3.11Å; V56-L114 HydrophobicContact CG2-CG 4.33Å; A110-L114 PolarHBondContact O-N 3.12Å; Q111-L114 PolarHBondContact O-N 3.31Å; N112-L114 PolarHBondContact O-N 3.06Å; L114-N116 PolarHBondContact O-N 3.14Å; L114-L117 HydrophobicContact CD1-CD2 3.83Å; L114-L117 CarbonylContact O-C 3.59Å; L114-L117 WeakPolarHBondContact O-CA 3.4Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.25Å; L114-N118 PolarHBondContact O-N 2.95Å; L114-Y147 VanDerWaalsContact CD1-OH 3.29Å; L114-Y147 WeakPolarHBondContact CD1-OH 3.31Å
115	N	75.2	Confident	74.7	Confident	88 Å²	88	57.5 Å²	57.5	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-38.1	174.8	-71.4	-27.1	0	0	0	111.1	Q111 N112 T113 N118 S119	Q111-N115 PolarHBondContact O-N 3.07Å; Q111-N115 PolarHBondContact O-ND2 3.18Å; N112-N115 WeakPolarHBondContact O-CB 3.25Å; N112-N115 PolarHBondContact O-N 3.43Å; T113-N115 VanDerWaalsContact C-N 3.35Å; T113-N115 PolarHBondContact O-N 2.89Å; N115-N118 PolarHBondContact O-N 3.32Å; N115-S119 PolarHBondContact O-N 3.28Å
116	N	74.1	Confident	73.6	Confident	103 Å²	103	55.5 Å²	55.5	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-63.5	-42.7	172.7	-62.7	-26.9	0	0	0	111.8	N112 T113 L114 N118 S119 I120	N112-N116 PolarHBondContact O-N 3.35Å; T113-N116 VanDerWaalsContact O-CB 3.31Å; T113-N116 WeakPolarHBondContact O-CB 3.26Å; T113-N116 PolarHBondContact O-N 3.12Å; T113-N116 VanDerWaalsContact O-N 3.12Å; L114-N116 PolarHBondContact O-N 3.14Å; N116-N118 VanDerWaalsContact C-N 3.34Å; N116-N118 PolarHBondContact O-N 2.82Å; N116-S119 VanDerWaalsContact O-CB 3.32Å; N116-S119 WeakPolarHBondContact O-CB 3.38Å; N116-S119 PolarHBondContact O-N 3.33Å; N116-I120 WeakPolarHBondContact O-CG1 3.44Å; N116-I120 PolarHBondContact O-N 3.36Å
117	L	71.7	Confident	72.5	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-40.6	174.7	178.9	73.9	0	0	0	112.4	L22 T113 L114 S119 I120 S121 L144 Y147	L22-L117 HydrophobicContact CD2-CD1 4.14Å; L22-L117 HydrophobicContact CD2-CD2 3.35Å; L22-L117 HydrophobicContact CD2-CG 4.28Å; T113-L117 PolarHBondContact O-N 3.27Å; T113-L117 VanDerWaalsContact O-N 3.15Å; L114-L117 HydrophobicContact CD1-CD2 3.83Å; L114-L117 CarbonylContact O-C 3.59Å; L114-L117 WeakPolarHBondContact O-CA 3.4Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.25Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 2.88Å; L117-I120 WeakPolarHBondContact O-CB 3.35Å; L117-I120 PolarHBondContact O-N 3.36Å; L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 3.36Å; L117-L144 HydrophobicContact CD1-CD2 4Å; L117-Y147 HydrophobicContact CB-CD2 3.96Å; L117-Y147 HydrophobicContact CB-CE1 4.2Å; L117-Y147 HydrophobicContact CB-CE2 3.5Å; L117-Y147 HydrophobicContact CB-CG 4.49Å; L117-Y147 HydrophobicContact CD1-CD1 4.03Å; L117-Y147 HydrophobicContact CD1-CE1 3.97Å; L117-Y147 HydrophobicContact CD1-CG 4.44Å; L117-Y147 HydrophobicContact CD2-CE1 3.85Å; L117-Y147 HydrophobicContact CD2-CE2 4.41Å; L117-Y147 HydrophobicContact CG-CE1 4.21Å; L117-Y147 HydrophobicContact CG-CE2 4.38Å
118	N	70	Confident	71.5	Confident	56 Å²	56	60.2 Å²	60.2	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-38.3	176.8	-174	48.8	0	0	0	111	L114 N115 N116 S121 T122	L114-N118 PolarHBondContact O-N 2.95Å; N115-N118 PolarHBondContact O-N 3.32Å; N116-N118 VanDerWaalsContact C-N 3.34Å; N116-N118 PolarHBondContact O-N 2.82Å; N118-S121 PolarHBondContact O-N 2.9Å; N118-T122 WeakPolarHBondContact O-CB 3.46Å; N118-T122 PolarHBondContact O-N 2.99Å; N118-T122 PolarHBondContact O-OG1 2.92Å
119	S	71.8	Confident	70.3	Confident	63 Å²	63	61.6 Å²	61.6	44%	0.441	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-48.5	171.8	-172.1	0	0	0	0	111.3	N115 N116 L117 S121 T122 Q123	N115-S119 PolarHBondContact O-N 3.28Å; N116-S119 VanDerWaalsContact O-CB 3.32Å; N116-S119 WeakPolarHBondContact O-CB 3.38Å; N116-S119 PolarHBondContact O-N 3.33Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 2.88Å; S119-S121 PolarHBondContact O-N 3.4Å; S119-T122 PolarHBondContact O-N 3.31Å; S119-Q123 WeakPolarHBondContact O-CG 3.45Å; S119-Q123 PolarHBondContact O-N 2.93Å
120	I	69.1	Low	68.9	Low	21 Å²	21	66.6 Å²	66.6	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-43.7	176	-63.8	165.6	0	0	0	111.2	N116 L117 T122 Q123 L124 L144	N116-I120 WeakPolarHBondContact O-CG1 3.44Å; N116-I120 PolarHBondContact O-N 3.36Å; L117-I120 WeakPolarHBondContact O-CB 3.35Å; L117-I120 PolarHBondContact O-N 3.36Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.07Å; I120-Q123 PolarHBondContact O-N 2.91Å; I120-L124 HydrophobicContact CG2-CD1 4.03Å; I120-L124 HydrophobicContact CG2-CG 4.49Å; I120-L124 WeakPolarHBondContact O-CB 3.43Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.5Å; I120-L124 PolarHBondContact O-N 2.99Å; I120-L144 HydrophobicContact CG2-CD2 4.25Å; I120-L144 HydrophobicContact CG2-CG 4.49Å
121	S	66.9	Low	67.9	Low	6 Å²	6	69.8 Å²	69.8	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-38.3	178	-177.5	0	0	0	0	112.1	L117 N118 S119 L124 R125	L117-S121 WeakPolarHBondContact O-CB 3.3Å; L117-S121 PolarHBondContact O-N 3.36Å; N118-S121 PolarHBondContact O-N 2.9Å; S119-S121 PolarHBondContact O-N 3.4Å; S121-L124 PolarHBondContact O-N 3.28Å; S121-R125 PolarHBondContact O-N 2.93Å
122	T	72.3	Confident	67.3	Low	82 Å²	82	70.3 Å²	70.3	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-68.8	-42	178	-54.9	0	0	0	0	110.5	N118 S119 I120 L124 R125 G126	N118-T122 WeakPolarHBondContact O-CB 3.46Å; N118-T122 PolarHBondContact O-N 2.99Å; N118-T122 PolarHBondContact O-OG1 2.92Å; S119-T122 PolarHBondContact O-N 3.31Å; I120-T122 VanDerWaalsContact C-N 3.32Å; I120-T122 PolarHBondContact O-N 3.07Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 2.99Å; T122-R125 PolarHBondContact O-N 3.31Å; T122-G126 PolarHBondContact O-N 3.2Å
123	Q	68.4	Low	66.6	Low	112 Å²	112	71.8 Å²	71.8	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-59.3	-44.6	172.3	-71.2	175.6	-13.6	0	0	111.5	S119 I120 R125 G126 L127 M140	S119-Q123 WeakPolarHBondContact O-CG 3.45Å; S119-Q123 PolarHBondContact O-N 2.93Å; I120-Q123 PolarHBondContact O-N 2.91Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.37Å; Q123-G126 PolarHBondContact O-N 3.42Å; Q123-G126 VanDerWaalsContact O-N 3.14Å; Q123-L127 PolarHBondContact O-N 2.94Å; Q123-M140 HydrophobicContact CB-CE 4.43Å
124	L	64.3	Low	66.3	Low	39 Å²	39	77 Å²	77	20%	0.204	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-36.8	177.9	-77.2	167.8	0	0	0	113.3	I120 S121 T122 G126 M140	I120-L124 HydrophobicContact CG2-CD1 4.03Å; I120-L124 HydrophobicContact CG2-CG 4.49Å; I120-L124 WeakPolarHBondContact O-CB 3.43Å; I120-L124 VanDerWaalsContact O-CG 3.32Å; I120-L124 WeakPolarHBondContact O-CG 3.5Å; I120-L124 PolarHBondContact O-N 2.99Å; S121-L124 PolarHBondContact O-N 3.28Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 2.99Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 3.41Å; L124-M140 HydrophobicContact CD2-CE 4.05Å; L124-M140 HydrophobicContact CD2-SD 3.38Å; L124-M140 WeakPolarHBondContact CD2-SD 3.28Å; L124-M140 HydrophobicContact CG-CE 4.39Å; L124-M140 HydrophobicContact CG-SD 4.2Å
125	R	66.1	Low	66.4	Low	138 Å²	138	84.7 Å²	84.7	52%	0.521	44%	0.444	S	S	.	.	H	α-helix	trans	-69	-27.1	176	-74.8	-174.3	-136.8	-166.7	2.8	113.2	I46 S121 T122 Q123	I46-R125 HydrophobicContact CD1-CG 4.1Å; S121-R125 PolarHBondContact O-N 2.93Å; T122-R125 PolarHBondContact O-N 3.31Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 3.37Å
126	G	64.6	Low	66.1	Low	65 Å²	65	82.5 Å²	82.5	67%	0.67	44%	0.435	S	S	*	.	H	α-helix	trans	-83.1	-12.8	-179.7	0	0	0	0	0	114.5	T122 Q123 L124	T122-G126 PolarHBondContact O-N 3.2Å; Q123-G126 PolarHBondContact O-N 3.42Å; Q123-G126 VanDerWaalsContact O-N 3.14Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 3.41Å
127	L	60.9	Low	65.8	Low	49 Å²	49	79.2 Å²	79.2	26%	0.257	42%	0.418	S	S	.	.			trans	-84.1	118.9	-179.2	-71.3	176	0	0	0	111.3	Q123 D131 L132 T136 M140	Q123-L127 PolarHBondContact O-N 2.94Å; L127-D131 HydrophobicContact CD2-CB 4.05Å; L127-L132 HydrophobicContact CD1-CD2 4.15Å; L127-L132 HydrophobicContact CD1-CG 4.29Å; L127-T136 HydrophobicContact CD1-CG2 4.23Å; L127-M140 HydrophobicContact CD1-CE 3.28Å; L127-M140 HydrophobicContact CD1-SD 3.9Å; L127-M140 HydrophobicContact CG-CE 4.44Å
128	N	57.9	Low	65.9	Low	122 Å²	122	81.8 Å²	81.8	65%	0.652	44%	0.436	S	S	*	.			trans	-72.7	151	163.2	-86	-35.3	0	0	0	109.6	K130 D131	N128-K130 PolarHBondContact O-N 3.41Å; N128-D131 PolarHBondContact N-OD2 3.24Å; N128-D131 PolarHBondContact O-N 2.92Å
129	H	55.5	Low	66.2	Low	122 Å²	122	82.6 Å²	82.6	57%	0.565	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.3	-178.2	-86	-82.3	0	0	0	114.8
130	K	54.7	Low	66.2	Low	201 Å²	201	80.3 Å²	80.3	87%	0.874	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.7	179.9	-64.4	-175.5	178.1	-178.1	0	114.1	N128	N128-K130 PolarHBondContact O-N 3.41Å
131	D	56.7	Low	66.3	Low	92 Å²	92	82.9 Å²	82.9	49%	0.492	44%	0.441	S	S	.	.	S	Bend	trans	-96	1.1	-175.8	-54	-42.1	0	0	0	112.9	L127 N128 D133	L127-D131 HydrophobicContact CD2-CB 4.05Å; N128-D131 PolarHBondContact N-OD2 3.24Å; N128-D131 PolarHBondContact O-N 2.92Å; D131-D133 PolarHBondContact O-N 3.35Å
132	L	61.5	Low	66.9	Low	34 Å²	34	85.1 Å²	85.1	18%	0.178	46%	0.459	C	S	.	.			trans	-89.2	74	-179.3	-79.5	136.8	0	0	0	110.5	K33 L127 V137	K33-L132 VanDerWaalsContact NZ-CD1 3.28Å; L127-L132 HydrophobicContact CD1-CD2 4.15Å; L127-L132 HydrophobicContact CD1-CG 4.29Å; L132-V137 HydrophobicContact CB-CG2 4.21Å; L132-V137 HydrophobicContact CD2-CG2 3.71Å
133	D	68.2	Low	67.2	Low	87 Å²	87	83.3 Å²	83.3	47%	0.465	45%	0.45	S	S	.	.			trans	-68.3	159.8	167	76.5	1.8	0	0	0	111.2	D131 K135 T136 V137	D131-D133 PolarHBondContact O-N 3.35Å; D133-K135 PolarHBondContact O-N 3.47Å; D133-K135 VanDerWaalsContact O-N 3.13Å; D133-K135 PolarHBondContact OD1-N 3.43Å; D133-T136 PolarHBondContact O-N 3.28Å; D133-T136 VanDerWaalsContact O-N 3.16Å; D133-T136 WeakPolarHBondContact OD1-CB 3.4Å; D133-T136 PolarHBondContact OD1-N 3.32Å; D133-T136 PolarHBondContact OD1-OG1 3.01Å; D133-V137 PolarHBondContact O-N 3.41Å; D133-V137 VanDerWaalsContact O-N 3.09Å
134	T	69.9	Low	67.4	Low	120 Å²	120	78.3 Å²	78.3	74%	0.736	43%	0.427	S	S	*	.	H	α-helix	trans	-57.2	-31.3	-177.3	-44.2	0	0	0	0	112.1	S138	T134-S138 WeakPolarHBondContact O-CB 3.49Å; T134-S138 PolarHBondContact O-N 3.22Å; T134-S138 PolarHBondContact O-OG 3.5Å
135	K	75.7	Confident	68	Low	171 Å²	171	81.2 Å²	81.2	74%	0.743	44%	0.441	S	S	*	.	H	α-helix	trans	-70.1	-44.1	179.9	-171.3	178.7	179.7	-178.5	0	111.6	D133 S138 S139	D133-K135 PolarHBondContact O-N 3.47Å; D133-K135 VanDerWaalsContact O-N 3.13Å; D133-K135 PolarHBondContact OD1-N 3.43Å; K135-S138 PolarHBondContact O-N 2.97Å; K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 3.41Å
136	T	68.7	Low	68.7	Low	43 Å²	43	82.5 Å²	82.5	26%	0.264	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-44.8	177.7	-58.9	0	0	0	0	110.5	L127 D133 S138 S139 M140	L127-T136 HydrophobicContact CD1-CG2 4.23Å; D133-T136 PolarHBondContact O-N 3.28Å; D133-T136 VanDerWaalsContact O-N 3.16Å; D133-T136 WeakPolarHBondContact OD1-CB 3.4Å; D133-T136 PolarHBondContact OD1-N 3.32Å; D133-T136 PolarHBondContact OD1-OG1 3.01Å; T136-S138 PolarHBondContact O-N 3Å; T136-S139 PolarHBondContact O-N 2.9Å; T136-M140 HydrophobicContact CG2-CE 4.11Å; T136-M140 HydrophobicContact CG2-SD 4.23Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.43Å; T136-M140 PolarHBondContact O-N 3.26Å
137	V	67.6	Low	69.4	Low	34 Å²	34	79.9 Å²	79.9	21%	0.206	42%	0.416	C	S	.	.	H	α-helix	trans	-59.2	-47.7	175	173.5	0	0	0	0	111.3	F30 L132 D133 S139 M140 Q141	F30-V137 HydrophobicContact CD1-CG1 4.13Å; F30-V137 HydrophobicContact CE1-CG1 3.98Å; L132-V137 HydrophobicContact CB-CG2 4.21Å; L132-V137 HydrophobicContact CD2-CG2 3.71Å; D133-V137 PolarHBondContact O-N 3.41Å; D133-V137 VanDerWaalsContact O-N 3.09Å; V137-S139 PolarHBondContact O-N 2.98Å; V137-M140 PolarHBondContact O-N 2.94Å; V137-Q141 HydrophobicContact CG1-CG 4.47Å; V137-Q141 WeakPolarHBondContact O-CB 3.49Å; V137-Q141 VanDerWaalsContact O-CG 3.32Å; V137-Q141 WeakPolarHBondContact O-CG 3.3Å; V137-Q141 PolarHBondContact O-N 3.42Å
138	S	73.5	Confident	70.1	Confident	60 Å²	60	83.2 Å²	83.2	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-63.4	-40.4	179.8	-57.8	0	0	0	0	112.2	T134 K135 T136 Q141 A142	T134-S138 WeakPolarHBondContact O-CB 3.49Å; T134-S138 PolarHBondContact O-N 3.22Å; T134-S138 PolarHBondContact O-OG 3.5Å; K135-S138 PolarHBondContact O-N 2.97Å; T136-S138 PolarHBondContact O-N 3Å; S138-Q141 PolarHBondContact O-N 2.91Å; S138-A142 WeakPolarHBondContact O-CB 3.49Å; S138-A142 PolarHBondContact O-N 3.27Å
139	S	76.3	Confident	71.2	Confident	73 Å²	73	82.4 Å²	82.4	51%	0.51	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-43.2	176	-178.6	0	0	0	0	112.4	K135 T136 V137 A142 S143	K135-S139 WeakPolarHBondContact O-CB 3.37Å; K135-S139 PolarHBondContact O-N 3.41Å; T136-S139 PolarHBondContact O-N 2.9Å; V137-S139 PolarHBondContact O-N 2.98Å; S139-A142 PolarHBondContact O-N 2.99Å; S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 3.5Å; S139-S143 PolarHBondContact O-OG 3.31Å
140	M	71	Confident	72.5	Confident	16 Å²	16	80 Å²	80	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-65.2	-43.7	176.3	-72.5	-178.4	164.6	0	0	111.7	Q123 L124 L127 T136 V137 A142 S143 L144	Q123-M140 HydrophobicContact CB-CE 4.43Å; L124-M140 HydrophobicContact CD2-CE 4.05Å; L124-M140 HydrophobicContact CD2-SD 3.38Å; L124-M140 WeakPolarHBondContact CD2-SD 3.28Å; L124-M140 HydrophobicContact CG-CE 4.39Å; L124-M140 HydrophobicContact CG-SD 4.2Å; L127-M140 HydrophobicContact CD1-CE 3.28Å; L127-M140 HydrophobicContact CD1-SD 3.9Å; L127-M140 HydrophobicContact CG-CE 4.44Å; T136-M140 HydrophobicContact CG2-CE 4.11Å; T136-M140 HydrophobicContact CG2-SD 4.23Å; T136-M140 VanDerWaalsContact O-CG 3.31Å; T136-M140 WeakPolarHBondContact O-CG 3.43Å; T136-M140 PolarHBondContact O-N 3.26Å; V137-M140 PolarHBondContact O-N 2.94Å; M140-A142 PolarHBondContact O-N 3.47Å; M140-S143 PolarHBondContact O-N 3.42Å; M140-L144 WeakPolarHBondContact O-CB 3.21Å; M140-L144 WeakPolarHBondContact O-CD1 3.34Å; M140-L144 VanDerWaalsContact O-CG 3.27Å; M140-L144 WeakPolarHBondContact O-CG 3.43Å; M140-L144 PolarHBondContact O-N 2.97Å
141	Q	71	Confident	73.7	Confident	75 Å²	75	71 Å²	71	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-46.6	175	-74.9	175.8	-19.4	0	0	111.7	F30 V137 S138 S143 L144 I145	F30-Q141 HydrophobicContact CD1-CG 4.22Å; F30-Q141 HydrophobicContact CD2-CG 4.34Å; F30-Q141 HydrophobicContact CE1-CG 4.19Å; F30-Q141 HydrophobicContact CE2-CG 4.32Å; F30-Q141 HydrophobicContact CG-CG 4.31Å; F30-Q141 HydrophobicContact CZ-CG 4.25Å; V137-Q141 HydrophobicContact CG1-CG 4.47Å; V137-Q141 WeakPolarHBondContact O-CB 3.49Å; V137-Q141 VanDerWaalsContact O-CG 3.32Å; V137-Q141 WeakPolarHBondContact O-CG 3.3Å; V137-Q141 PolarHBondContact O-N 3.42Å; S138-Q141 PolarHBondContact O-N 2.91Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.94Å; Q141-L144 PolarHBondContact O-N 3.41Å; Q141-I145 VanDerWaalsContact O-CG1 3.3Å; Q141-I145 WeakPolarHBondContact O-CG1 3.48Å; Q141-I145 PolarHBondContact O-N 3.34Å
142	A	80.2	Confident	74.8	Confident	52 Å²	52	71.1 Å²	71.1	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-40.8	177	0	0	0	0	0	112.3	S138 S139 M140 I145 R146	S138-A142 WeakPolarHBondContact O-CB 3.49Å; S138-A142 PolarHBondContact O-N 3.27Å; S139-A142 PolarHBondContact O-N 2.99Å; M140-A142 PolarHBondContact O-N 3.47Å; A142-I145 PolarHBondContact O-N 2.9Å; A142-R146 WeakPolarHBondContact O-CB 3.44Å; A142-R146 PolarHBondContact O-N 2.94Å
143	S	78.1	Confident	75.9	Confident	44 Å²	44	73.7 Å²	73.7	31%	0.308	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-39.9	177.3	-60	0	0	0	0	112.1	S139 M140 Q141 Y147	S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 3.5Å; S139-S143 PolarHBondContact O-OG 3.31Å; M140-S143 PolarHBondContact O-N 3.42Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.94Å; S143-Y147 VanDerWaalsContact O-CB 3.31Å; S143-Y147 WeakPolarHBondContact O-CB 3.31Å; S143-Y147 PolarHBondContact O-N 3.46Å
144	L	72.4	Confident	76.6	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-69.8	-40.3	177.3	-73.9	165	0	0	0	112.7	I26 F30 L117 I120 M140 Q141 Y147 R148	I26-L144 HydrophobicContact CD1-CD2 3.82Å; I26-L144 HydrophobicContact CG2-CD1 3.46Å; I26-L144 VanDerWaalsContact CG2-CD1 3.46Å; I26-L144 HydrophobicContact CG2-CD2 4.38Å; I26-L144 HydrophobicContact CG2-CG 4.38Å; F30-L144 HydrophobicContact CE2-CD1 3.65Å; F30-L144 HydrophobicContact CZ-CD1 4.22Å; L117-L144 HydrophobicContact CD1-CD2 4Å; I120-L144 HydrophobicContact CG2-CD2 4.25Å; I120-L144 HydrophobicContact CG2-CG 4.49Å; M140-L144 WeakPolarHBondContact O-CB 3.21Å; M140-L144 WeakPolarHBondContact O-CD1 3.34Å; M140-L144 VanDerWaalsContact O-CG 3.27Å; M140-L144 WeakPolarHBondContact O-CG 3.43Å; M140-L144 PolarHBondContact O-N 2.97Å; Q141-L144 PolarHBondContact O-N 3.41Å; L144-Y147 PolarHBondContact O-N 3.47Å; L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 PolarHBondContact O-N 2.74Å
145	I	77.4	Confident	77.2	Confident	99 Å²	99	66.1 Å²	66.1	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-46.4	173.7	-69.5	166.1	0	0	0	110.2	Q141 A142 Y147 R148 Q149	Q141-I145 VanDerWaalsContact O-CG1 3.3Å; Q141-I145 WeakPolarHBondContact O-CG1 3.48Å; Q141-I145 PolarHBondContact O-N 3.34Å; A142-I145 PolarHBondContact O-N 2.9Å; I145-Y147 PolarHBondContact O-N 3.16Å; I145-R148 WeakPolarHBondContact O-CB 3.43Å; I145-R148 PolarHBondContact O-N 3.38Å; I145-Q149 WeakPolarHBondContact O-CG 3.16Å; I145-Q149 PolarHBondContact O-N 3.13Å
146	R	81.4	Confident	77.5	Confident	165 Å²	165	60.2 Å²	60.2	62%	0.623	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-44.7	176.9	-173.2	-175.6	-60.9	174.5	1.1	111.8	A142 R148 Q149 N150	A142-R146 WeakPolarHBondContact O-CB 3.44Å; A142-R146 PolarHBondContact O-N 2.94Å; R146-R148 VanDerWaalsContact C-N 3.29Å; R146-R148 PolarHBondContact O-N 3.39Å; R146-Q149 PolarHBondContact O-N 2.62Å; R146-N150 WeakPolarHBondContact O-CB 3.29Å; R146-N150 VanDerWaalsContact O-CG 3.27Å; R146-N150 PolarHBondContact O-N 3.19Å; R146-N150 PolarHBondContact O-OD1 2.85Å
147	Y	78.7	Confident	78.3	Confident	11 Å²	11	60 Å²	60	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-57.6	-44.4	175.3	172	-94.8	0	0	0	111.2	L19 M23 T113 L114 L117 S143 L144 I145 N150 V151	L19-Y147 HydrophobicContact CD2-CE1 3.85Å; L19-Y147 WeakPolarHBondContact CD2-OH 3.39Å; M23-Y147 HydrophobicContact CE-CD1 3.49Å; M23-Y147 VanDerWaalsContact CE-CD1 3.49Å; M23-Y147 HydrophobicContact CE-CE1 3.85Å; T113-Y147 HydrophobicContact CG2-CD2 3.39Å; T113-Y147 HydrophobicContact CG2-CE2 3.27Å; T113-Y147 HydrophobicContact CG2-CG 4.45Å; T113-Y147 WeakPolarHBondContact O-CE2 3.43Å; L114-Y147 VanDerWaalsContact CD1-OH 3.29Å; L114-Y147 WeakPolarHBondContact CD1-OH 3.31Å; L117-Y147 HydrophobicContact CB-CD2 3.96Å; L117-Y147 HydrophobicContact CB-CE1 4.2Å; L117-Y147 HydrophobicContact CB-CE2 3.5Å; L117-Y147 HydrophobicContact CB-CG 4.49Å; L117-Y147 HydrophobicContact CD1-CD1 4.03Å; L117-Y147 HydrophobicContact CD1-CE1 3.97Å; L117-Y147 HydrophobicContact CD1-CG 4.44Å; L117-Y147 HydrophobicContact CD2-CE1 3.85Å; L117-Y147 HydrophobicContact CD2-CE2 4.41Å; L117-Y147 HydrophobicContact CG-CE1 4.21Å; L117-Y147 HydrophobicContact CG-CE2 4.38Å; S143-Y147 VanDerWaalsContact O-CB 3.31Å; S143-Y147 WeakPolarHBondContact O-CB 3.31Å; S143-Y147 PolarHBondContact O-N 3.46Å; L144-Y147 PolarHBondContact O-N 3.47Å; I145-Y147 PolarHBondContact O-N 3.16Å; Y147-N150 PolarHBondContact O-N 3.33Å; Y147-V151 HydrophobicContact CD1-CG2 4.41Å; Y147-V151 HydrophobicContact CD2-CG2 4.4Å; Y147-V151 HydrophobicContact CE1-CG2 3.9Å; Y147-V151 HydrophobicContact CE2-CG2 3.9Å; Y147-V151 WeakPolarHBondContact O-CB 3.46Å; Y147-V151 VanDerWaalsContact O-CG2 3.3Å; Y147-V151 WeakPolarHBondContact O-CG2 3.27Å; Y147-V151 PolarHBondContact O-N 3.34Å
148	R	75.1	Confident	79.2	Confident	119 Å²	119	59 Å²	59	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-51.7	176.1	-171.1	179.1	164.8	-175.8	-9.1	112.3	M23 L144 I145 R146 N150 V151 E152	M23-R148 HydrophobicContact CE-CB 3.34Å; M23-R148 HydrophobicContact CE-CG 3.76Å; M23-R148 HydrophobicContact CG-CG 4.1Å; M23-R148 HydrophobicContact SD-CB 3.79Å; M23-R148 HydrophobicContact SD-CG 3.87Å; L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 PolarHBondContact O-N 2.74Å; I145-R148 WeakPolarHBondContact O-CB 3.43Å; I145-R148 PolarHBondContact O-N 3.38Å; R146-R148 VanDerWaalsContact C-N 3.29Å; R146-R148 PolarHBondContact O-N 3.39Å; R148-N150 VanDerWaalsContact C-N 3.35Å; R148-N150 PolarHBondContact O-N 3.04Å; R148-V151 PolarHBondContact O-N 2.79Å; R148-E152 HydrophobicContact CG-CG 4.41Å; R148-E152 IonicContact CZ-OE1 3.54Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NE-OE2 2.79Å; R148-E152 IonicContact NH2-OE1 3.82Å; R148-E152 PolarHBondContact NH2-OE1 2.92Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.75Å
149	Q	82.1	Confident	79.7	Confident	105 Å²	105	58.3 Å²	58.3	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-59.4	-46.8	-179.2	-71.8	171.6	-32.9	0	0	111	I145 R146 V151 E152 D153	I145-Q149 WeakPolarHBondContact O-CG 3.16Å; I145-Q149 PolarHBondContact O-N 3.13Å; R146-Q149 PolarHBondContact O-N 2.62Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3.18Å; Q149-E152 PolarHBondContact O-N 3.19Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.48Å
150	N	83.2	Confident	80.1	Confident	72 Å²	72	55 Å²	55	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-42.7	177.4	-71.2	-1.9	0	0	0	112.1	T113 R146 Y147 R148 I154	T113-N150 HydrophobicContact CG2-CB 4.31Å; R146-N150 WeakPolarHBondContact O-CB 3.29Å; R146-N150 VanDerWaalsContact O-CG 3.27Å; R146-N150 PolarHBondContact O-N 3.19Å; R146-N150 PolarHBondContact O-OD1 2.85Å; Y147-N150 PolarHBondContact O-N 3.33Å; R148-N150 VanDerWaalsContact C-N 3.35Å; R148-N150 PolarHBondContact O-N 3.04Å; N150-I154 WeakPolarHBondContact O-CB 3.23Å; N150-I154 WeakPolarHBondContact O-CD1 3.47Å; N150-I154 WeakPolarHBondContact O-CG1 3.49Å; N150-I154 PolarHBondContact O-N 3.35Å
151	V	78.9	Confident	80.8	Confident	12 Å²	12	54.3 Å²	54.3	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-47.3	178	166	0	0	0	0	111.6	L19 T113 Y147 R148 Q149 D153 I154 I155	L19-V151 HydrophobicContact CB-CG1 4.2Å; L19-V151 HydrophobicContact CD1-CG1 3.28Å; L19-V151 HydrophobicContact CD2-CG1 3.94Å; L19-V151 HydrophobicContact CD2-CG2 4.18Å; L19-V151 HydrophobicContact CG-CG1 3.97Å; T113-V151 HydrophobicContact CG2-CG2 3.61Å; Y147-V151 HydrophobicContact CD1-CG2 4.41Å; Y147-V151 HydrophobicContact CD2-CG2 4.4Å; Y147-V151 HydrophobicContact CE1-CG2 3.9Å; Y147-V151 HydrophobicContact CE2-CG2 3.9Å; Y147-V151 WeakPolarHBondContact O-CB 3.46Å; Y147-V151 VanDerWaalsContact O-CG2 3.3Å; Y147-V151 WeakPolarHBondContact O-CG2 3.27Å; Y147-V151 PolarHBondContact O-N 3.34Å; R148-V151 PolarHBondContact O-N 2.79Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3.18Å; V151-D153 VanDerWaalsContact C-N 3.27Å; V151-D153 PolarHBondContact O-N 3.39Å; V151-I154 PolarHBondContact O-N 3.45Å; V151-I155 HydrophobicContact CG1-CD1 3.69Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 WeakPolarHBondContact O-CB 3.38Å; V151-I155 VanDerWaalsContact O-CG1 3.28Å; V151-I155 WeakPolarHBondContact O-CG1 3.5Å; V151-I155 PolarHBondContact O-N 3.38Å
152	E	80.6	Confident	81.4	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-42.1	178.2	-74.7	175	170.1	0	0	110.5	R148 Q149 L156	R148-E152 HydrophobicContact CG-CG 4.41Å; R148-E152 IonicContact CZ-OE1 3.54Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NE-OE2 2.79Å; R148-E152 IonicContact NH2-OE1 3.82Å; R148-E152 PolarHBondContact NH2-OE1 2.92Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.75Å; Q149-E152 PolarHBondContact O-N 3.19Å; E152-L156 WeakPolarHBondContact O-CB 3.32Å; E152-L156 PolarHBondContact O-N 3.39Å
153	D	83.1	Confident	81.5	Confident	88 Å²	88	53.4 Å²	53.4	47%	0.471	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-47.4	175.9	-76.5	-16.8	0	0	0	112.5	Q149 V151 I155 L156 H157	Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.48Å; V151-D153 VanDerWaalsContact C-N 3.27Å; V151-D153 PolarHBondContact O-N 3.39Å; D153-I155 VanDerWaalsContact C-N 3.3Å; D153-I155 PolarHBondContact O-N 3.14Å; D153-L156 PolarHBondContact O-N 3.5Å; D153-H157 PolarHBondContact O-N 3.02Å; D153-H157 PolarHBondContact O-ND1 2.91Å
154	I	84.5	Confident	81.8	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.097	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-45.5	178.6	-72.3	162.8	0	0	0	110.4	Y106 E109 A110 N150 V151 H157 L158	Y106-I154 HydrophobicContact CD1-CG1 4.46Å; Y106-I154 HydrophobicContact CD1-CG2 4.24Å; Y106-I154 WeakPolarHBondContact O-CG2 3.34Å; E109-I154 HydrophobicContact CB-CD1 4.02Å; E109-I154 HydrophobicContact CB-CG1 4.45Å; A110-I154 HydrophobicContact CB-CG2 4Å; N150-I154 WeakPolarHBondContact O-CB 3.23Å; N150-I154 WeakPolarHBondContact O-CD1 3.47Å; N150-I154 WeakPolarHBondContact O-CG1 3.49Å; N150-I154 PolarHBondContact O-N 3.35Å; V151-I154 PolarHBondContact O-N 3.45Å; I154-H157 PolarHBondContact O-N 2.91Å; I154-L158 WeakPolarHBondContact O-CB 3.41Å; I154-L158 PolarHBondContact O-N 3.22Å
155	I	80.9	Confident	82.3	Confident	29 Å²	29	54.9 Å²	54.9	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-50.9	177.4	-77.3	173	0	0	0	110.6	L16 L19 V151 D153 H157 L158 E159	L16-I155 HydrophobicContact CD1-CG2 4.07Å; L16-I155 HydrophobicContact CD2-CD1 4.26Å; L16-I155 HydrophobicContact CD2-CG2 3.23Å; L16-I155 HydrophobicContact CG-CD1 4.11Å; L16-I155 HydrophobicContact CG-CG1 4.27Å; L16-I155 HydrophobicContact CG-CG2 3.61Å; L19-I155 HydrophobicContact CD1-CD1 4.14Å; V151-I155 HydrophobicContact CG1-CD1 3.69Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 WeakPolarHBondContact O-CB 3.38Å; V151-I155 VanDerWaalsContact O-CG1 3.28Å; V151-I155 WeakPolarHBondContact O-CG1 3.5Å; V151-I155 PolarHBondContact O-N 3.38Å; D153-I155 VanDerWaalsContact C-N 3.3Å; D153-I155 PolarHBondContact O-N 3.14Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.48Å; I155-L158 PolarHBondContact O-N 3.3Å; I155-E159 HydrophobicContact CG2-CG 4.45Å; I155-E159 WeakPolarHBondContact O-CG 3.4Å; I155-E159 PolarHBondContact O-N 3.06Å
156	L	82.8	Confident	82.4	Confident	48 Å²	48	51.3 Å²	51.3	25%	0.251	25%	0.245	S	C	.	.	H	α-helix	trans	-57.3	-46.4	-179.6	176.4	61.5	0	0	0	111.5	E152 D153 I160 R378 A381	E152-L156 WeakPolarHBondContact O-CB 3.32Å; E152-L156 PolarHBondContact O-N 3.39Å; D153-L156 PolarHBondContact O-N 3.5Å; L156-I160 HydrophobicContact CD1-CD1 3.95Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.98Å; L156-I160 WeakPolarHBondContact O-CD1 3.41Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.4Å; L156-I160 PolarHBondContact O-N 3.3Å; L156-R378 HydrophobicContact CD1-CG 4.02Å; L156-A381 HydrophobicContact CD1-CB 4.5Å; L156-A381 HydrophobicContact CD2-CB 3.88Å; L156-A381 HydrophobicContact CG-CB 4.4Å
157	H	85.9	Confident	82.4	Confident	37 Å²	37	47.4 Å²	47.4	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-42.5	178.3	-73.5	79	0	0	0	112.1	Y106 D153 I154 I155 I160 I161 V385	Y106-H157 HydrophobicContact CD1-CB 4.17Å; Y106-H157 HydrophobicContact CD2-CB 4.45Å; Y106-H157 HydrophobicContact CE1-CB 3.67Å; Y106-H157 HydrophobicContact CE2-CB 4.01Å; Y106-H157 AromaticContact CZ-CD2 3.88Å; Y106-H157 AromaticContact CZ-CG 3.87Å; Y106-H157 PolarHBondContact OH-CD2 3.24Å; D153-H157 PolarHBondContact O-N 3.02Å; D153-H157 PolarHBondContact O-ND1 2.91Å; I154-H157 PolarHBondContact O-N 2.91Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.48Å; H157-I160 PolarHBondContact O-N 2.97Å; H157-I161 WeakPolarHBondContact O-CB 3.31Å; H157-I161 WeakPolarHBondContact O-CD1 3.37Å; H157-I161 VanDerWaalsContact O-CG1 3.25Å; H157-I161 WeakPolarHBondContact O-CG1 3.41Å; H157-I161 PolarHBondContact O-N 3.31Å; H157-V385 VanDerWaalsContact CD2-CG2 3.42Å; H157-V385 WeakPolarHBondContact CD2-CG2 3.48Å
158	L	85.8	Confident	82.4	Confident	13 Å²	13	47.7 Å²	47.7	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-44	179.9	-178.2	57.5	0	0	0	111.4	V12 A103 I107 I154 I155 I161 L162	V12-L158 HydrophobicContact CB-CD2 4.15Å; V12-L158 HydrophobicContact CB-CG 4.33Å; V12-L158 HydrophobicContact CG1-CD1 4.46Å; V12-L158 HydrophobicContact CG1-CD2 3.65Å; V12-L158 HydrophobicContact CG1-CG 3.62Å; V12-L158 HydrophobicContact CG2-CD1 3.81Å; V12-L158 HydrophobicContact CG2-CD2 3.8Å; V12-L158 HydrophobicContact CG2-CG 3.85Å; A103-L158 HydrophobicContact CB-CD1 3.85Å; I107-L158 HydrophobicContact CG1-CD1 4.26Å; I107-L158 HydrophobicContact CG1-CD2 4.08Å; I154-L158 WeakPolarHBondContact O-CB 3.41Å; I154-L158 PolarHBondContact O-N 3.22Å; I155-L158 PolarHBondContact O-N 3.3Å; L158-I161 PolarHBondContact O-N 3.04Å; L158-L162 WeakPolarHBondContact O-CB 3.08Å; L158-L162 WeakPolarHBondContact O-CG 3.12Å; L158-L162 PolarHBondContact O-N 3.13Å
159	E	83.8	Confident	82.5	Confident	47 Å²	47	45 Å²	45	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-46.2	174.3	-73.6	-176.2	169.9	0	0	112.4	L16 I155 I161 L162 N163 R378	L16-E159 HydrophobicContact CD1-CG 4.22Å; L16-E159 WeakPolarHBondContact CD1-OE1 3.45Å; L16-E159 WeakPolarHBondContact CD2-OE1 3.46Å; I155-E159 HydrophobicContact CG2-CG 4.45Å; I155-E159 WeakPolarHBondContact O-CG 3.4Å; I155-E159 PolarHBondContact O-N 3.06Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.4Å; E159-L162 PolarHBondContact O-N 3.34Å; E159-N163 WeakPolarHBondContact O-CB 3.5Å; E159-N163 VanDerWaalsContact O-CG 3.27Å; E159-N163 PolarHBondContact O-N 3.02Å; E159-N163 PolarHBondContact O-ND2 3.28Å; E159-R378 IonicContact OE2-CZ 3.82Å; E159-R378 IonicContact OE2-NE 3.87Å; E159-R378 IonicContact OE2-NH2 3.23Å; E159-R378 PolarHBondContact OE2-NH2 2.74Å
160	I	84.8	Confident	82.4	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-44.7	176.7	-73.4	163.5	0	0	0	110.3	L156 H157 K164 A381 N382 V385 M386	L156-I160 HydrophobicContact CD1-CD1 3.95Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.98Å; L156-I160 WeakPolarHBondContact O-CD1 3.41Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.4Å; L156-I160 PolarHBondContact O-N 3.3Å; H157-I160 PolarHBondContact O-N 2.97Å; I160-K164 WeakPolarHBondContact O-CB 3.4Å; I160-K164 PolarHBondContact O-N 3.47Å; I160-A381 HydrophobicContact CD1-CB 4.03Å; I160-N382 HydrophobicContact CD1-CB 4.33Å; I160-N382 HydrophobicContact CG1-CB 4.26Å; I160-N382 HydrophobicContact CG2-CB 4.34Å; I160-V385 HydrophobicContact CD1-CG2 4.08Å; I160-V385 HydrophobicContact CG2-CB 4.18Å; I160-V385 HydrophobicContact CG2-CG1 3.95Å; I160-M386 HydrophobicContact CG2-CE 3.48Å; I160-M386 VanDerWaalsContact CG2-CE 3.48Å
161	I	86	Confident	82.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-44.5	179.9	-71.8	164.3	0	0	0	111.3	L99 R102 A103 Y106 H157 L158 E159 K164 L165	L99-I161 HydrophobicContact CB-CG2 4.14Å; L99-I161 HydrophobicContact CD2-CG2 4.31Å; L99-I161 WeakPolarHBondContact O-CG2 3.3Å; R102-I161 HydrophobicContact CB-CD1 3.89Å; A103-I161 HydrophobicContact CB-CG2 3.84Å; Y106-I161 HydrophobicContact CD2-CD1 3.42Å; Y106-I161 VanDerWaalsContact CD2-CD1 3.42Å; Y106-I161 HydrophobicContact CE2-CD1 3.33Å; H157-I161 WeakPolarHBondContact O-CB 3.31Å; H157-I161 WeakPolarHBondContact O-CD1 3.37Å; H157-I161 VanDerWaalsContact O-CG1 3.25Å; H157-I161 WeakPolarHBondContact O-CG1 3.41Å; H157-I161 PolarHBondContact O-N 3.31Å; L158-I161 PolarHBondContact O-N 3.04Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 3.4Å; I161-K164 PolarHBondContact O-N 2.96Å; I161-L165 WeakPolarHBondContact O-CB 3.38Å; I161-L165 PolarHBondContact O-N 3.36Å
162	L	84.5	Confident	82.5	Confident	30 Å²	30	42.3 Å²	42.3	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-47.2	176.9	-79.7	-153.7	0	0	0	112.1	F8 V12 A103 L158 E159 K164 L165 G166	F8-L162 HydrophobicContact CD1-CD2 4.15Å; F8-L162 HydrophobicContact CE1-CD2 3.53Å; F8-L162 HydrophobicContact CZ-CD2 4.47Å; V12-L162 HydrophobicContact CB-CD1 3.43Å; V12-L162 VanDerWaalsContact CB-CD1 3.43Å; V12-L162 HydrophobicContact CB-CG 4.3Å; V12-L162 HydrophobicContact CG1-CD1 3.37Å; V12-L162 HydrophobicContact CG1-CG 4.07Å; V12-L162 HydrophobicContact CG2-CD1 3.53Å; V12-L162 HydrophobicContact CG2-CD2 4.03Å; V12-L162 HydrophobicContact CG2-CG 3.96Å; A103-L162 HydrophobicContact CB-CD2 4.42Å; L158-L162 WeakPolarHBondContact O-CB 3.08Å; L158-L162 WeakPolarHBondContact O-CG 3.12Å; L158-L162 PolarHBondContact O-N 3.13Å; E159-L162 PolarHBondContact O-N 3.34Å; L162-K164 VanDerWaalsContact C-N 3.26Å; L162-K164 PolarHBondContact O-N 3.34Å; L162-L165 VanDerWaalsContact O-CB 3.3Å; L162-L165 WeakPolarHBondContact O-CB 3.28Å; L162-L165 PolarHBondContact O-N 2.88Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-G166 PolarHBondContact O-N 3.49Å
163	N	82.2	Confident	82.7	Confident	77 Å²	77	43.2 Å²	43.2	41%	0.412	23%	0.231	S	C	.	.	H	α-helix	trans	-57.8	-43.8	176.5	-74.1	-20.7	0	0	0	110.6	E159 G166 Q167 R378	E159-N163 WeakPolarHBondContact O-CB 3.5Å; E159-N163 VanDerWaalsContact O-CG 3.27Å; E159-N163 PolarHBondContact O-N 3.02Å; E159-N163 PolarHBondContact O-ND2 3.28Å; N163-G166 PolarHBondContact O-N 2.88Å; N163-Q167 WeakPolarHBondContact O-CG 3.46Å; N163-R378 PolarHBondContact ND2-NH2 2.58Å
164	K	84.4	Confident	82.9	Confident	67 Å²	67	43.1 Å²	43.1	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-34.8	177.8	-162.1	73.6	-154.9	163.9	0	112.9	L99 I160 I161 L162 G166 Q167 V168 M386	L99-K164 HydrophobicContact CD1-CB 3.89Å; L99-K164 HydrophobicContact CD1-CG 3.61Å; I160-K164 WeakPolarHBondContact O-CB 3.4Å; I160-K164 PolarHBondContact O-N 3.47Å; I161-K164 PolarHBondContact O-N 2.96Å; L162-K164 VanDerWaalsContact C-N 3.26Å; L162-K164 PolarHBondContact O-N 3.34Å; K164-G166 PolarHBondContact O-N 3.27Å; K164-Q167 PolarHBondContact O-N 2.74Å; K164-V168 HydrophobicContact CG-CG1 4.22Å; K164-V168 PolarHBondContact O-N 3.48Å; K164-V168 VanDerWaalsContact O-N 3.12Å; K164-M386 HydrophobicContact CB-CE 3.55Å; K164-M386 HydrophobicContact CB-SD 4.45Å; K164-M386 HydrophobicContact CD-CE 4.17Å; K164-M386 HydrophobicContact CD-SD 4.19Å; K164-M386 HydrophobicContact CG-CE 3.7Å; K164-M386 HydrophobicContact CG-SD 3.93Å
165	L	82.8	Confident	83.1	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-37.7	174.9	-155.7	72.3	0	0	0	111.4	F8 H96 L99 R100 I161 L162 Q167 V168	F8-L165 HydrophobicContact CD1-CD2 3.85Å; F8-L165 HydrophobicContact CE1-CD2 3.23Å; F8-L165 HydrophobicContact CZ-CD2 3.86Å; H96-L165 WeakPolarHBondContact ND1-CD1 3.31Å; H96-L165 WeakPolarHBondContact O-CD1 3.38Å; L99-L165 HydrophobicContact CB-CD1 3.54Å; R100-L165 HydrophobicContact CB-CD1 4.18Å; I161-L165 WeakPolarHBondContact O-CB 3.38Å; I161-L165 PolarHBondContact O-N 3.36Å; L162-L165 VanDerWaalsContact O-CB 3.3Å; L162-L165 WeakPolarHBondContact O-CB 3.28Å; L162-L165 PolarHBondContact O-N 2.88Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L165-Q167 PolarHBondContact O-N 2.93Å; L165-V168 WeakPolarHBondContact O-CG2 3.43Å
166	G	78.6	Confident	83.6	Confident	23 Å²	23	45.2 Å²	45.2	24%	0.237	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-5.2	174.9	0	0	0	0	0	115.4	L162 N163 K164 F171	L162-G166 PolarHBondContact O-N 3.49Å; N163-G166 PolarHBondContact O-N 2.88Å; K164-G166 PolarHBondContact O-N 3.27Å; G166-F171 WeakPolarHBondContact O-CB 3.39Å
167	Q	81.4	Confident	84	Confident	84 Å²	84	47.3 Å²	47.3	39%	0.393	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-23.5	-176	-67.3	175.3	6.1	0	0	114.5	N163 K164 L165	N163-Q167 WeakPolarHBondContact O-CG 3.46Å; K164-Q167 PolarHBondContact O-N 2.74Å; L165-Q167 PolarHBondContact O-N 2.93Å
168	V	78.3	Confident	84.4	Confident	17 Å²	17	45.9 Å²	45.9	10%	0.103	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	169.8	-177.8	-68.3	0	0	0	0	112.4	H96 L99 K164 L165 G170 F171	H96-V168 HydrophobicContact CB-CG2 3.82Å; L99-V168 HydrophobicContact CD1-CG1 3.8Å; L99-V168 HydrophobicContact CD1-CG2 4.33Å; K164-V168 HydrophobicContact CG-CG1 4.22Å; K164-V168 PolarHBondContact O-N 3.48Å; K164-V168 VanDerWaalsContact O-N 3.12Å; L165-V168 WeakPolarHBondContact O-CG2 3.43Å; V168-G170 VanDerWaalsContact C-N 3.26Å; V168-G170 PolarHBondContact O-N 2.9Å; V168-G170 VanDerWaalsContact O-N 3.16Å; V168-F171 WeakPolarHBondContact O-CB 3.49Å; V168-F171 WeakPolarHBondContact O-CD2 3.36Å; V168-F171 PolarHBondContact O-N 3.33Å
169	D	77.9	Confident	84.9	Confident	61 Å²	61	45.3 Å²	45.3	33%	0.326	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	36.3	173.7	-55.5	-9.1	0	0	0	114.8	G93 H96 F171	G93-D169 VanDerWaalsContact CA-OD2 3.24Å; G93-D169 WeakPolarHBondContact CA-OD2 3.33Å; G93-D169 PolarHBondContact N-OD2 2.94Å; H96-D169 WeakPolarHBondContact CB-OD2 3.47Å; H96-D169 IonicContact CD2-OD2 2.79Å; H96-D169 IonicContact CG-OD2 2.69Å; D169-F171 HydrophobicContact CB-CD2 4.49Å; D169-F171 HydrophobicContact CB-CE2 4.38Å; D169-F171 PolarHBondContact O-N 3.32Å
170	G	79.6	Confident	85.4	Confident	28 Å²	28	44.9 Å²	44.9	29%	0.289	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-6.9	178.8	0	0	0	0	0	114.5	V168 S172 Q173 I174	V168-G170 VanDerWaalsContact C-N 3.26Å; V168-G170 PolarHBondContact O-N 2.9Å; V168-G170 VanDerWaalsContact O-N 3.16Å; G170-S172 VanDerWaalsContact C-N 3.28Å; G170-S172 PolarHBondContact O-N 3.15Å; G170-Q173 PolarHBondContact O-N 3.43Å; G170-Q173 VanDerWaalsContact O-N 3.12Å; G170-Q173 PolarHBondContact O-OE1 2.91Å; G170-I174 WeakPolarHBondContact O-CG1 3.32Å; G170-I174 PolarHBondContact O-N 2.93Å
171	F	81	Confident	85.9	Confident	61 Å²	61	48.1 Å²	48.1	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-34.9	-175.3	-70.8	-52.2	0	0	0	113.2	H96 G166 V168 D169 R175	H96-F171 AromaticContact CD2-CE2 3.67Å; G166-F171 WeakPolarHBondContact O-CB 3.39Å; V168-F171 WeakPolarHBondContact O-CB 3.49Å; V168-F171 WeakPolarHBondContact O-CD2 3.36Å; V168-F171 PolarHBondContact O-N 3.33Å; D169-F171 HydrophobicContact CB-CD2 4.49Å; D169-F171 HydrophobicContact CB-CE2 4.38Å; D169-F171 PolarHBondContact O-N 3.32Å; F171-R175 WeakPolarHBondContact O-CB 3.5Å; F171-R175 PolarHBondContact O-N 3.37Å
172	S	82.9	Confident	86.4	Confident	45 Å²	45	48 Å²	48	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-48.7	174.1	179.1	0	0	0	0	110.9	G170 I174 R175 V176	G170-S172 VanDerWaalsContact C-N 3.28Å; G170-S172 PolarHBondContact O-N 3.15Å; S172-I174 PolarHBondContact O-N 3.03Å; S172-R175 WeakPolarHBondContact O-CB 3.23Å; S172-R175 PolarHBondContact O-N 3.09Å; S172-R175 VanDerWaalsContact O-N 3.15Å; S172-V176 VanDerWaalsContact O-CG2 3.31Å; S172-V176 WeakPolarHBondContact O-CG2 3.46Å; S172-V176 PolarHBondContact O-N 3.2Å
173	Q	85.5	Confident	87	Confident	112 Å²	112	47 Å²	47	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-45.1	178.8	-66.6	85.6	-10.1	0	0	111.9	G170 R175 V176 I177	G170-Q173 PolarHBondContact O-N 3.43Å; G170-Q173 VanDerWaalsContact O-N 3.12Å; G170-Q173 PolarHBondContact O-OE1 2.91Å; Q173-R175 PolarHBondContact O-N 2.71Å; Q173-V176 PolarHBondContact O-N 2.91Å; Q173-I177 WeakPolarHBondContact O-CB 3.01Å; Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.4Å; Q173-I177 PolarHBondContact O-N 3.4Å
174	I	86.3	Confident	87.7	Confident	85 Å²	85	48.6 Å²	48.6	44%	0.436	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-40.4	176	-68.3	167.4	0	0	0	110.6	G170 S172 G178	G170-I174 WeakPolarHBondContact O-CG1 3.32Å; G170-I174 PolarHBondContact O-N 2.93Å; S172-I174 PolarHBondContact O-N 3.03Å; I174-G178 PolarHBondContact O-N 3.41Å
175	R	88.8	Confident	88.2	Confident	72 Å²	72	50.1 Å²	50.1	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-67	-50.6	179	-163.8	-172.1	-54.1	-143.9	7	112	F171 S172 Q173 I177 G178 L179 L304 D501	F171-R175 WeakPolarHBondContact O-CB 3.5Å; F171-R175 PolarHBondContact O-N 3.37Å; S172-R175 WeakPolarHBondContact O-CB 3.23Å; S172-R175 PolarHBondContact O-N 3.09Å; S172-R175 VanDerWaalsContact O-N 3.15Å; Q173-R175 PolarHBondContact O-N 2.71Å; R175-I177 PolarHBondContact O-N 3.25Å; R175-G178 PolarHBondContact O-N 2.92Å; R175-L179 HydrophobicContact CG-CD1 3.9Å; R175-L179 HydrophobicContact CG-CG 4.37Å; R175-L179 WeakPolarHBondContact O-CB 3.27Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.25Å; R175-L179 PolarHBondContact O-N 3.13Å; R175-L304 VanDerWaalsContact CD-O 3.27Å; R175-L304 WeakPolarHBondContact CD-O 3.49Å; R175-L304 HydrophobicContact CG-CB 4.48Å; R175-L304 VanDerWaalsContact CG-O 3.25Å; R175-L304 WeakPolarHBondContact CG-O 3.42Å; R175-D501 IonicContact NH1-OD2 2.78Å; R175-D501 PolarHBondContact NH1-OD2 3.05Å; R175-D501 VanDerWaalsContact NH1-OD2 3.13Å
176	V	91.4	Very high	88.9	Confident	21 Å²	21	49.3 Å²	49.3	13%	0.127	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-51.8	178.9	168.4	0	0	0	0	110.8	S172 Q173 N180 H496 M497	S172-V176 VanDerWaalsContact O-CG2 3.31Å; S172-V176 WeakPolarHBondContact O-CG2 3.46Å; S172-V176 PolarHBondContact O-N 3.2Å; Q173-V176 PolarHBondContact O-N 2.91Å; V176-N180 WeakPolarHBondContact O-CB 3.33Å; V176-N180 PolarHBondContact O-N 3.49Å; V176-H496 WeakPolarHBondContact CG1-O 3.42Å; V176-H496 WeakPolarHBondContact CG2-O 3.29Å; V176-M497 HydrophobicContact CG1-CE 4.26Å; V176-M497 HydrophobicContact CG1-SD 3.64Å
177	I	92.1	Very high	89.8	Confident	92 Å²	92	50.3 Å²	50.3	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-45.8	-179.3	-65.7	167.2	0	0	0	110.7	Q173 R175 N180 N181	Q173-I177 WeakPolarHBondContact O-CB 3.01Å; Q173-I177 VanDerWaalsContact O-CG1 3.28Å; Q173-I177 WeakPolarHBondContact O-CG1 3.4Å; Q173-I177 PolarHBondContact O-N 3.4Å; R175-I177 PolarHBondContact O-N 3.25Å; I177-N180 PolarHBondContact O-N 2.94Å; I177-N181 WeakPolarHBondContact O-CB 3.29Å; I177-N181 PolarHBondContact O-N 3.18Å; I177-N181 PolarHBondContact O-OD1 3.37Å
178	G	94.1	Very high	90.5	Very high	7 Å²	7	52.4 Å²	52.4	7%	0.072	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-45	-179.3	0	0	0	0	0	113	I174 R175 N181 L182	I174-G178 PolarHBondContact O-N 3.41Å; R175-G178 PolarHBondContact O-N 2.92Å; G178-N181 PolarHBondContact O-N 3.4Å; G178-L182 WeakPolarHBondContact O-CG 3.47Å; G178-L182 PolarHBondContact O-N 2.95Å
179	L	95.6	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-40.6	176.7	-70.3	173.9	0	0	0	111.8	R175 L182 A183 L301 L304 H305 H496 G500 D501	R175-L179 HydrophobicContact CG-CD1 3.9Å; R175-L179 HydrophobicContact CG-CG 4.37Å; R175-L179 WeakPolarHBondContact O-CB 3.27Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.25Å; R175-L179 PolarHBondContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 3.47Å; L179-A183 WeakPolarHBondContact O-CB 3.15Å; L179-A183 PolarHBondContact O-N 3.39Å; L179-L301 HydrophobicContact CD2-CD1 4.06Å; L179-L304 HydrophobicContact CD2-CB 3.67Å; L179-L304 HydrophobicContact CG-CB 4.01Å; L179-H305 HydrophobicContact CD2-CB 4.02Å; L179-H496 HydrophobicContact CB-CB 3.89Å; L179-G500 WeakPolarHBondContact CD1-O 3.39Å; L179-D501 HydrophobicContact CD1-CB 4.37Å
180	N	95.5	Very high	92.2	Very high	39 Å²	39	52 Å²	52	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-43.3	174.8	-176.7	72.7	0	0	0	112	V176 I177 A183 Q184 H496 M497	V176-N180 WeakPolarHBondContact O-CB 3.33Å; V176-N180 PolarHBondContact O-N 3.49Å; I177-N180 PolarHBondContact O-N 2.94Å; N180-A183 PolarHBondContact O-N 2.89Å; N180-Q184 PolarHBondContact ND2-NE2 2.97Å; N180-Q184 WeakPolarHBondContact O-CG 3.39Å; N180-Q184 PolarHBondContact O-N 3.37Å; N180-H496 HydrophobicContact CB-CB 4.5Å; N180-M497 HydrophobicContact CB-SD 3.97Å
181	N	95.4	Very high	93.1	Very high	71 Å²	71	53 Å²	53	38%	0.38	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-36.9	177.4	-68.9	-9.2	0	0	0	112.5	I177 G178 R185	I177-N181 WeakPolarHBondContact O-CB 3.29Å; I177-N181 PolarHBondContact O-N 3.18Å; I177-N181 PolarHBondContact O-OD1 3.37Å; G178-N181 PolarHBondContact O-N 3.4Å; N181-R185 WeakPolarHBondContact O-CG 3.24Å; N181-R185 PolarHBondContact O-N 3.39Å; N181-R185 VanDerWaalsContact O-N 3.15Å; N181-R185 PolarHBondContact O-NE 2.93Å
182	L	95.8	Very high	93.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-47.2	170.9	-82.6	169.4	0	0	0	111.3	G178 L179 R185 L186 M297 E300 L301 L304 W311	G178-L182 WeakPolarHBondContact O-CG 3.47Å; G178-L182 PolarHBondContact O-N 2.95Å; L179-L182 PolarHBondContact O-N 3.47Å; L182-R185 VanDerWaalsContact CG-NH2 3.34Å; L182-R185 PolarHBondContact O-N 3.28Å; L182-L186 PolarHBondContact O-N 2.94Å; L182-M297 HydrophobicContact CD2-CB 3.91Å; L182-M297 HydrophobicContact CD2-CG 4.13Å; L182-E300 HydrophobicContact CD1-CB 4.22Å; L182-E300 HydrophobicContact CD1-CG 3.94Å; L182-E300 HydrophobicContact CD2-CB 4.18Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.25Å; L182-L301 HydrophobicContact CD1-CB 4.13Å; L182-L301 HydrophobicContact CD1-CD1 4.21Å; L182-L304 HydrophobicContact CD1-CD1 3.84Å; L182-W311 HydrophobicContact CB-CH2 3.9Å; L182-W311 HydrophobicContact CB-CZ2 3.91Å
183	A	97	Very high	94.4	Very high	7 Å²	7	55 Å²	55	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-48.1	179.1	0	0	0	0	0	111.6	L179 N180 R185 L186 Q187 W311 H496	L179-A183 WeakPolarHBondContact O-CB 3.15Å; L179-A183 PolarHBondContact O-N 3.39Å; N180-A183 PolarHBondContact O-N 2.89Å; A183-R185 VanDerWaalsContact C-N 3.34Å; A183-R185 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.17Å; A183-Q187 WeakPolarHBondContact O-CB 3.28Å; A183-Q187 VanDerWaalsContact O-CG 3.24Å; A183-Q187 WeakPolarHBondContact O-CG 3.38Å; A183-Q187 PolarHBondContact O-N 3.3Å; A183-W311 HydrophobicContact CB-CZ2 3.88Å; A183-H496 VanDerWaalsContact CB-CE1 3.41Å; A183-H496 WeakPolarHBondContact CB-CE1 3.39Å
184	Q	96.9	Very high	95	Very high	112 Å²	112	49.8 Å²	49.8	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-43.1	177.6	-72.9	177.4	-2.6	0	0	112.4	N180 K188	N180-Q184 PolarHBondContact ND2-NE2 2.97Å; N180-Q184 WeakPolarHBondContact O-CG 3.39Å; N180-Q184 PolarHBondContact O-N 3.37Å; Q184-K188 VanDerWaalsContact O-CB 3.24Å; Q184-K188 WeakPolarHBondContact O-CB 3.48Å; Q184-K188 PolarHBondContact O-N 3.48Å
185	R	96.3	Very high	95.5	Very high	99 Å²	99	46.5 Å²	46.5	37%	0.374	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-45.3	175.3	-77.9	-179.5	-68.8	174.9	-6.7	111.9	N181 L182 A183 K188 K189 M297 E300	N181-R185 WeakPolarHBondContact O-CG 3.24Å; N181-R185 PolarHBondContact O-N 3.39Å; N181-R185 VanDerWaalsContact O-N 3.15Å; N181-R185 PolarHBondContact O-NE 2.93Å; L182-R185 VanDerWaalsContact CG-NH2 3.34Å; L182-R185 PolarHBondContact O-N 3.28Å; A183-R185 VanDerWaalsContact C-N 3.34Å; A183-R185 PolarHBondContact O-N 3.35Å; R185-K188 PolarHBondContact O-N 3.33Å; R185-K189 WeakPolarHBondContact O-CG 3.42Å; R185-K189 PolarHBondContact O-N 3.24Å; R185-M297 HydrophobicContact CB-CE 4.01Å; R185-E300 IonicContact CZ-OE2 3Å; R185-E300 IonicContact NH1-OE2 2.97Å; R185-E300 PolarHBondContact NH1-OE2 3.41Å; R185-E300 IonicContact NH2-OE1 3.35Å; R185-E300 PolarHBondContact NH2-OE1 2.63Å; R185-E300 IonicContact NH2-OE2 3.52Å; R185-E300 PolarHBondContact NH2-OE2 2.71Å
186	L	96	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-49.1	179.4	178.4	58	0	0	0	112.1	L182 A183 K188 K189 I190 F230 P294 M297 W311 F312 Q315	L182-L186 PolarHBondContact O-N 2.94Å; A183-L186 PolarHBondContact O-N 3.17Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.67Å; L186-K189 PolarHBondContact O-N 3.19Å; L186-K189 VanDerWaalsContact O-N 3.13Å; L186-I190 HydrophobicContact CD1-CD1 3.99Å; L186-I190 HydrophobicContact CD1-CG1 4.1Å; L186-I190 HydrophobicContact CG-CD1 3.91Å; L186-I190 HydrophobicContact CG-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 3.26Å; L186-F230 HydrophobicContact CD1-CE1 4.03Å; L186-F230 HydrophobicContact CD1-CZ 3.85Å; L186-P294 HydrophobicContact CD1-CG 4.46Å; L186-M297 HydrophobicContact CB-CE 4.19Å; L186-M297 HydrophobicContact CB-SD 3.92Å; L186-M297 HydrophobicContact CD1-SD 4.29Å; L186-W311 HydrophobicContact CB-CH2 4.49Å; L186-W311 HydrophobicContact CD2-CH2 4.03Å; L186-W311 HydrophobicContact CD2-CZ3 3.74Å; L186-F312 HydrophobicContact CD1-CD2 4.5Å; L186-F312 HydrophobicContact CD1-CE2 3.78Å; L186-F312 HydrophobicContact CD2-CD2 3.42Å; L186-F312 VanDerWaalsContact CD2-CD2 3.42Å; L186-F312 HydrophobicContact CD2-CE2 3.52Å; L186-F312 HydrophobicContact CG-CE2 4.28Å; L186-Q315 HydrophobicContact CD2-CB 3.64Å; L186-Q315 HydrophobicContact CD2-CG 3.89Å
187	Q	97.3	Very high	96.1	Very high	43 Å²	43	49.4 Å²	49.4	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-41.1	176.9	-68.3	-63.9	-36	0	0	111.3	A183 I190 Q191 Q315	A183-Q187 WeakPolarHBondContact O-CB 3.28Å; A183-Q187 VanDerWaalsContact O-CG 3.24Å; A183-Q187 WeakPolarHBondContact O-CG 3.38Å; A183-Q187 PolarHBondContact O-N 3.3Å; Q187-I190 PolarHBondContact O-N 2.87Å; Q187-Q191 WeakPolarHBondContact O-CB 3.26Å; Q187-Q191 PolarHBondContact O-N 3.18Å; Q187-Q315 PolarHBondContact NE2-O 3Å
188	K	97	Very high	96.2	Very high	129 Å²	129	48.2 Å²	48.2	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-48.2	174.5	179.7	177.2	171.6	-179.8	0	111.9	Q184 R185 L186 I190 Q191 E192	Q184-K188 VanDerWaalsContact O-CB 3.24Å; Q184-K188 WeakPolarHBondContact O-CB 3.48Å; Q184-K188 PolarHBondContact O-N 3.48Å; R185-K188 PolarHBondContact O-N 3.33Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.67Å; K188-I190 PolarHBondContact O-N 2.85Å; K188-Q191 PolarHBondContact O-N 3.48Å; K188-E192 WeakPolarHBondContact CE-OE1 3.26Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 IonicContact NZ-OE1 2.67Å; K188-E192 WeakPolarHBondContact O-CB 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.23Å; K188-E192 PolarHBondContact O-N 2.83Å
189	K	96	Very high	96.3	Very high	69 Å²	69	48.6 Å²	48.6	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-44.9	177	-75.9	-167.4	178	-168.1	0	112.3	R185 L186 E192 Q193 F230 D296 M297	R185-K189 WeakPolarHBondContact O-CG 3.42Å; R185-K189 PolarHBondContact O-N 3.24Å; L186-K189 PolarHBondContact O-N 3.19Å; L186-K189 VanDerWaalsContact O-N 3.13Å; K189-E192 PolarHBondContact O-N 3.11Å; K189-Q193 WeakPolarHBondContact O-CB 3.34Å; K189-Q193 PolarHBondContact O-N 3.25Å; K189-F230 HydrophobicContact CB-CE2 3.97Å; K189-F230 HydrophobicContact CB-CZ 3.96Å; K189-F230 HydrophobicContact CD-CZ 4.21Å; K189-D296 WeakPolarHBondContact CE-OD2 3.35Å; K189-D296 IonicContact NZ-OD1 3.62Å; K189-D296 PolarHBondContact NZ-OD1 3.11Å; K189-D296 VanDerWaalsContact NZ-OD1 3.07Å; K189-D296 IonicContact NZ-OD2 3.79Å; K189-D296 PolarHBondContact NZ-OD2 3.36Å; K189-M297 HydrophobicContact CD-CE 3.76Å; K189-M297 HydrophobicContact CG-CE 4.49Å
190	I	96.5	Very high	96.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-46.6	177.2	-62.4	166.8	0	0	0	109.7	L186 Q187 K188 E192 Q193 Q194 L226 F230 L316 Y319	L186-I190 HydrophobicContact CD1-CD1 3.99Å; L186-I190 HydrophobicContact CD1-CG1 4.1Å; L186-I190 HydrophobicContact CG-CD1 3.91Å; L186-I190 HydrophobicContact CG-CG1 4.46Å; L186-I190 WeakPolarHBondContact O-CG1 3.25Å; L186-I190 PolarHBondContact O-N 3.26Å; Q187-I190 PolarHBondContact O-N 2.87Å; K188-I190 PolarHBondContact O-N 2.85Å; I190-E192 PolarHBondContact O-N 3.21Å; I190-Q193 PolarHBondContact O-N 3.32Å; I190-Q194 HydrophobicContact CG2-CG 4.21Å; I190-Q194 WeakPolarHBondContact O-CB 3.27Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.41Å; I190-Q194 PolarHBondContact O-N 3.18Å; I190-L226 HydrophobicContact CG2-CD1 4.23Å; I190-L226 HydrophobicContact CG2-CD2 4.45Å; I190-F230 HydrophobicContact CG1-CD2 3.98Å; I190-F230 HydrophobicContact CG1-CE2 3.84Å; I190-F230 HydrophobicContact CG1-CZ 4.47Å; I190-L316 HydrophobicContact CD1-CD2 3.96Å; I190-Y319 HydrophobicContact CB-CD2 4.12Å; I190-Y319 HydrophobicContact CB-CE2 4.17Å; I190-Y319 HydrophobicContact CG2-CD1 3.73Å; I190-Y319 HydrophobicContact CG2-CD2 3.65Å; I190-Y319 HydrophobicContact CG2-CE1 3.74Å; I190-Y319 HydrophobicContact CG2-CE2 3.65Å; I190-Y319 HydrophobicContact CG2-CG 3.7Å
191	Q	97.3	Very high	95.9	Very high	48 Å²	48	61.9 Å²	61.9	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-47.3	177.5	-178.6	73.2	22.9	0	0	112.1	Q187 K188 Q194 N195 E260 Y319	Q187-Q191 WeakPolarHBondContact O-CB 3.26Å; Q187-Q191 PolarHBondContact O-N 3.18Å; K188-Q191 PolarHBondContact O-N 3.48Å; Q191-Q194 PolarHBondContact O-N 3Å; Q191-N195 PolarHBondContact NE2-ND2 2.88Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.4Å; Q191-N195 VanDerWaalsContact O-N 3.11Å; Q191-N195 PolarHBondContact O-ND2 3.21Å; Q191-E260 PolarHBondContact NE2-OE1 2.88Å; Q191-E260 VanDerWaalsContact NE2-OE1 3.17Å; Q191-Y319 HydrophobicContact CB-CE2 4.11Å; Q191-Y319 PolarHBondContact OE1-OH 3.35Å; Q191-Y319 VanDerWaalsContact OE1-OH 3.13Å
192	E	96.5	Very high	95.9	Very high	110 Å²	110	59.1 Å²	59.1	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-45.3	179.3	-74.3	172.7	164.4	0	0	111.2	K188 K189 I190 N195	K188-E192 WeakPolarHBondContact CE-OE1 3.26Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 IonicContact NZ-OE1 2.67Å; K188-E192 WeakPolarHBondContact O-CB 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.23Å; K188-E192 PolarHBondContact O-N 2.83Å; K189-E192 PolarHBondContact O-N 3.11Å; I190-E192 PolarHBondContact O-N 3.21Å; E192-N195 CarbonylContact O-C 3.51Å; E192-N195 PolarHBondContact O-N 3.36Å
193	Q	96	Very high	95.9	Very high	38 Å²	38	64.5 Å²	64.5	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-40.4	178.4	-175	175.9	-43.8	0	0	112.7	K189 I190 N195 A229 F230 R234 V235	K189-Q193 WeakPolarHBondContact O-CB 3.34Å; K189-Q193 PolarHBondContact O-N 3.25Å; I190-Q193 PolarHBondContact O-N 3.32Å; Q193-N195 PolarHBondContact O-N 3.02Å; Q193-A229 PolarHBondContact NE2-O 3.44Å; Q193-F230 PolarHBondContact NE2-O 3.35Å; Q193-R234 VanDerWaalsContact NE2-N 3.14Å; Q193-R234 PolarHBondContact NE2-O 2.88Å; Q193-V235 WeakPolarHBondContact O-CG2 3.5Å
194	Q	97.7	Very high	95.9	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-71.8	-14.7	177.4	-68.2	-60.1	-48.6	0	0	112.8	I190 Q191 P196 L226 L236 L258 S259 Y319	I190-Q194 HydrophobicContact CG2-CG 4.21Å; I190-Q194 WeakPolarHBondContact O-CB 3.27Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.41Å; I190-Q194 PolarHBondContact O-N 3.18Å; Q191-Q194 PolarHBondContact O-N 3Å; Q194-P196 VanDerWaalsContact C-CD 3.41Å; Q194-P196 WeakPolarHBondContact O-CD 3.42Å; Q194-L226 HydrophobicContact CG-CD1 4.42Å; Q194-L236 VanDerWaalsContact NE2-N 3.13Å; Q194-L236 PolarHBondContact OE1-O 3.1Å; Q194-L258 WeakPolarHBondContact CB-O 3.3Å; Q194-S259 WeakPolarHBondContact O-CB 3.41Å; Q194-S259 PolarHBondContact O-OG 2.91Å; Q194-Y319 WeakPolarHBondContact CB-OH 3.46Å; Q194-Y319 HydrophobicContact CG-CE1 4.06Å
195	N	97.5	Very high	95.9	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.091	29%	0.288	C	S	.	.	S	Bend	trans	-126.1	60	-174.8	-65.1	-83.1	0	0	0	112.7	Q191 E192 Q193 E260 K261	Q191-N195 PolarHBondContact NE2-ND2 2.88Å; Q191-N195 WeakPolarHBondContact O-CB 3.39Å; Q191-N195 PolarHBondContact O-N 3.4Å; Q191-N195 VanDerWaalsContact O-N 3.11Å; Q191-N195 PolarHBondContact O-ND2 3.21Å; E192-N195 CarbonylContact O-C 3.51Å; E192-N195 PolarHBondContact O-N 3.36Å; Q193-N195 PolarHBondContact O-N 3.02Å; N195-E260 WeakPolarHBondContact OD1-CB 3.3Å; N195-E260 PolarHBondContact OD1-N 2.92Å; N195-K261 HydrophobicContact CB-CD 4.22Å; N195-K261 PolarHBondContact O-NZ 3.3Å
196	P	96.7	Very high	95.8	Very high	29 Å²	29	54.7 Å²	54.7	19%	0.188	27%	0.274	C	S	.	.			trans	-57.7	162.7	-179.2	28.3	-36.9	0	0	0	111.8	Q194 D198 A202 V235 K261 C262	Q194-P196 VanDerWaalsContact C-CD 3.41Å; Q194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-D198 VanDerWaalsContact C-N 3.3Å; P196-D198 PolarHBondContact O-N 3.18Å; P196-A202 HydrophobicContact CB-CB 4.16Å; P196-A202 HydrophobicContact CG-CB 3.66Å; P196-V235 HydrophobicContact CG-CG2 3.75Å; P196-K261 WeakPolarHBondContact O-CD 3.05Å; P196-K261 PolarHBondContact O-NZ 3.36Å; P196-C262 VanDerWaalsContact CG-SG 3.55Å
197	S	94.9	Very high	95.6	Very high	125 Å²	125	54.8 Å²	54.8	87%	0.874	27%	0.274	S	S	*	.	S	Bend	trans	-66	-33.5	176.9	52.4	0	0	0	0	112.7
198	D	94.5	Very high	95.2	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	27%	0.269	S	S	.	.			trans	-138.2	111	179.5	-176.2	-2.2	0	0	0	110.9	P196 K200 M201 A202	P196-D198 VanDerWaalsContact C-N 3.3Å; P196-D198 PolarHBondContact O-N 3.18Å; D198-K200 PolarHBondContact O-N 3.36Å; D198-K200 WeakPolarHBondContact OD1-CB 3.41Å; D198-K200 PolarHBondContact OD1-N 2.91Å; D198-M201 HydrophobicContact CB-CB 4.39Å; D198-M201 HydrophobicContact CB-CG 4.44Å; D198-M201 PolarHBondContact O-N 3.01Å; D198-M201 WeakPolarHBondContact OD2-CG 3.5Å; D198-A202 PolarHBondContact O-N 2.79Å; D198-A202 VanDerWaalsContact O-N 3.14Å
199	C	95.1	Very high	94.6	Very high	15 Å²	15	47.4 Å²	47.4	10%	0.101	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.4	178	-63.4	0	0	0	0	112.9	Y204 K261 C262 D266	C199-Y204 WeakPolarHBondContact CA-OH 3.43Å; C199-Y204 WeakPolarHBondContact CB-OH 3.44Å; C199-Y204 PolarHBondContact O-OH 2.98Å; C199-K261 PolarHBondContact SG-O 2.93Å; C199-C262 HydrophobicContact CB-CB 3.88Å; C199-C262 WeakPolarHBondContact CB-SG 3.09Å; C199-C262 WeakPolarHBondContact SG-CA 3.31Å; C199-C262 WeakPolarHBondContact SG-CB 3.33Å; C199-C262 PolarHBondContact SG-N 2.92Å; C199-C262 VanDerWaalsContact SG-N 3.41Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.11Å; C199-D266 HydrophobicContact CB-CB 4.4Å
200	K	91.2	Very high	93.7	Very high	164 Å²	164	45.1 Å²	45.1	71%	0.713	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.2	176.7	-61.8	-178.8	179.9	178.8	0	112	D198 R270	D198-K200 PolarHBondContact O-N 3.36Å; D198-K200 WeakPolarHBondContact OD1-CB 3.41Å; D198-K200 PolarHBondContact OD1-N 2.91Å; K200-R270 PolarHBondContact O-NH1 2.83Å
201	M	92	Very high	92.3	Very high	154 Å²	154	49 Å²	49	76%	0.759	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-17	178.4	-64.9	-64.4	-178.2	0	0	113.3	D198	D198-M201 HydrophobicContact CB-CB 4.39Å; D198-M201 HydrophobicContact CB-CG 4.44Å; D198-M201 PolarHBondContact O-N 3.01Å; D198-M201 WeakPolarHBondContact OD2-CG 3.5Å
202	A	95.3	Very high	91	Very high	12 Å²	12	51 Å²	51	10%	0.099	27%	0.265	C	S	.	.			trans	-63.1	153.4	178.2	0	0	0	0	0	112.1	P196 D198 Y204 V235 R270	P196-A202 HydrophobicContact CB-CB 4.16Å; P196-A202 HydrophobicContact CG-CB 3.66Å; D198-A202 PolarHBondContact O-N 2.79Å; D198-A202 VanDerWaalsContact O-N 3.14Å; A202-Y204 HydrophobicContact CB-CE2 4.19Å; A202-Y204 WeakPolarHBondContact O-CE2 3.19Å; A202-V235 HydrophobicContact CB-CG2 4.2Å; A202-R270 PolarHBondContact O-NH1 3.15Å; A202-R270 VanDerWaalsContact O-NH1 3.11Å; A202-R270 PolarHBondContact O-NH2 3.2Å
203	K	96.6	Very high	90.2	Very high	113 Å²	113	47.4 Å²	47.4	49%	0.491	25%	0.252	S	S	.	.			trans	-103.9	150.3	171.1	-67.8	-180	-179.4	171.6	0	109.2	R234 V235	K203-R234 HydrophobicContact CB-CG 3.63Å; K203-R234 CarbonylContact O-C 3.57Å; K203-R234 VanDerWaalsContact O-CA 3.3Å; K203-R234 WeakPolarHBondContact O-CA 3.4Å; K203-R234 WeakPolarHBondContact O-CB 3.45Å; K203-V235 PolarHBondContact O-N 2.89Å
204	Y	97.2	Very high	89.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.3	-171.6	-62.2	-83.6	0	0	0	113.6	C199 A202 R234 V235 V237 C262 D266 T267 I274	C199-Y204 WeakPolarHBondContact CA-OH 3.43Å; C199-Y204 WeakPolarHBondContact CB-OH 3.44Å; C199-Y204 PolarHBondContact O-OH 2.98Å; A202-Y204 HydrophobicContact CB-CE2 4.19Å; A202-Y204 WeakPolarHBondContact O-CE2 3.19Å; Y204-R234 PolarHBondContact O-NH1 2.89Å; Y204-V235 CarbonylContact C-O 3.59Å; Y204-V235 WeakPolarHBondContact CA-O 3.25Å; Y204-V235 HydrophobicContact CD1-CB 3.69Å; Y204-V235 HydrophobicContact CD1-CG1 4.13Å; Y204-V235 HydrophobicContact CE1-CB 3.73Å; Y204-V235 HydrophobicContact CE1-CG1 3.96Å; Y204-V235 HydrophobicContact CE1-CG2 4.28Å; Y204-V237 HydrophobicContact CD1-CG2 3.53Å; Y204-V237 HydrophobicContact CE1-CG2 3.82Å; Y204-C262 HydrophobicContact CE1-CB 4.03Å; Y204-D266 HydrophobicContact CE2-CB 4.33Å; Y204-D266 WeakPolarHBondContact OH-CB 3.31Å; Y204-T267 HydrophobicContact CD1-CG2 3.77Å; Y204-T267 HydrophobicContact CD2-CG2 4.09Å; Y204-T267 HydrophobicContact CE1-CG2 4.2Å; Y204-T267 HydrophobicContact CG-CG2 3.7Å; Y204-I274 PolarHBondContact O-N 2.79Å
205	V	96.1	Very high	88.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.7	152	170.5	0	0	0	0	106.8	L228 A229 R234 V235 L236 V237 I274 C276	V205-L228 HydrophobicContact CG1-CD2 4.34Å; V205-L228 HydrophobicContact CG2-CG 4.41Å; V205-A229 HydrophobicContact CB-CB 3.87Å; V205-A229 HydrophobicContact CG2-CB 3.91Å; V205-R234 HydrophobicContact CG2-CB 3.94Å; V205-V235 PolarHBondContact N-O 2.88Å; V205-L236 HydrophobicContact CB-CD1 4.4Å; V205-L236 HydrophobicContact CG1-CD1 4Å; V205-L236 WeakPolarHBondContact O-CA 3.36Å; V205-V237 PolarHBondContact O-N 2.73Å; V205-I274 CarbonylContact C-O 3.47Å; V205-I274 VanDerWaalsContact CA-O 3.22Å; V205-I274 WeakPolarHBondContact CA-O 3.42Å; V205-I274 HydrophobicContact CG2-CB 4.06Å; V205-I274 HydrophobicContact CG2-CG2 4.31Å; V205-C276 HydrophobicContact CG1-CB 3.88Å
206	T	94.5	Very high	88.4	Confident	13 Å²	13	48.1 Å²	48.1	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.3	-179.3	60.7	0	0	0	0	111.1	V237 K239 T267 N273 I274 C276	T206-V237 WeakPolarHBondContact CA-O 3.37Å; T206-K239 HydrophobicContact CG2-CD 4.35Å; T206-T267 HydrophobicContact CG2-CG2 3.94Å; T206-N273 HydrophobicContact CG2-CB 4.27Å; T206-I274 PolarHBondContact N-O 2.59Å; T206-C276 PolarHBondContact O-N 3.47Å
207	F	91.7	Very high	87.9	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.2	176.6	176.5	-121.9	0	0	0	109.9	I209 Q221 I222 C225 L236 V237 V238 K239 C276 Y278	F207-I209 HydrophobicContact CD1-CG1 4Å; F207-I209 HydrophobicContact CE1-CD1 4.4Å; F207-I209 HydrophobicContact CE1-CG1 3.69Å; F207-Q221 HydrophobicContact CD2-CG 4.31Å; F207-Q221 HydrophobicContact CE1-CG 3.96Å; F207-Q221 HydrophobicContact CE2-CG 3.41Å; F207-Q221 VanDerWaalsContact CE2-CG 3.41Å; F207-Q221 HydrophobicContact CZ-CB 4.17Å; F207-Q221 HydrophobicContact CZ-CG 3.21Å; F207-I222 HydrophobicContact CD1-CG1 4.08Å; F207-I222 HydrophobicContact CE1-CG1 3.86Å; F207-C225 HydrophobicContact CB-CB 4.3Å; F207-C225 VanDerWaalsContact CD2-SG 3.6Å; F207-C225 VanDerWaalsContact CG-SG 3.59Å; F207-L236 HydrophobicContact CB-CD1 4.39Å; F207-V237 PolarHBondContact N-O 2.98Å; F207-V238 HydrophobicContact CD1-CG1 4.38Å; F207-V238 CarbonylContact O-C 3.56Å; F207-V238 WeakPolarHBondContact O-CA 3.35Å; F207-K239 PolarHBondContact O-N 3.22Å; F207-C276 HydrophobicContact CB-CB 4.07Å; F207-C276 HydrophobicContact CD2-CB 4.22Å; F207-Y278 HydrophobicContact CD2-CE1 4.31Å; F207-Y278 AromaticContact CE2-CD1 3.55Å; F207-Y278 HydrophobicContact CE2-CD1 3.55Å; F207-Y278 AromaticContact CE2-CE1 3.33Å; F207-Y278 HydrophobicContact CE2-CE1 3.33Å; F207-Y278 HydrophobicContact CE2-CG 4.47Å; F207-Y278 HydrophobicContact CZ-CD1 4.19Å; F207-Y278 AromaticContact CZ-CE1 3.85Å; F207-Y278 HydrophobicContact CZ-CE1 3.85Å
208	D	88.4	Confident	87.6	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.5	175	-163.5	16.1	0	0	0	109.1	T210 Y241 R242 Y278	D208-T210 PolarHBondContact O-N 2.84Å; D208-Y241 PolarHBondContact OD1-N 3.12Å; D208-Y241 VanDerWaalsContact OD1-N 3.11Å; D208-R242 VanDerWaalsContact OD2-CD 3.3Å; D208-R242 WeakPolarHBondContact OD2-CD 3.41Å; D208-R242 WeakPolarHBondContact OD2-CG 3.39Å; D208-R242 IonicContact OD2-NE 3.58Å; D208-Y278 WeakPolarHBondContact O-CE1 3.16Å; D208-Y278 VanDerWaalsContact O-CZ 3.24Å; D208-Y278 PolarHBondContact O-OH 2.97Å
209	I	85.3	Confident	87.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.			trans	-76.2	127.7	178	-65.2	-165.8	0	0	0	109.4	F207 I222 V238 K239 N240 S243 D245 H248	F207-I209 HydrophobicContact CD1-CG1 4Å; F207-I209 HydrophobicContact CE1-CD1 4.4Å; F207-I209 HydrophobicContact CE1-CG1 3.69Å; I209-I222 HydrophobicContact CD1-CD1 3.92Å; I209-V238 HydrophobicContact CD1-CG1 3.34Å; I209-V238 HydrophobicContact CG1-CG1 3.47Å; I209-V238 VanDerWaalsContact CG1-CG1 3.47Å; I209-K239 PolarHBondContact N-O 3.43Å; I209-N240 PolarHBondContact O-OD1 3.18Å; I209-S243 PolarHBondContact O-OG 3.21Å; I209-S243 VanDerWaalsContact O-OG 3.14Å; I209-D245 HydrophobicContact CG2-CB 3.8Å; I209-D245 WeakPolarHBondContact CG2-OD2 3.17Å; I209-H248 HydrophobicContact CB-CB 4.43Å; I209-H248 HydrophobicContact CD1-CB 4.02Å; I209-H248 HydrophobicContact CG2-CB 4.38Å
210	T	76.2	Confident	87.3	Confident	22 Å²	22	38.4 Å²	38.4	14%	0.135	20%	0.204	C	C	.	.			trans	-126.9	147.3	173.6	50.2	0	0	0	0	109.5	D208 M212 L218 Y278	D208-T210 PolarHBondContact O-N 2.84Å; T210-M212 PolarHBondContact O-N 3.37Å; T210-M212 WeakPolarHBondContact OG1-CE 3.31Å; T210-M212 WeakPolarHBondContact OG1-CG 3.38Å; T210-L218 WeakPolarHBondContact O-CD2 3.45Å; T210-Y278 WeakPolarHBondContact CG2-OH 3.44Å; T210-Y278 VanDerWaalsContact OG1-CE1 3.31Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.46Å; T210-Y278 PolarHBondContact OG1-OH 3.1Å; T210-Y278 VanDerWaalsContact OG1-OH 3.08Å
211	N	67.6	Low	87.1	Confident	82 Å²	82	31 Å²	31	44%	0.439	17%	0.172	S	C	.	.	S	Bend	trans	-72.6	42.6	-179.4	-74.6	-62	0	0	0	113.1	D245	N211-D245 VanDerWaalsContact CG-OD2 3.31Å; N211-D245 PolarHBondContact OD1-OD2 2.93Å
212	M	70.4	Confident	87.1	Confident	89 Å²	89	23.6 Å²	23.6	44%	0.438	14%	0.136	S	C	.	.	S	Bend	trans	-78.8	-22.9	-173.8	-66.7	-168.3	-54	0	0	114	T210 Y278 I280	T210-M212 PolarHBondContact O-N 3.37Å; T210-M212 WeakPolarHBondContact OG1-CE 3.31Å; T210-M212 WeakPolarHBondContact OG1-CG 3.38Å; M212-Y278 HydrophobicContact CE-CD1 3.09Å; M212-Y278 HydrophobicContact CE-CD2 4.18Å; M212-Y278 HydrophobicContact CE-CE1 3.36Å; M212-Y278 HydrophobicContact CE-CE2 4.38Å; M212-Y278 HydrophobicContact CE-CG 3.53Å; M212-I280 HydrophobicContact CE-CD1 3.53Å; M212-I280 HydrophobicContact CE-CG1 3.74Å; M212-I280 HydrophobicContact SD-CD1 3.58Å; M212-I280 VanDerWaalsContact SD-CD1 3.58Å; M212-I280 HydrophobicContact SD-CG1 4.28Å
213	C	78.5	Confident	87.1	Confident	36 Å²	36	23.2 Å²	23.2	24%	0.243	13%	0.132	C	C	.	.	S	Bend	trans	-152.2	169.4	179.9	61.2	0	0	0	0	111.5	C217	C213-C217 HydrophobicContact CB-CB 3.62Å; C213-C217 WeakPolarHBondContact CB-SG 3.48Å; C213-C217 WeakPolarHBondContact SG-CB 3.35Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 2.97Å
214	G	79.9	Confident	86.8	Confident	46 Å²	46	19.5 Å²	19.5	47%	0.474	12%	0.116	S	C	.	.			trans	-65.5	163.9	176.9	0	0	0	0	0	113.3	G216 C217 L218	G214-G216 VanDerWaalsContact C-N 3.28Å; G214-G216 PolarHBondContact O-N 2.93Å; G214-G216 VanDerWaalsContact O-N 3.08Å; G214-C217 WeakPolarHBondContact O-CB 3.18Å; G214-C217 PolarHBondContact O-N 3.38Å; G214-L218 PolarHBondContact O-N 2.85Å
215	F	86.6	Confident	86.6	Confident	24 Å²	24	19.5 Å²	19.5	11%	0.105	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-37	-169.5	90.4	-92.5	0	0	0	114.7	C217 L218 M219 F247 M460 A463 I464 V467 I484 L487	F215-C217 VanDerWaalsContact C-N 3.28Å; F215-C217 PolarHBondContact O-N 3.37Å; F215-L218 PolarHBondContact O-N 3.35Å; F215-M219 HydrophobicContact CD2-CG 4.2Å; F215-M219 WeakPolarHBondContact O-CB 3.26Å; F215-M219 PolarHBondContact O-N 3.26Å; F215-F247 HydrophobicContact CB-CD2 4.23Å; F215-F247 HydrophobicContact CB-CG 4.49Å; F215-M460 HydrophobicContact CB-CE 3.89Å; F215-M460 HydrophobicContact CB-SD 3.43Å; F215-M460 WeakPolarHBondContact CB-SD 3.23Å; F215-M460 HydrophobicContact CD1-SD 4.3Å; F215-M460 HydrophobicContact CG-SD 3.87Å; F215-A463 HydrophobicContact CD1-CB 4.12Å; F215-A463 HydrophobicContact CE1-CB 3.42Å; F215-A463 VanDerWaalsContact CE1-CB 3.42Å; F215-A463 HydrophobicContact CZ-CB 3.97Å; F215-I464 HydrophobicContact CD2-CG1 4.08Å; F215-I464 HydrophobicContact CE2-CG1 3.87Å; F215-I464 HydrophobicContact CZ-CG1 4.32Å; F215-V467 HydrophobicContact CE2-CG2 4.14Å; F215-V467 HydrophobicContact CZ-CG2 3.71Å; F215-I484 HydrophobicContact CD1-CD1 3.9Å; F215-I484 HydrophobicContact CE1-CD1 3.06Å; F215-I484 HydrophobicContact CE1-CG1 4.45Å; F215-I484 HydrophobicContact CE2-CD1 4.06Å; F215-I484 HydrophobicContact CZ-CD1 3.18Å; F215-L487 HydrophobicContact CE2-CD2 4.1Å
216	G	88.4	Confident	86.5	Confident	2 Å²	2	19.5 Å²	19.5	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-41.4	179.1	0	0	0	0	0	111.5	G214 M219 H220	G214-G216 VanDerWaalsContact C-N 3.28Å; G214-G216 PolarHBondContact O-N 2.93Å; G214-G216 VanDerWaalsContact O-N 3.08Å; G216-M219 PolarHBondContact O-N 3.1Å; G216-H220 PolarHBondContact O-N 3.24Å; G216-H220 VanDerWaalsContact O-N 3.12Å; G216-H220 PolarHBondContact O-ND1 3.28Å
217	C	86.4	Confident	86.4	Confident	21 Å²	21	19 Å²	19	14%	0.142	11%	0.113	C	C	.	.	H	α-helix	trans	-68.3	-41.1	175.4	158.9	0	0	0	0	111.7	C213 G214 F215 M219 H220 Q221	C213-C217 HydrophobicContact CB-CB 3.62Å; C213-C217 WeakPolarHBondContact CB-SG 3.48Å; C213-C217 WeakPolarHBondContact SG-CB 3.35Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 2.97Å; G214-C217 WeakPolarHBondContact O-CB 3.18Å; G214-C217 PolarHBondContact O-N 3.38Å; F215-C217 VanDerWaalsContact C-N 3.28Å; F215-C217 PolarHBondContact O-N 3.37Å; C217-M219 VanDerWaalsContact C-N 3.34Å; C217-M219 PolarHBondContact O-N 3.44Å; C217-H220 PolarHBondContact O-N 3.1Å; C217-Q221 PolarHBondContact O-N 3.26Å
218	L	88	Confident	86.4	Confident	9 Å²	9	20.3 Å²	20.3	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-40.6	174.6	-66.4	174.9	0	0	0	112.3	T210 G214 F215 Q221 I222 F247	T210-L218 WeakPolarHBondContact O-CD2 3.45Å; G214-L218 PolarHBondContact O-N 2.85Å; F215-L218 PolarHBondContact O-N 3.35Å; L218-Q221 PolarHBondContact O-N 3.43Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.28Å; L218-F247 HydrophobicContact CB-CD1 3.8Å; L218-F247 HydrophobicContact CB-CE1 3.95Å; L218-F247 HydrophobicContact CD1-CB 4.18Å; L218-F247 HydrophobicContact CD1-CD1 3.85Å; L218-F247 HydrophobicContact CD1-CG 4.33Å; L218-F247 HydrophobicContact CG-CD1 4.48Å
219	M	91.5	Very high	86.7	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-49	174.4	-85.5	-61.5	-49.9	0	0	111.6	F215 G216 C217 Q221 I222 M223 F247 I320 L321 L487	F215-M219 HydrophobicContact CD2-CG 4.2Å; F215-M219 WeakPolarHBondContact O-CB 3.26Å; F215-M219 PolarHBondContact O-N 3.26Å; G216-M219 PolarHBondContact O-N 3.1Å; C217-M219 VanDerWaalsContact C-N 3.34Å; C217-M219 PolarHBondContact O-N 3.44Å; M219-Q221 VanDerWaalsContact C-N 3.29Å; M219-Q221 PolarHBondContact O-N 2.96Å; M219-I222 PolarHBondContact O-N 3.47Å; M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.49Å; M219-M223 PolarHBondContact O-N 3.42Å; M219-F247 HydrophobicContact CG-CE1 4.4Å; M219-F247 HydrophobicContact CG-CE2 4.36Å; M219-F247 HydrophobicContact CG-CZ 3.75Å; M219-F247 HydrophobicContact SD-CE1 4.27Å; M219-F247 HydrophobicContact SD-CE2 4.22Å; M219-F247 HydrophobicContact SD-CZ 3.42Å; M219-F247 WeakPolarHBondContact SD-CZ 3.42Å; M219-I320 HydrophobicContact CE-CB 4.16Å; M219-I320 HydrophobicContact CE-CD1 4.38Å; M219-I320 HydrophobicContact CE-CG2 3.76Å; M219-I320 HydrophobicContact SD-CG2 4.06Å; M219-L321 HydrophobicContact CE-CD1 3.82Å; M219-L321 HydrophobicContact CE-CD2 3.97Å; M219-L321 HydrophobicContact CE-CG 3.67Å; M219-L321 HydrophobicContact SD-CD2 3.84Å; M219-L321 HydrophobicContact SD-CG 4.24Å; M219-L487 HydrophobicContact CB-CD2 3.98Å; M219-L487 HydrophobicContact CE-CD1 4.4Å; M219-L487 HydrophobicContact CG-CD2 3.94Å
220	H	90.5	Very high	87	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-36.1	176.4	-76.3	117.9	0	0	0	112.7	G216 C217 M223 F224 W288 N483 E490	G216-H220 PolarHBondContact O-N 3.24Å; G216-H220 VanDerWaalsContact O-N 3.12Å; G216-H220 PolarHBondContact O-ND1 3.28Å; C217-H220 PolarHBondContact O-N 3.1Å; H220-M223 WeakPolarHBondContact O-CB 3.39Å; H220-M223 PolarHBondContact O-N 2.8Å; H220-F224 WeakPolarHBondContact O-CB 3.23Å; H220-F224 PolarHBondContact O-N 2.68Å; H220-W288 HydrophobicContact CB-CB 3.96Å; H220-W288 HydrophobicContact CB-CD2 3.57Å; H220-W288 HydrophobicContact CB-CE3 3.73Å; H220-W288 HydrophobicContact CB-CG 3.69Å; H220-W288 HydrophobicContact CB-CZ3 4.47Å; H220-N483 PolarHBondContact CE1-O 3.44Å; H220-N483 PolarHBondContact ND1-OD1 3.22Å; H220-E490 IonicContact CD2-OE1 3.09Å; H220-E490 IonicContact CD2-OE2 2.79Å; H220-E490 IonicContact CE1-OE1 3.37Å; H220-E490 IonicContact CE1-OE2 3.89Å; H220-E490 VanDerWaalsContact NE2-CD 3.25Å; H220-E490 IonicContact NE2-OE1 2.6Å; H220-E490 PolarHBondContact NE2-OE1 3.21Å; H220-E490 IonicContact NE2-OE2 3.06Å; H220-E490 PolarHBondContact NE2-OE2 2.89Å
221	Q	88.4	Confident	87.7	Confident	8 Å²	8	20.3 Å²	20.3	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-65.9	-42.6	173.4	-178.2	66.9	50.2	0	0	112.2	F207 C217 L218 M219 M223 F224 C225 P277 W288	F207-Q221 HydrophobicContact CD2-CG 4.31Å; F207-Q221 HydrophobicContact CE1-CG 3.96Å; F207-Q221 HydrophobicContact CE2-CG 3.41Å; F207-Q221 VanDerWaalsContact CE2-CG 3.41Å; F207-Q221 HydrophobicContact CZ-CB 4.17Å; F207-Q221 HydrophobicContact CZ-CG 3.21Å; C217-Q221 PolarHBondContact O-N 3.26Å; L218-Q221 PolarHBondContact O-N 3.43Å; M219-Q221 VanDerWaalsContact C-N 3.29Å; M219-Q221 PolarHBondContact O-N 2.96Å; Q221-M223 VanDerWaalsContact C-N 3.32Å; Q221-M223 PolarHBondContact O-N 3.14Å; Q221-F224 PolarHBondContact O-N 3.22Å; Q221-C225 PolarHBondContact NE2-SG 3.17Å; Q221-C225 VanDerWaalsContact NE2-SG 3.39Å; Q221-C225 PolarHBondContact O-N 3.27Å; Q221-C225 PolarHBondContact O-SG 3.45Å; Q221-P277 PolarHBondContact NE2-O 2.9Å; Q221-W288 HydrophobicContact CB-CH2 4.01Å; Q221-W288 HydrophobicContact CB-CZ3 3.85Å; Q221-W288 VanDerWaalsContact OE1-CH2 3.3Å
222	I	92.6	Very high	88.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-40.1	174.9	-62.9	172.2	0	0	0	110.4	F207 I209 L218 M219 C225 L226 L236 V238 F247 L251 L258 I320	F207-I222 HydrophobicContact CD1-CG1 4.08Å; F207-I222 HydrophobicContact CE1-CG1 3.86Å; I209-I222 HydrophobicContact CD1-CD1 3.92Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.28Å; M219-I222 PolarHBondContact O-N 3.47Å; I222-C225 PolarHBondContact O-N 3.12Å; I222-L226 WeakPolarHBondContact O-CB 3.44Å; I222-L226 PolarHBondContact O-N 3.28Å; I222-L236 HydrophobicContact CG2-CD2 4.23Å; I222-V238 HydrophobicContact CG2-CG2 4.35Å; I222-F247 HydrophobicContact CD1-CE1 3.71Å; I222-F247 HydrophobicContact CD1-CZ 4.38Å; I222-L251 HydrophobicContact CD1-CD2 4.28Å; I222-L258 HydrophobicContact CG2-CD1 4.47Å; I222-I320 HydrophobicContact CB-CD1 4.22Å; I222-I320 HydrophobicContact CG2-CD1 3.62Å; I222-I320 HydrophobicContact CG2-CG1 4.03Å; I222-I320 HydrophobicContact CG2-CG2 4.3Å
223	M	93.6	Very high	89.9	Confident	3 Å²	3	22 Å²	22	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-45.6	174.9	-69.6	163.5	55.9	0	0	111.6	M219 H220 Q221 L226 Q227 A313 L316 A317 I320 L487 E490	M219-M223 VanDerWaalsContact O-CG 3.27Å; M219-M223 WeakPolarHBondContact O-CG 3.49Å; M219-M223 PolarHBondContact O-N 3.42Å; H220-M223 WeakPolarHBondContact O-CB 3.39Å; H220-M223 PolarHBondContact O-N 2.8Å; Q221-M223 VanDerWaalsContact C-N 3.32Å; Q221-M223 PolarHBondContact O-N 3.14Å; M223-L226 PolarHBondContact O-N 2.88Å; M223-Q227 WeakPolarHBondContact O-CB 3.4Å; M223-Q227 PolarHBondContact O-N 2.99Å; M223-A313 HydrophobicContact CE-CB 3.78Å; M223-A313 VanDerWaalsContact CE-O 3.28Å; M223-A313 WeakPolarHBondContact CE-O 3.48Å; M223-L316 HydrophobicContact CB-CB 4.33Å; M223-L316 HydrophobicContact CG-CB 4.22Å; M223-A317 HydrophobicContact CE-CB 4.13Å; M223-A317 HydrophobicContact CG-CB 4.49Å; M223-A317 HydrophobicContact SD-CB 3.8Å; M223-I320 HydrophobicContact CB-CD1 4.32Å; M223-I320 HydrophobicContact CG-CD1 3.55Å; M223-L487 HydrophobicContact SD-CD1 4.1Å; M223-E490 WeakPolarHBondContact CE-OE2 3.25Å
224	F	90.8	Very high	90.8	Very high	35 Å²	35	22 Å²	22	15%	0.154	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-44.9	174.4	170.6	-98.6	0	0	0	112	H220 Q221 L226 Q227 L228 P277 W288	H220-F224 WeakPolarHBondContact O-CB 3.23Å; H220-F224 PolarHBondContact O-N 2.68Å; Q221-F224 PolarHBondContact O-N 3.22Å; F224-L226 VanDerWaalsContact C-N 3.32Å; F224-L226 PolarHBondContact O-N 3.28Å; F224-Q227 WeakPolarHBondContact O-CB 3.45Å; F224-Q227 PolarHBondContact O-N 2.99Å; F224-L228 PolarHBondContact O-N 3.32Å; F224-P277 HydrophobicContact CE1-CG 3.9Å; F224-P277 HydrophobicContact CZ-CG 4.22Å; F224-W288 HydrophobicContact CB-CE3 4.48Å
225	C	92.7	Very high	91.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-35.3	176.5	-60.2	0	0	0	0	112.6	F207 Q221 I222 L228 A229 L236 C276	F207-C225 HydrophobicContact CB-CB 4.3Å; F207-C225 VanDerWaalsContact CD2-SG 3.6Å; F207-C225 VanDerWaalsContact CG-SG 3.59Å; Q221-C225 PolarHBondContact NE2-SG 3.17Å; Q221-C225 VanDerWaalsContact NE2-SG 3.39Å; Q221-C225 PolarHBondContact O-N 3.27Å; Q221-C225 PolarHBondContact O-SG 3.45Å; I222-C225 PolarHBondContact O-N 3.12Å; C225-L228 PolarHBondContact O-N 2.84Å; C225-A229 WeakPolarHBondContact O-CB 3.5Å; C225-A229 PolarHBondContact O-N 3.17Å; C225-L236 HydrophobicContact CB-CD1 3.72Å; C225-L236 HydrophobicContact CB-CD2 4.27Å; C225-C276 WeakPolarHBondContact CA-SG 3.48Å; C225-C276 HydrophobicContact CB-CB 3.77Å; C225-C276 WeakPolarHBondContact CB-SG 3.2Å; C225-C276 WeakPolarHBondContact SG-CB 3.3Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.13Å
226	L	95.2	Very high	92.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-68.1	-40.2	176.9	-179.2	59.3	0	0	0	110.6	I190 Q194 I222 M223 F224 A229 F230 L236 L316 Y319 I320	I190-L226 HydrophobicContact CG2-CD1 4.23Å; I190-L226 HydrophobicContact CG2-CD2 4.45Å; Q194-L226 HydrophobicContact CG-CD1 4.42Å; I222-L226 WeakPolarHBondContact O-CB 3.44Å; I222-L226 PolarHBondContact O-N 3.28Å; M223-L226 PolarHBondContact O-N 2.88Å; F224-L226 VanDerWaalsContact C-N 3.32Å; F224-L226 PolarHBondContact O-N 3.28Å; L226-A229 PolarHBondContact O-N 3.35Å; L226-F230 WeakPolarHBondContact O-CB 3.42Å; L226-F230 PolarHBondContact O-N 3.01Å; L226-L236 HydrophobicContact CB-CD2 3.77Å; L226-L236 HydrophobicContact CD1-CB 4.21Å; L226-L236 HydrophobicContact CD1-CD2 4.14Å; L226-L316 HydrophobicContact CD2-CB 4.32Å; L226-L316 HydrophobicContact CD2-CD2 3.97Å; L226-L316 HydrophobicContact CG-CD2 4.09Å; L226-Y319 HydrophobicContact CD2-CD1 3.99Å; L226-I320 HydrophobicContact CD2-CD1 4.14Å; L226-I320 HydrophobicContact CD2-CG1 3.96Å
227	Q	92.4	Very high	92.5	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-53.6	169.7	169.8	170.5	0.7	0	0	111	M223 F224 A229 F230 E231 H291 F312 L316	M223-Q227 WeakPolarHBondContact O-CB 3.4Å; M223-Q227 PolarHBondContact O-N 2.99Å; F224-Q227 WeakPolarHBondContact O-CB 3.45Å; F224-Q227 PolarHBondContact O-N 2.99Å; Q227-A229 PolarHBondContact O-N 3.45Å; Q227-A229 VanDerWaalsContact O-N 3.15Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 WeakPolarHBondContact O-CA 3.24Å; Q227-F230 VanDerWaalsContact O-CB 3.28Å; Q227-F230 WeakPolarHBondContact O-CB 3.25Å; Q227-F230 PolarHBondContact O-N 3.46Å; Q227-E231 VanDerWaalsContact CD-OE1 3.24Å; Q227-E231 HydrophobicContact CG-CG 4.04Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.43Å; Q227-E231 PolarHBondContact NE2-OE1 3.49Å; Q227-E231 VanDerWaalsContact O-CA 3.23Å; Q227-E231 WeakPolarHBondContact O-CA 2.85Å; Q227-E231 WeakPolarHBondContact O-CB 3.27Å; Q227-E231 VanDerWaalsContact O-CG 3.24Å; Q227-E231 WeakPolarHBondContact O-CG 3.49Å; Q227-E231 PolarHBondContact O-N 2.94Å; Q227-H291 VanDerWaalsContact NE2-N 3.12Å; Q227-H291 PolarHBondContact NE2-ND1 2.6Å; Q227-H291 VanDerWaalsContact NE2-ND1 3.11Å; Q227-F312 HydrophobicContact CG-CE1 4.41Å; Q227-L316 HydrophobicContact CB-CD1 3.89Å
228	L	91	Very high	92.7	Very high	29 Å²	29	19.2 Å²	19.2	15%	0.152	9%	0.093	C	C	.	.	H	α-helix	trans	-56.7	-32.9	178.1	-179.4	65.5	0	0	0	112.8	V205 F224 C225 E231 N232 I274 C276	V205-L228 HydrophobicContact CG1-CD2 4.34Å; V205-L228 HydrophobicContact CG2-CG 4.41Å; F224-L228 PolarHBondContact O-N 3.32Å; C225-L228 PolarHBondContact O-N 2.84Å; L228-E231 VanDerWaalsContact O-CA 3.3Å; L228-E231 WeakPolarHBondContact O-CA 3.44Å; L228-N232 PolarHBondContact O-N 2.75Å; L228-N232 PolarHBondContact O-ND2 2.82Å; L228-I274 HydrophobicContact CD2-CG2 4.2Å; L228-C276 HydrophobicContact CD2-CB 4.46Å
229	A	94.3	Very high	92.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.6	-48.2	172.2	0	0	0	0	0	111.2	Q193 V205 C225 L226 Q227 N232 E233 R234 L236	Q193-A229 PolarHBondContact NE2-O 3.44Å; V205-A229 HydrophobicContact CB-CB 3.87Å; V205-A229 HydrophobicContact CG2-CB 3.91Å; C225-A229 WeakPolarHBondContact O-CB 3.5Å; C225-A229 PolarHBondContact O-N 3.17Å; L226-A229 PolarHBondContact O-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.45Å; Q227-A229 VanDerWaalsContact O-N 3.15Å; A229-N232 PolarHBondContact O-N 3.46Å; A229-E233 PolarHBondContact O-N 2.83Å; A229-R234 CarbonylContact C-O 3.54Å; A229-R234 WeakPolarHBondContact CB-O 3.48Å; A229-R234 PolarHBondContact O-N 2.92Å; A229-L236 HydrophobicContact CB-CB 3.83Å
230	F	93	Very high	92.1	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-51.4	-68.4	174	-158.7	-112.7	0	0	0	110.4	L186 K189 I190 Q193 L226 Q227 N232 E233 P294 F312 W590	L186-F230 HydrophobicContact CD1-CE1 4.03Å; L186-F230 HydrophobicContact CD1-CZ 3.85Å; K189-F230 HydrophobicContact CB-CE2 3.97Å; K189-F230 HydrophobicContact CB-CZ 3.96Å; K189-F230 HydrophobicContact CD-CZ 4.21Å; I190-F230 HydrophobicContact CG1-CD2 3.98Å; I190-F230 HydrophobicContact CG1-CE2 3.84Å; I190-F230 HydrophobicContact CG1-CZ 4.47Å; Q193-F230 PolarHBondContact NE2-O 3.35Å; L226-F230 WeakPolarHBondContact O-CB 3.42Å; L226-F230 PolarHBondContact O-N 3.01Å; Q227-F230 CarbonylContact O-C 3.59Å; Q227-F230 WeakPolarHBondContact O-CA 3.24Å; Q227-F230 VanDerWaalsContact O-CB 3.28Å; Q227-F230 WeakPolarHBondContact O-CB 3.25Å; Q227-F230 PolarHBondContact O-N 3.46Å; F230-N232 PolarHBondContact O-N 2.95Å; F230-E233 PolarHBondContact O-N 3.31Å; F230-P294 HydrophobicContact CE1-CB 4.5Å; F230-P294 HydrophobicContact CE1-CG 3.93Å; F230-F312 HydrophobicContact CD1-CZ 4.29Å; F230-W590 VanDerWaalsContact C-CZ2 3.42Å; F230-W590 HydrophobicContact CD1-CH2 4.15Å; F230-W590 HydrophobicContact CD1-CZ3 4.06Å; F230-W590 HydrophobicContact CE1-CH2 4.48Å; F230-W590 AromaticContact CE1-CZ3 4Å; F230-W590 HydrophobicContact CE1-CZ3 4Å; F230-W590 WeakPolarHBondContact O-CH2 3.17Å; F230-W590 VanDerWaalsContact O-CZ2 3.28Å; F230-W590 WeakPolarHBondContact O-CZ2 3.3Å
231	E	90	Very high	90.8	Very high	29 Å²	29	27.3 Å²	27.3	14%	0.136	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn		31.1	-64.9	125.3	2.7	165.7	-152.4	0	0	123.2	Q227 L228 H291 V292 W590	Q227-E231 VanDerWaalsContact CD-OE1 3.24Å; Q227-E231 HydrophobicContact CG-CG 4.04Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.43Å; Q227-E231 PolarHBondContact NE2-OE1 3.49Å; Q227-E231 VanDerWaalsContact O-CA 3.23Å; Q227-E231 WeakPolarHBondContact O-CA 2.85Å; Q227-E231 WeakPolarHBondContact O-CB 3.27Å; Q227-E231 VanDerWaalsContact O-CG 3.24Å; Q227-E231 WeakPolarHBondContact O-CG 3.49Å; Q227-E231 PolarHBondContact O-N 2.94Å; L228-E231 VanDerWaalsContact O-CA 3.3Å; L228-E231 WeakPolarHBondContact O-CA 3.44Å; E231-H291 IonicContact OE1-CE1 3.73Å; E231-H291 PolarHBondContact OE1-CE1 3.3Å; E231-H291 IonicContact OE1-ND1 3.01Å; E231-H291 IonicContact OE1-NE2 2.96Å; E231-H291 IonicContact OE2-CE1 2.79Å; E231-H291 PolarHBondContact OE2-CE1 3.22Å; E231-H291 IonicContact OE2-NE2 3.82Å; E231-H291 PolarHBondContact OE2-NE2 3.47Å; E231-V292 HydrophobicContact CG-CG2 4.11Å; E231-V292 WeakPolarHBondContact OE1-CG2 3.24Å; E231-V292 WeakPolarHBondContact OE2-CG2 3.33Å; E231-W590 HydrophobicContact CB-CZ2 3.55Å; E231-W590 HydrophobicContact CG-CD2 4.42Å; E231-W590 VanDerWaalsContact CG-CE2 3.49Å; E231-W590 HydrophobicContact CG-CZ2 3.82Å; E231-W590 WeakPolarHBondContact O-CZ2 3.41Å
232	N	91.5	Very high	89.4	Confident	72 Å²	72	36.2 Å²	36.2	39%	0.385	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	21.3	-166.9	-73.7	-92.7	0	0	0	110.3	L228 A229 F230 R234 I274	L228-N232 PolarHBondContact O-N 2.75Å; L228-N232 PolarHBondContact O-ND2 2.82Å; A229-N232 PolarHBondContact O-N 3.46Å; F230-N232 PolarHBondContact O-N 2.95Å; N232-R234 HydrophobicContact CB-CG 4.24Å; N232-R234 WeakPolarHBondContact O-CG 3.3Å; N232-R234 PolarHBondContact O-N 3.3Å; N232-I274 HydrophobicContact CB-CD1 4.3Å
233	E	93.5	Very high	87.9	Confident	136 Å²	136	37.5 Å²	37.5	64%	0.636	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	42	-175.4	-57.8	-176.7	152.3	0	0	112.2	A229 F230	A229-E233 PolarHBondContact O-N 2.83Å; F230-E233 PolarHBondContact O-N 3.31Å
234	R	96.3	Very high	86.7	Confident	34 Å²	34	48.6 Å²	48.6	13%	0.128	21%	0.212	C	C	.	.			trans	-116.5	150.4	-174.1	-78.5	163.9	-173.5	-92.1	4.7	112.5	Q193 K203 Y204 V205 A229 N232 D272 I274	Q193-R234 VanDerWaalsContact NE2-N 3.14Å; Q193-R234 PolarHBondContact NE2-O 2.88Å; K203-R234 HydrophobicContact CB-CG 3.63Å; K203-R234 CarbonylContact O-C 3.57Å; K203-R234 VanDerWaalsContact O-CA 3.3Å; K203-R234 WeakPolarHBondContact O-CA 3.4Å; K203-R234 WeakPolarHBondContact O-CB 3.45Å; Y204-R234 PolarHBondContact O-NH1 2.89Å; V205-R234 HydrophobicContact CG2-CB 3.94Å; A229-R234 CarbonylContact C-O 3.54Å; A229-R234 WeakPolarHBondContact CB-O 3.48Å; A229-R234 PolarHBondContact O-N 2.92Å; N232-R234 HydrophobicContact CB-CG 4.24Å; N232-R234 WeakPolarHBondContact O-CG 3.3Å; N232-R234 PolarHBondContact O-N 3.3Å; R234-D272 PolarHBondContact NH1-O 3.31Å; R234-D272 PolarHBondContact NH2-O 3.21Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å
235	V	97.5	Very high	86.2	Confident	3 Å²	3	47 Å²	47	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.2	169.7	-178.6	0	0	0	0	108.8	Q193 P196 A202 K203 Y204 V205 V237 C262	Q193-V235 WeakPolarHBondContact O-CG2 3.5Å; P196-V235 HydrophobicContact CG-CG2 3.75Å; A202-V235 HydrophobicContact CB-CG2 4.2Å; K203-V235 PolarHBondContact O-N 2.89Å; Y204-V235 CarbonylContact C-O 3.59Å; Y204-V235 WeakPolarHBondContact CA-O 3.25Å; Y204-V235 HydrophobicContact CD1-CB 3.69Å; Y204-V235 HydrophobicContact CD1-CG1 4.13Å; Y204-V235 HydrophobicContact CE1-CB 3.73Å; Y204-V235 HydrophobicContact CE1-CG1 3.96Å; Y204-V235 HydrophobicContact CE1-CG2 4.28Å; V205-V235 PolarHBondContact N-O 2.88Å; V235-V237 HydrophobicContact CG1-CG2 4.26Å; V235-C262 HydrophobicContact CG1-CB 4.26Å
236	L	97.2	Very high	85.8	Confident	2 Å²	2	49 Å²	49	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.2	173.1	173.8	64.5	0	0	0	108.5	Q194 V205 F207 I222 C225 L226 A229 V238 L258	Q194-L236 VanDerWaalsContact NE2-N 3.13Å; Q194-L236 PolarHBondContact OE1-O 3.1Å; V205-L236 HydrophobicContact CB-CD1 4.4Å; V205-L236 HydrophobicContact CG1-CD1 4Å; V205-L236 WeakPolarHBondContact O-CA 3.36Å; F207-L236 HydrophobicContact CB-CD1 4.39Å; I222-L236 HydrophobicContact CG2-CD2 4.23Å; C225-L236 HydrophobicContact CB-CD1 3.72Å; C225-L236 HydrophobicContact CB-CD2 4.27Å; L226-L236 HydrophobicContact CB-CD2 3.77Å; L226-L236 HydrophobicContact CD1-CB 4.21Å; L226-L236 HydrophobicContact CD1-CD2 4.14Å; A229-L236 HydrophobicContact CB-CB 3.83Å; L236-V238 HydrophobicContact CD2-CG2 4.15Å; L236-V238 HydrophobicContact CG-CG2 4.17Å; L236-L258 HydrophobicContact CD2-CD1 3.9Å; L236-L258 HydrophobicContact CG-CD1 4.33Å
237	V	95.4	Very high	85.5	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.8	173.2	173.3	0	0	0	0	109.4	Y204 V205 T206 F207 V235 K239 H264 T267	Y204-V237 HydrophobicContact CD1-CG2 3.53Å; Y204-V237 HydrophobicContact CE1-CG2 3.82Å; V205-V237 PolarHBondContact O-N 2.73Å; T206-V237 WeakPolarHBondContact CA-O 3.37Å; F207-V237 PolarHBondContact N-O 2.98Å; V235-V237 HydrophobicContact CG1-CG2 4.26Å; V237-K239 HydrophobicContact CG1-CG 4.18Å; V237-H264 HydrophobicContact CG1-CB 4.11Å; V237-T267 HydrophobicContact CB-CG2 3.87Å; V237-T267 HydrophobicContact CG1-CG2 3.86Å; V237-T267 HydrophobicContact CG2-CG2 3.8Å
238	V	92.4	Very high	85.3	Confident	23 Å²	23	51.2 Å²	51.2	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125	175.2	-179.6	0	0	0	0	108.4	F207 I209 I222 L236 L258	F207-V238 HydrophobicContact CD1-CG1 4.38Å; F207-V238 CarbonylContact O-C 3.56Å; F207-V238 WeakPolarHBondContact O-CA 3.35Å; I209-V238 HydrophobicContact CD1-CG1 3.34Å; I209-V238 HydrophobicContact CG1-CG1 3.47Å; I209-V238 VanDerWaalsContact CG1-CG1 3.47Å; I222-V238 HydrophobicContact CG2-CG2 4.35Å; L236-V238 HydrophobicContact CD2-CG2 4.15Å; L236-V238 HydrophobicContact CG-CG2 4.17Å; V238-L258 HydrophobicContact CB-CD1 4.43Å; V238-L258 HydrophobicContact CG2-CD1 3.53Å
239	K	86.9	Confident	85.2	Confident	25 Å²	25	54 Å²	54	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	161.3	-175.6	-69.1	159.1	165.1	-163.8	0	109.8	T206 F207 I209 V237 Y241 H264 T267	T206-K239 HydrophobicContact CG2-CD 4.35Å; F207-K239 PolarHBondContact O-N 3.22Å; I209-K239 PolarHBondContact N-O 3.43Å; V237-K239 HydrophobicContact CG1-CG 4.18Å; K239-Y241 HydrophobicContact CB-CD2 3.79Å; K239-Y241 HydrophobicContact CB-CE2 3.77Å; K239-Y241 HydrophobicContact CD-CD2 4.14Å; K239-Y241 HydrophobicContact CD-CE2 3.54Å; K239-Y241 HydrophobicContact CG-CD2 4.15Å; K239-Y241 HydrophobicContact CG-CE2 3.6Å; K239-H264 HydrophobicContact CG-CB 4.09Å; K239-T267 WeakPolarHBondContact CE-OG1 3.46Å; K239-T267 PolarHBondContact NZ-OG1 3.2Å
240	N	78.3	Confident	85.1	Confident	39 Å²	39	54 Å²	54	21%	0.209	24%	0.238	C	C	.	.			trans	-146.3	54.4	174.6	-164.3	22.7	0	0	0	110.1	I209 R242 S243 D245 H248	I209-N240 PolarHBondContact O-OD1 3.18Å; N240-R242 VanDerWaalsContact C-N 3.34Å; N240-S243 PolarHBondContact ND2-O 3.32Å; N240-S243 PolarHBondContact OD1-O 2.89Å; N240-D245 PolarHBondContact ND2-N 2.77Å; N240-D245 WeakPolarHBondContact OD1-CB 3.41Å; N240-H248 HydrophobicContact CB-CB 4.23Å; N240-H248 WeakPolarHBondContact ND2-CB 3.24Å; N240-H248 PolarHBondContact ND2-ND1 2.94Å
241	Y	63.5	Low	85.1	Confident	117 Å²	117	54.2 Å²	54.2	46%	0.459	24%	0.239	S	C	.	.	S	Bend	trans	-74.1	-30.8	-174.6	-70.9	-71.2	0	0	0	112.1	D208 K239 H264 N268	D208-Y241 PolarHBondContact OD1-N 3.12Å; D208-Y241 VanDerWaalsContact OD1-N 3.11Å; K239-Y241 HydrophobicContact CB-CD2 3.79Å; K239-Y241 HydrophobicContact CB-CE2 3.77Å; K239-Y241 HydrophobicContact CD-CD2 4.14Å; K239-Y241 HydrophobicContact CD-CE2 3.54Å; K239-Y241 HydrophobicContact CG-CD2 4.15Å; K239-Y241 HydrophobicContact CG-CE2 3.6Å; Y241-H264 AromaticContact CZ-CD2 3.94Å; Y241-H264 PolarHBondContact OH-CD2 2.95Å; Y241-N268 PolarHBondContact OH-OD1 3.41Å
242	R	59.7	Low	85.1	Confident	194 Å²	194	59.2 Å²	59.2	73%	0.732	26%	0.262	S	S	*	.	S	Bend	trans	-98.3	-14.9	-166.5	-65.4	-178.4	178.6	171.2	3.6	114.2	D208 N240	D208-R242 VanDerWaalsContact OD2-CD 3.3Å; D208-R242 WeakPolarHBondContact OD2-CD 3.41Å; D208-R242 WeakPolarHBondContact OD2-CG 3.39Å; D208-R242 IonicContact OD2-NE 3.58Å; N240-R242 VanDerWaalsContact C-N 3.34Å
243	S	60.6	Low	85.2	Confident	28 Å²	28	59.7 Å²	59.7	20%	0.196	26%	0.262	C	S	.	.			trans	-141.9	146	-169.6	-9	0	0	0	0	110.4	I209 N240 D245	I209-S243 PolarHBondContact O-OG 3.21Å; I209-S243 VanDerWaalsContact O-OG 3.14Å; N240-S243 PolarHBondContact ND2-O 3.32Å; N240-S243 PolarHBondContact OD1-O 2.89Å; S243-D245 PolarHBondContact O-N 3.46Å; S243-D245 VanDerWaalsContact O-N 3.07Å
244	R	69.1	Low	85.3	Confident	236 Å²	236	53.8 Å²	53.8	89%	0.891	24%	0.235	S	C	*	.			trans	-82.5	62.5	156	-69.6	-173.4	-169.7	-170.2	3.2	108.1	I246	R244-I246 PolarHBondContact O-N 2.92Å
245	D	79.4	Confident	85.3	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	23%	0.23	C	C	.	.			trans	-61.7	121	179.5	-174.6	-74.1	0	0	0	109.7	I209 N211 N240 S243 F247 H248 E249	I209-D245 HydrophobicContact CG2-CB 3.8Å; I209-D245 WeakPolarHBondContact CG2-OD2 3.17Å; N211-D245 VanDerWaalsContact CG-OD2 3.31Å; N211-D245 PolarHBondContact OD1-OD2 2.93Å; N240-D245 PolarHBondContact ND2-N 2.77Å; N240-D245 WeakPolarHBondContact OD1-CB 3.41Å; S243-D245 PolarHBondContact O-N 3.46Å; S243-D245 VanDerWaalsContact O-N 3.07Å; D245-F247 VanDerWaalsContact C-N 3.26Å; D245-F247 PolarHBondContact O-N 3.11Å; D245-F247 VanDerWaalsContact OD1-CA 3.3Å; D245-F247 WeakPolarHBondContact OD1-CA 3.32Å; D245-F247 VanDerWaalsContact OD1-CB 3.23Å; D245-F247 WeakPolarHBondContact OD1-CB 3.32Å; D245-F247 PolarHBondContact OD1-N 3.09Å; D245-H248 HydrophobicContact CB-CB 4.09Å; D245-H248 PolarHBondContact O-N 3.43Å; D245-H248 PolarHBondContact OD1-N 2.79Å; D245-E249 PolarHBondContact O-N 2.9Å; D245-E249 VanDerWaalsContact O-N 3.09Å
246	I	85.1	Confident	85.3	Confident	43 Å²	43	55.6 Å²	55.6	22%	0.221	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-33.5	-175.3	-66.1	172	0	0	0	110.4	R244 W250 M455	R244-I246 PolarHBondContact O-N 2.92Å; I246-W250 WeakPolarHBondContact O-CB 3.46Å; I246-W250 PolarHBondContact O-N 3.26Å; I246-M455 HydrophobicContact CD1-CB 4.5Å; I246-M455 WeakPolarHBondContact CD1-O 3.47Å
247	F	88.1	Confident	85.2	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-41	179.1	176.7	-118	0	0	0	111.3	F215 L218 M219 I222 D245 W250 L251 M460 I464	F215-F247 HydrophobicContact CB-CD2 4.23Å; F215-F247 HydrophobicContact CB-CG 4.49Å; L218-F247 HydrophobicContact CB-CD1 3.8Å; L218-F247 HydrophobicContact CB-CE1 3.95Å; L218-F247 HydrophobicContact CD1-CB 4.18Å; L218-F247 HydrophobicContact CD1-CD1 3.85Å; L218-F247 HydrophobicContact CD1-CG 4.33Å; L218-F247 HydrophobicContact CG-CD1 4.48Å; M219-F247 HydrophobicContact CG-CE1 4.4Å; M219-F247 HydrophobicContact CG-CE2 4.36Å; M219-F247 HydrophobicContact CG-CZ 3.75Å; M219-F247 HydrophobicContact SD-CE1 4.27Å; M219-F247 HydrophobicContact SD-CE2 4.22Å; M219-F247 HydrophobicContact SD-CZ 3.42Å; M219-F247 WeakPolarHBondContact SD-CZ 3.42Å; I222-F247 HydrophobicContact CD1-CE1 3.71Å; I222-F247 HydrophobicContact CD1-CZ 4.38Å; D245-F247 VanDerWaalsContact C-N 3.26Å; D245-F247 PolarHBondContact O-N 3.11Å; D245-F247 VanDerWaalsContact OD1-CA 3.3Å; D245-F247 WeakPolarHBondContact OD1-CA 3.32Å; D245-F247 VanDerWaalsContact OD1-CB 3.23Å; D245-F247 WeakPolarHBondContact OD1-CB 3.32Å; D245-F247 PolarHBondContact OD1-N 3.09Å; F247-W250 HydrophobicContact CD2-CE3 4.36Å; F247-W250 HydrophobicContact CE2-CE3 4.09Å; F247-W250 WeakPolarHBondContact O-CB 3.31Å; F247-W250 PolarHBondContact O-N 3.13Å; F247-L251 WeakPolarHBondContact O-CB 3.24Å; F247-L251 PolarHBondContact O-N 3.41Å; F247-M460 HydrophobicContact CB-CE 3.7Å; F247-M460 HydrophobicContact CB-SD 4.3Å; F247-M460 HydrophobicContact CD2-CE 4.16Å; F247-M460 HydrophobicContact CD2-CG 4.22Å; F247-M460 HydrophobicContact CD2-SD 3.61Å; F247-M460 HydrophobicContact CE2-SD 4.46Å; F247-M460 HydrophobicContact CG-CE 4.33Å; F247-M460 HydrophobicContact CG-SD 4.33Å; F247-I464 HydrophobicContact CD2-CD1 4.49Å; F247-I464 HydrophobicContact CE2-CD1 4.09Å
248	H	88.8	Confident	85.2	Confident	45 Å²	45	59.2 Å²	59.2	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-46.9	172.5	179.8	-81.8	0	0	0	111.8	I209 N240 D245 W250 L251 H252	I209-H248 HydrophobicContact CB-CB 4.43Å; I209-H248 HydrophobicContact CD1-CB 4.02Å; I209-H248 HydrophobicContact CG2-CB 4.38Å; N240-H248 HydrophobicContact CB-CB 4.23Å; N240-H248 WeakPolarHBondContact ND2-CB 3.24Å; N240-H248 PolarHBondContact ND2-ND1 2.94Å; D245-H248 HydrophobicContact CB-CB 4.09Å; D245-H248 PolarHBondContact O-N 3.43Å; D245-H248 PolarHBondContact OD1-N 2.79Å; H248-W250 VanDerWaalsContact C-N 3.33Å; H248-W250 PolarHBondContact O-N 2.67Å; H248-L251 PolarHBondContact O-N 2.73Å; H248-H252 PolarHBondContact O-N 2.76Å; H248-H252 VanDerWaalsContact O-N 3.07Å
249	E	88.8	Confident	85.4	Confident	89 Å²	89	58.8 Å²	58.8	42%	0.416	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-45	175.7	-177.7	179	170.5	0	0	111.3	D245 L251 H252 Q253	D245-E249 PolarHBondContact O-N 2.9Å; D245-E249 VanDerWaalsContact O-N 3.09Å; E249-L251 PolarHBondContact O-N 3.24Å; E249-H252 PolarHBondContact O-N 2.86Å; E249-Q253 VanDerWaalsContact CG-NE2 3.31Å; E249-Q253 WeakPolarHBondContact O-CB 3.39Å; E249-Q253 WeakPolarHBondContact O-CG 3.38Å; E249-Q253 PolarHBondContact O-N 3.5Å; E249-Q253 PolarHBondContact OE1-NE2 2.85Å
250	W	92.1	Very high	85.8	Confident	0 Å²	0	64 Å²	64	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-45.6	177.1	-177.5	93.7	0	0	0	112.2	I246 F247 H248 Q253 N254 T255 L321 F327 Y457 M460 N461 I464	I246-W250 WeakPolarHBondContact O-CB 3.46Å; I246-W250 PolarHBondContact O-N 3.26Å; F247-W250 HydrophobicContact CD2-CE3 4.36Å; F247-W250 HydrophobicContact CE2-CE3 4.09Å; F247-W250 WeakPolarHBondContact O-CB 3.31Å; F247-W250 PolarHBondContact O-N 3.13Å; H248-W250 VanDerWaalsContact C-N 3.33Å; H248-W250 PolarHBondContact O-N 2.67Å; W250-Q253 PolarHBondContact O-N 3.09Å; W250-N254 HydrophobicContact CD2-CB 4.31Å; W250-N254 HydrophobicContact CH2-CB 4Å; W250-N254 HydrophobicContact CZ2-CB 3.75Å; W250-N254 HydrophobicContact CZ3-CB 4.41Å; W250-N254 PolarHBondContact NE1-ND2 3.01Å; W250-N254 WeakPolarHBondContact O-CB 3.33Å; W250-N254 PolarHBondContact O-N 3.1Å; W250-N254 PolarHBondContact O-ND2 3.25Å; W250-T255 HydrophobicContact CH2-CG2 4.17Å; W250-T255 HydrophobicContact CZ3-CG2 3.86Å; W250-L321 HydrophobicContact CZ3-CD2 4.37Å; W250-F327 HydrophobicContact CH2-CD1 4.11Å; W250-F327 AromaticContact CH2-CE1 3.59Å; W250-F327 HydrophobicContact CH2-CE1 3.59Å; W250-F327 HydrophobicContact CH2-CE2 4.48Å; W250-F327 AromaticContact CH2-CZ 3.84Å; W250-F327 HydrophobicContact CH2-CZ 3.84Å; W250-F327 HydrophobicContact CZ2-CD1 4.1Å; W250-F327 HydrophobicContact CZ2-CD2 4.13Å; W250-F327 AromaticContact CZ2-CE1 3.63Å; W250-F327 HydrophobicContact CZ2-CE1 3.63Å; W250-F327 AromaticContact CZ2-CE2 3.68Å; W250-F327 HydrophobicContact CZ2-CE2 3.68Å; W250-F327 HydrophobicContact CZ2-CG 4.36Å; W250-F327 AromaticContact CZ2-CZ 3.44Å; W250-F327 HydrophobicContact CZ2-CZ 3.44Å; W250-F327 VanDerWaalsContact CZ2-CZ 3.44Å; W250-Y457 HydrophobicContact CB-CD2 4.31Å; W250-Y457 HydrophobicContact CB-CE2 4.1Å; W250-Y457 AromaticContact CD1-CE2 3.91Å; W250-Y457 AromaticContact CD1-CZ 3.95Å; W250-Y457 HydrophobicContact CG-CE2 4.38Å; W250-M460 HydrophobicContact CB-CG 3.94Å; W250-M460 HydrophobicContact CD2-CG 3.95Å; W250-M460 HydrophobicContact CG-CB 4.23Å; W250-M460 HydrophobicContact CG-CG 3.56Å; W250-N461 VanDerWaalsContact NE1-CG 3.31Å; W250-N461 PolarHBondContact NE1-OD1 2.93Å; W250-I464 HydrophobicContact CD2-CD1 3.72Å; W250-I464 HydrophobicContact CE3-CD1 3.45Å; W250-I464 VanDerWaalsContact CE3-CD1 3.45Å; W250-I464 HydrophobicContact CH2-CB 4.2Å; W250-I464 HydrophobicContact CH2-CD1 3.34Å; W250-I464 HydrophobicContact CH2-CG1 4.33Å; W250-I464 HydrophobicContact CH2-CG2 3.75Å; W250-I464 HydrophobicContact CZ2-CB 4.17Å; W250-I464 HydrophobicContact CZ2-CD1 3.55Å; W250-I464 HydrophobicContact CZ2-CG1 4.44Å; W250-I464 HydrophobicContact CZ2-CG2 4.13Å; W250-I464 HydrophobicContact CZ3-CD1 3.27Å
251	L	92.5	Very high	86.5	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-53.3	178.9	-172.2	72.5	0	0	0	109.8	I222 F247 H248 E249 Q253 N254 T255 I320	I222-L251 HydrophobicContact CD1-CD2 4.28Å; F247-L251 WeakPolarHBondContact O-CB 3.24Å; F247-L251 PolarHBondContact O-N 3.41Å; H248-L251 PolarHBondContact O-N 2.73Å; E249-L251 PolarHBondContact O-N 3.24Å; L251-Q253 VanDerWaalsContact C-N 3.26Å; L251-Q253 PolarHBondContact O-N 2.9Å; L251-N254 PolarHBondContact O-N 3.23Å; L251-T255 HydrophobicContact CD1-CG2 3.83Å; L251-T255 VanDerWaalsContact CD1-OG1 3.27Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.3Å; L251-T255 PolarHBondContact O-N 3.4Å; L251-T255 PolarHBondContact O-OG1 3.27Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å
252	H	90.8	Very high	88	Confident	133 Å²	133	62.6 Å²	62.6	62%	0.616	29%	0.288	S	S	*	.	H	α-helix	trans	-57.3	-37.7	178.8	179.3	-95.8	0	0	0	113	H248 E249 K324	H248-H252 PolarHBondContact O-N 2.76Å; H248-H252 VanDerWaalsContact O-N 3.07Å; E249-H252 PolarHBondContact O-N 2.86Å; H252-K324 PolarHBondContact O-NZ 2.8Å
253	Q	93	Very high	89.4	Confident	82 Å²	82	55.3 Å²	55.3	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-79	-37	-178.5	-71.1	179.7	14.1	0	0	113.4	E249 W250 L251 K324 Y457	E249-Q253 VanDerWaalsContact CG-NE2 3.31Å; E249-Q253 WeakPolarHBondContact O-CB 3.39Å; E249-Q253 WeakPolarHBondContact O-CG 3.38Å; E249-Q253 PolarHBondContact O-N 3.5Å; E249-Q253 PolarHBondContact OE1-NE2 2.85Å; W250-Q253 PolarHBondContact O-N 3.09Å; L251-Q253 VanDerWaalsContact C-N 3.26Å; L251-Q253 PolarHBondContact O-N 2.9Å; Q253-K324 WeakPolarHBondContact O-CD 3.41Å; Q253-K324 PolarHBondContact O-NZ 2.85Å; Q253-Y457 PolarHBondContact OE1-OH 2.92Å
254	N	95.8	Very high	90.8	Very high	13 Å²	13	58 Å²	58	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-107.2	-16.2	-168.8	-64.8	-74.3	0	0	0	115.2	W250 L251 K324 F327 Y457	W250-N254 HydrophobicContact CD2-CB 4.31Å; W250-N254 HydrophobicContact CH2-CB 4Å; W250-N254 HydrophobicContact CZ2-CB 3.75Å; W250-N254 HydrophobicContact CZ3-CB 4.41Å; W250-N254 PolarHBondContact NE1-ND2 3.01Å; W250-N254 WeakPolarHBondContact O-CB 3.33Å; W250-N254 PolarHBondContact O-N 3.1Å; W250-N254 PolarHBondContact O-ND2 3.25Å; L251-N254 PolarHBondContact O-N 3.23Å; N254-K324 PolarHBondContact O-N 3.47Å; N254-F327 HydrophobicContact CB-CB 4Å; N254-F327 HydrophobicContact CB-CD1 4.28Å; N254-F327 HydrophobicContact CB-CD2 4.49Å; N254-F327 HydrophobicContact CB-CG 4.01Å; N254-Y457 PolarHBondContact ND2-OH 3.15Å
255	T	96.5	Very high	91.7	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.031	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-117.6	156.8	179.5	71.9	0	0	0	0	112.1	W250 L251 R322 K324	W250-T255 HydrophobicContact CH2-CG2 4.17Å; W250-T255 HydrophobicContact CZ3-CG2 3.86Å; L251-T255 HydrophobicContact CD1-CG2 3.83Å; L251-T255 VanDerWaalsContact CD1-OG1 3.27Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.3Å; L251-T255 PolarHBondContact O-N 3.4Å; L251-T255 PolarHBondContact O-OG1 3.27Å; T255-R322 CarbonylContact C-O 3.58Å; T255-R322 WeakPolarHBondContact CA-O 3.4Å; T255-R322 VanDerWaalsContact CB-O 3.3Å; T255-R322 WeakPolarHBondContact CB-O 3.31Å; T255-K324 WeakPolarHBondContact O-CE 3.29Å
256	L	96.7	Very high	92.3	Very high	69 Å²	69	55.2 Å²	55.2	36%	0.361	27%	0.274	S	S	.	.			trans	-61.2	145.6	167.6	-60.9	-178.5	0	0	0	109.3	R322 K324	L256-R322 HydrophobicContact CB-CB 4.09Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.17Å; L256-R322 PolarHBondContact N-O 2.9Å; L256-K324 HydrophobicContact CD2-CG 4.18Å
257	P	95.2	Very high	92.5	Very high	66 Å²	66	53.2 Å²	53.2	43%	0.429	26%	0.264	S	S	.	.			trans	-65	153.3	-179.8	31.6	-37.4	0	0	0	110.5	S259 E260 R322	P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.44Å; P257-S259 PolarHBondContact O-N 3.07Å; P257-E260 HydrophobicContact CG-CG 4.37Å; P257-R322 PolarHBondContact O-NH2 3.37Å
258	L	95.7	Very high	92.4	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.105	29%	0.287	C	S	.	.	S	Bend	trans	-63.4	-37.1	177.3	-63.9	176.8	0	0	0	111.7	Q194 I222 L236 V238 Y319 I320	Q194-L258 WeakPolarHBondContact CB-O 3.3Å; I222-L258 HydrophobicContact CG2-CD1 4.47Å; L236-L258 HydrophobicContact CD2-CD1 3.9Å; L236-L258 HydrophobicContact CG-CD1 4.33Å; V238-L258 HydrophobicContact CB-CD1 4.43Å; V238-L258 HydrophobicContact CG2-CD1 3.53Å; L258-Y319 HydrophobicContact CD2-CD1 4.24Å; L258-Y319 HydrophobicContact CD2-CE1 4.26Å; L258-Y319 WeakPolarHBondContact O-CE1 3.37Å; L258-Y319 PolarHBondContact O-OH 3.49Å; L258-I320 HydrophobicContact CD2-CB 4.28Å; L258-I320 HydrophobicContact CD2-CG1 3.89Å; L258-I320 HydrophobicContact CD2-CG2 4.41Å
259	S	96.7	Very high	92.1	Very high	14 Å²	14	59.6 Å²	59.6	10%	0.098	32%	0.322	C	S	.	.			trans	-125.4	134.4	170.3	-176.2	0	0	0	0	109.5	Q194 P257 K261 C262	Q194-S259 WeakPolarHBondContact O-CB 3.41Å; Q194-S259 PolarHBondContact O-OG 2.91Å; P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.44Å; P257-S259 PolarHBondContact O-N 3.07Å; S259-K261 PolarHBondContact OG-N 3.24Å; S259-C262 PolarHBondContact OG-N 2.79Å
260	E	94.5	Very high	92.1	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	31%	0.313	S	S	*	.	S	Bend	trans	-82.3	-16.9	173.4	-65	169.6	-157.2	0	0	112.1	Q191 N195 P257	Q191-E260 PolarHBondContact NE2-OE1 2.88Å; Q191-E260 VanDerWaalsContact NE2-OE1 3.17Å; N195-E260 WeakPolarHBondContact OD1-CB 3.3Å; N195-E260 PolarHBondContact OD1-N 2.92Å; P257-E260 HydrophobicContact CG-CG 4.37Å
261	K	93.8	Very high	92	Very high	116 Å²	116	64.4 Å²	64.4	50%	0.504	36%	0.355	S	S	.	.	S	Bend	trans	-111.7	-42.1	-172.3	-63.7	177.9	-177.1	169.6	0	113.8	N195 P196 C199 S259	N195-K261 HydrophobicContact CB-CD 4.22Å; N195-K261 PolarHBondContact O-NZ 3.3Å; P196-K261 WeakPolarHBondContact O-CD 3.05Å; P196-K261 PolarHBondContact O-NZ 3.36Å; C199-K261 PolarHBondContact SG-O 2.93Å; S259-K261 PolarHBondContact OG-N 3.24Å
262	C	94.2	Very high	92	Very high	12 Å²	12	66.4 Å²	66.4	8%	0.081	37%	0.366	C	S	.	.			trans	-103.5	142.6	-171.7	-49.5	0	0	0	0	111	P196 C199 Y204 V235 S259	P196-C262 VanDerWaalsContact CG-SG 3.55Å; C199-C262 HydrophobicContact CB-CB 3.88Å; C199-C262 WeakPolarHBondContact CB-SG 3.09Å; C199-C262 WeakPolarHBondContact SG-CA 3.31Å; C199-C262 WeakPolarHBondContact SG-CB 3.33Å; C199-C262 PolarHBondContact SG-N 2.92Å; C199-C262 VanDerWaalsContact SG-N 3.41Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.11Å; Y204-C262 HydrophobicContact CE1-CB 4.03Å; V235-C262 HydrophobicContact CG1-CB 4.26Å; S259-C262 PolarHBondContact OG-N 2.79Å
263	S	90.7	Very high	92	Very high	41 Å²	41	61.7 Å²	61.7	29%	0.287	35%	0.346	S	S	.	.			trans	-127.6	178	-171.5	73.8	0	0	0	0	111.5	E265 D266	S263-E265 PolarHBondContact O-N 3.02Å; S263-E265 PolarHBondContact OG-N 3.28Å; S263-D266 PolarHBondContact N-OD2 2.89Å; S263-D266 PolarHBondContact O-N 3.26Å; S263-D266 PolarHBondContact OG-OD2 2.95Å
264	H	88.3	Confident	92.1	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.389	34%	0.34	S	S	.	.	S	Bend	trans	-63.4	-27.3	173.7	66.8	-82.2	0	0	0	113	V237 K239 Y241 D266 T267	V237-H264 HydrophobicContact CG1-CB 4.11Å; K239-H264 HydrophobicContact CG-CB 4.09Å; Y241-H264 AromaticContact CZ-CD2 3.94Å; Y241-H264 PolarHBondContact OH-CD2 2.95Å; H264-D266 VanDerWaalsContact C-N 3.3Å; H264-D266 PolarHBondContact O-N 3.06Å; H264-T267 PolarHBondContact O-N 3.34Å; H264-T267 PolarHBondContact O-OG1 2.94Å
265	E	89.3	Confident	91.9	Very high	136 Å²	136	65.8 Å²	65.8	64%	0.636	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-63.8	-36.1	178.7	-59.5	179.6	177.9	0	0	111.9	S263 T267 N268	S263-E265 PolarHBondContact O-N 3.02Å; S263-E265 PolarHBondContact OG-N 3.28Å; E265-T267 PolarHBondContact O-N 3.38Å; E265-T267 VanDerWaalsContact O-N 3.11Å; E265-N268 PolarHBondContact O-N 3.48Å
266	D	90.9	Very high	91.6	Very high	42 Å²	42	65.7 Å²	65.7	23%	0.225	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.1	179.8	-60.7	-75.6	0	0	0	113.7	C199 Y204 S263 H264 R270	C199-D266 HydrophobicContact CB-CB 4.4Å; Y204-D266 HydrophobicContact CE2-CB 4.33Å; Y204-D266 WeakPolarHBondContact OH-CB 3.31Å; S263-D266 PolarHBondContact N-OD2 2.89Å; S263-D266 PolarHBondContact O-N 3.26Å; S263-D266 PolarHBondContact OG-OD2 2.95Å; H264-D266 VanDerWaalsContact C-N 3.3Å; H264-D266 PolarHBondContact O-N 3.06Å; D266-R270 WeakPolarHBondContact O-CD 3.26Å
267	T	90.4	Very high	91.1	Very high	2 Å²	2	65.9 Å²	65.9	1%	0.012	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-99.7	-12	-177.6	72.7	0	0	0	0	113.3	Y204 T206 V237 K239 H264 E265 R270 N273	Y204-T267 HydrophobicContact CD1-CG2 3.77Å; Y204-T267 HydrophobicContact CD2-CG2 4.09Å; Y204-T267 HydrophobicContact CE1-CG2 4.2Å; Y204-T267 HydrophobicContact CG-CG2 3.7Å; T206-T267 HydrophobicContact CG2-CG2 3.94Å; V237-T267 HydrophobicContact CB-CG2 3.87Å; V237-T267 HydrophobicContact CG1-CG2 3.86Å; V237-T267 HydrophobicContact CG2-CG2 3.8Å; K239-T267 WeakPolarHBondContact CE-OG1 3.46Å; K239-T267 PolarHBondContact NZ-OG1 3.2Å; H264-T267 PolarHBondContact O-N 3.34Å; H264-T267 PolarHBondContact O-OG1 2.94Å; E265-T267 PolarHBondContact O-N 3.38Å; E265-T267 VanDerWaalsContact O-N 3.11Å; T267-R270 PolarHBondContact O-N 3.31Å; T267-N273 PolarHBondContact O-ND2 3.29Å
268	N	85.5	Confident	90.1	Very high	91 Å²	91	65.4 Å²	65.4	49%	0.487	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	132.9	-174.4	-74	-22.9	0	0	0	111.5	Y241 E265 R270	Y241-N268 PolarHBondContact OH-OD1 3.41Å; E265-N268 PolarHBondContact O-N 3.48Å; N268-R270 PolarHBondContact O-N 3.39Å
269	G	81.9	Confident	88.7	Confident	91 Å²	91	66.4 Å²	66.4	94%	0.938	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	4.1	177.1	0	0	0	0	0	115.5
270	R	89.8	Confident	86.7	Confident	61 Å²	61	69.7 Å²	69.7	23%	0.23	38%	0.381	C	S	.	.			trans	-87.4	122.5	179.3	-69	-170.3	71.9	142.2	-0.6	111.9	K200 A202 D266 T267 N268 D272 N273	K200-R270 PolarHBondContact O-NH1 2.83Å; A202-R270 PolarHBondContact O-NH1 3.15Å; A202-R270 VanDerWaalsContact O-NH1 3.11Å; A202-R270 PolarHBondContact O-NH2 3.2Å; D266-R270 WeakPolarHBondContact O-CD 3.26Å; T267-R270 PolarHBondContact O-N 3.31Å; N268-R270 PolarHBondContact O-N 3.39Å; R270-D272 WeakPolarHBondContact CB-OD1 3.26Å; R270-D272 IonicContact CZ-OD1 3.31Å; R270-D272 IonicContact CZ-OD2 3.6Å; R270-D272 IonicContact NE-OD1 3.07Å; R270-D272 PolarHBondContact NE-OD1 2.99Å; R270-D272 IonicContact NE-OD2 2.6Å; R270-D272 IonicContact NH2-OD1 3.71Å; R270-D272 IonicContact NH2-OD2 2.67Å; R270-D272 PolarHBondContact NH2-OD2 3.02Å; R270-N273 PolarHBondContact O-ND2 3.21Å
271	S	89.3	Confident	84.3	Confident	128 Å²	128	70.9 Å²	70.9	90%	0.895	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	177.7	56.1	0	0	0	0	113.7	N273	S271-N273 VanDerWaalsContact C-N 3.34Å
272	D	92.4	Very high	82.2	Confident	56 Å²	56	68 Å²	68	30%	0.299	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.5	-178.4	66.7	-41.1	0	0	0	113.7	R234 R270	R234-D272 PolarHBondContact NH1-O 3.31Å; R234-D272 PolarHBondContact NH2-O 3.21Å; R270-D272 WeakPolarHBondContact CB-OD1 3.26Å; R270-D272 IonicContact CZ-OD1 3.31Å; R270-D272 IonicContact CZ-OD2 3.6Å; R270-D272 IonicContact NE-OD1 3.07Å; R270-D272 PolarHBondContact NE-OD1 2.99Å; R270-D272 IonicContact NE-OD2 2.6Å; R270-D272 IonicContact NH2-OD1 3.71Å; R270-D272 IonicContact NH2-OD2 2.67Å; R270-D272 PolarHBondContact NH2-OD2 3.02Å
273	N	92.3	Very high	79.8	Confident	34 Å²	34	73.3 Å²	73.3	18%	0.182	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-64.9	134.8	175.7	-66.9	-20.6	0	0	0	110.9	T206 T267 R270 S271	T206-N273 HydrophobicContact CG2-CB 4.27Å; T267-N273 PolarHBondContact O-ND2 3.29Å; R270-N273 PolarHBondContact O-ND2 3.21Å; S271-N273 VanDerWaalsContact C-N 3.34Å
274	I	94	Very high	77.6	Confident	51 Å²	51	75.5 Å²	75.5	26%	0.262	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.1	166.5	-64.7	177.7	0	0	0	107.7	Y204 V205 T206 L228 N232 R234 C276	Y204-I274 PolarHBondContact O-N 2.79Å; V205-I274 CarbonylContact C-O 3.47Å; V205-I274 VanDerWaalsContact CA-O 3.22Å; V205-I274 WeakPolarHBondContact CA-O 3.42Å; V205-I274 HydrophobicContact CG2-CB 4.06Å; V205-I274 HydrophobicContact CG2-CG2 4.31Å; T206-I274 PolarHBondContact N-O 2.59Å; L228-I274 HydrophobicContact CD2-CG2 4.2Å; N232-I274 HydrophobicContact CB-CD1 4.3Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å; I274-C276 PolarHBondContact O-N 3.15Å
275	E	91.9	Very high	75.9	Confident	130 Å²	130	71.9 Å²	71.9	61%	0.607	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.2	170.8	-170.2	170.8	-170.2	0	0	109.1	P277	E275-P277 WeakPolarHBondContact O-CD 3.41Å
276	C	90.7	Very high	74.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-66.3	120.7	176.8	-178.1	0	0	0	0	108.9	V205 T206 F207 C225 L228 I274 Y278	V205-C276 HydrophobicContact CG1-CB 3.88Å; T206-C276 PolarHBondContact O-N 3.47Å; F207-C276 HydrophobicContact CB-CB 4.07Å; F207-C276 HydrophobicContact CD2-CB 4.22Å; C225-C276 WeakPolarHBondContact CA-SG 3.48Å; C225-C276 HydrophobicContact CB-CB 3.77Å; C225-C276 WeakPolarHBondContact CB-SG 3.2Å; C225-C276 WeakPolarHBondContact SG-CB 3.3Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.13Å; L228-C276 HydrophobicContact CD2-CB 4.46Å; I274-C276 PolarHBondContact O-N 3.15Å; C276-Y278 PolarHBondContact O-N 3.23Å
277	P	85.5	Confident	72.5	Confident	73 Å²	73	69.6 Å²	69.6	47%	0.474	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-67.4	134.8	-178.9	27.6	-32.3	0	0	0	109.3	Q221 F224 E275 N279	Q221-P277 PolarHBondContact NE2-O 2.9Å; F224-P277 HydrophobicContact CE1-CG 3.9Å; F224-P277 HydrophobicContact CZ-CG 4.22Å; E275-P277 WeakPolarHBondContact O-CD 3.41Å; P277-N279 PolarHBondContact O-N 3.32Å
278	Y	75.4	Confident	71.3	Confident	57 Å²	57	70.3 Å²	70.3	22%	0.224	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-69.5	126.5	166.3	-65.4	-83.3	0	0	0	109.1	F207 D208 T210 M212 C276 I280	F207-Y278 HydrophobicContact CD2-CE1 4.31Å; F207-Y278 AromaticContact CE2-CD1 3.55Å; F207-Y278 HydrophobicContact CE2-CD1 3.55Å; F207-Y278 AromaticContact CE2-CE1 3.33Å; F207-Y278 HydrophobicContact CE2-CE1 3.33Å; F207-Y278 HydrophobicContact CE2-CG 4.47Å; F207-Y278 HydrophobicContact CZ-CD1 4.19Å; F207-Y278 AromaticContact CZ-CE1 3.85Å; F207-Y278 HydrophobicContact CZ-CE1 3.85Å; D208-Y278 WeakPolarHBondContact O-CE1 3.16Å; D208-Y278 VanDerWaalsContact O-CZ 3.24Å; D208-Y278 PolarHBondContact O-OH 2.97Å; T210-Y278 WeakPolarHBondContact CG2-OH 3.44Å; T210-Y278 VanDerWaalsContact OG1-CE1 3.31Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.46Å; T210-Y278 PolarHBondContact OG1-OH 3.1Å; T210-Y278 VanDerWaalsContact OG1-OH 3.08Å; M212-Y278 HydrophobicContact CE-CD1 3.09Å; M212-Y278 HydrophobicContact CE-CD2 4.18Å; M212-Y278 HydrophobicContact CE-CE1 3.36Å; M212-Y278 HydrophobicContact CE-CE2 4.38Å; M212-Y278 HydrophobicContact CE-CG 3.53Å; C276-Y278 PolarHBondContact O-N 3.23Å; Y278-I280 HydrophobicContact CD2-CD1 4.37Å; Y278-I280 HydrophobicContact CG-CD1 4.1Å; Y278-I280 HydrophobicContact CG-CG1 4.16Å; Y278-I280 PolarHBondContact O-N 3.13Å
279	N	65.1	Low	70.5	Confident	40 Å²	40	66.8 Å²	66.8	21%	0.214	38%	0.379	C	S	.	.			trans	-82.7	59.9	173	-156.2	-6.5	0	0	0	110.2	P277 N287 W288	P277-N279 PolarHBondContact O-N 3.32Å; N279-N287 WeakPolarHBondContact ND2-CB 3.43Å; N279-W288 HydrophobicContact CB-CH2 3.74Å; N279-W288 HydrophobicContact CB-CZ2 4.45Å; N279-W288 HydrophobicContact CB-CZ3 3.89Å
280	I	54	Low	70.1	Confident	84 Å²	84	62.6 Å²	62.6	43%	0.431	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-77.2	-28.5	-173.1	-44	176.8	0	0	0	111.6	M212 Y278 D282	M212-I280 HydrophobicContact CE-CD1 3.53Å; M212-I280 HydrophobicContact CE-CG1 3.74Å; M212-I280 HydrophobicContact SD-CD1 3.58Å; M212-I280 VanDerWaalsContact SD-CD1 3.58Å; M212-I280 HydrophobicContact SD-CG1 4.28Å; Y278-I280 HydrophobicContact CD2-CD1 4.37Å; Y278-I280 HydrophobicContact CG-CD1 4.1Å; Y278-I280 HydrophobicContact CG-CG1 4.16Å; Y278-I280 PolarHBondContact O-N 3.13Å; I280-D282 PolarHBondContact O-N 2.86Å
281	N	45.4	Very low	69.1	Low	157 Å²	157	63.8 Å²	63.8	84%	0.84	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-72.7	-8.8	-173.9	-72.4	-14	0	0	0	113.7
282	D	49.4	Very low	68.6	Low	57 Å²	57	58.2 Å²	58.2	31%	0.305	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-122.1	64.3	176.3	-71.4	-55.8	0	0	0	111.8	I280 V284 N287	I280-D282 PolarHBondContact O-N 2.86Å; D282-V284 CarbonylContact O-C 3.44Å; D282-V284 PolarHBondContact O-N 2.95Å; D282-N287 PolarHBondContact OD2-ND2 2.91Å
283	L	42.9	Very low	68.1	Low	123 Å²	123	55.7 Å²	55.7	64%	0.644	29%	0.29	S	S	*	.			trans	-47.9	-20.9	159.8	-78.2	157.9	0	0	0	112.1	A285	L283-A285 PolarHBondContact O-N 2.92Å
284	V	44.3	Very low	67.8	Low	87 Å²	87	54.3 Å²	54.3	53%	0.527	28%	0.283	S	S	.	.	S	Bend	trans	-90.1	97.4	175.1	-157.8	0	0	0	0	110.5	D282 H286	D282-V284 CarbonylContact O-C 3.44Å; D282-V284 PolarHBondContact O-N 2.95Å; V284-H286 WeakPolarHBondContact CG1-CE1 3.44Å; V284-H286 VanDerWaalsContact CG1-ND1 3.33Å; V284-H286 WeakPolarHBondContact CG1-ND1 3.41Å; V284-H286 PolarHBondContact O-N 3.02Å; V284-H286 PolarHBondContact O-ND1 2.87Å
285	A	52.8	Low	67.1	Low	8 Å²	8	55 Å²	55	7%	0.066	29%	0.287	C	S	.	.	S	Bend	trans	39.8	-36.1	149.4	0	0	0	0	0	123.2	L283 N287 R486	L283-A285 PolarHBondContact O-N 2.92Å; A285-N287 PolarHBondContact O-N 3.44Å; A285-R486 PolarHBondContact O-NH1 2.9Å
286	H	51.3	Low	66.8	Low	52 Å²	52	52.7 Å²	52.7	24%	0.241	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.9	-145.1	-63.3	88.3	0	0	0	115.5	V284 K519	V284-H286 WeakPolarHBondContact CG1-CE1 3.44Å; V284-H286 VanDerWaalsContact CG1-ND1 3.33Å; V284-H286 WeakPolarHBondContact CG1-ND1 3.41Å; V284-H286 PolarHBondContact O-N 3.02Å; V284-H286 PolarHBondContact O-ND1 2.87Å; H286-K519 PolarHBondContact NE2-NZ 2.76Å
287	N	58.7	Low	66.7	Low	77 Å²	77	52.8 Å²	52.8	41%	0.412	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	12.3	-166.7	-74.8	-10.9	0	0	0	115.5	N279 D282 A285	N279-N287 WeakPolarHBondContact ND2-CB 3.43Å; D282-N287 PolarHBondContact OD2-ND2 2.91Å; A285-N287 PolarHBondContact O-N 3.44Å
288	W	64.5	Low	66.6	Low	18 Å²	18	49.9 Å²	49.9	7%	0.068	26%	0.259	C	S	.	.			trans	-87.4	-15.9	-178.2	-61.2	112.8	0	0	0	114.5	H220 Q221 F224 N279	H220-W288 HydrophobicContact CB-CB 3.96Å; H220-W288 HydrophobicContact CB-CD2 3.57Å; H220-W288 HydrophobicContact CB-CE3 3.73Å; H220-W288 HydrophobicContact CB-CG 3.69Å; H220-W288 HydrophobicContact CB-CZ3 4.47Å; Q221-W288 HydrophobicContact CB-CH2 4.01Å; Q221-W288 HydrophobicContact CB-CZ3 3.85Å; Q221-W288 VanDerWaalsContact OE1-CH2 3.3Å; F224-W288 HydrophobicContact CB-CE3 4.48Å; N279-W288 HydrophobicContact CB-CH2 3.74Å; N279-W288 HydrophobicContact CB-CZ2 4.45Å; N279-W288 HydrophobicContact CB-CZ3 3.89Å
289	L	68	Low	67	Low	17 Å²	17	52.8 Å²	52.8	9%	0.089	28%	0.275	C	S	.	.	S	Bend	trans	-71	142.9	179.2	-70.1	-175	0	0	0	111.3	H291 V310 E516 D517	L289-H291 PolarHBondContact O-N 3.14Å; L289-V310 HydrophobicContact CD1-CG2 3.85Å; L289-V310 HydrophobicContact CD2-CG2 3.5Å; L289-V310 HydrophobicContact CG-CG2 4.32Å; L289-E516 HydrophobicContact CD1-CB 4.44Å; L289-D517 WeakPolarHBondContact CD1-OD1 3.02Å
290	P	73.5	Confident	68.2	Low	2 Å²	2	53.2 Å²	53.2	1%	0.013	28%	0.275	C	S	.	.			trans	-53.2	129.1	177.6	-31.3	37	0	0	0	113.4	Y309 F312 A313 L316 R520	P290-Y309 HydrophobicContact CB-CD1 4.35Å; P290-Y309 WeakPolarHBondContact CD-O 3.47Å; P290-Y309 WeakPolarHBondContact O-CD1 3.08Å; P290-Y309 WeakPolarHBondContact O-CE1 3.31Å; P290-F312 HydrophobicContact CB-CD1 3.52Å; P290-F312 HydrophobicContact CB-CE1 4.07Å; P290-F312 HydrophobicContact CG-CD1 3.55Å; P290-F312 HydrophobicContact CG-CE1 4.28Å; P290-F312 HydrophobicContact CG-CG 4.49Å; P290-A313 HydrophobicContact CG-CB 3.98Å; P290-L316 HydrophobicContact CG-CD1 4.48Å; P290-R520 PolarHBondContact O-NH1 2.91Å
291	H	70.6	Confident	69.9	Low	87 Å²	87	49.3 Å²	49.3	40%	0.403	26%	0.256	S	S	.	.	S	Bend	trans	-79.6	-23.1	-176.1	63.7	-77.1	0	0	0	113.1	Q227 E231 L289	Q227-H291 VanDerWaalsContact NE2-N 3.12Å; Q227-H291 PolarHBondContact NE2-ND1 2.6Å; Q227-H291 VanDerWaalsContact NE2-ND1 3.11Å; E231-H291 IonicContact OE1-CE1 3.73Å; E231-H291 PolarHBondContact OE1-CE1 3.3Å; E231-H291 IonicContact OE1-ND1 3.01Å; E231-H291 IonicContact OE1-NE2 2.96Å; E231-H291 IonicContact OE2-CE1 2.79Å; E231-H291 PolarHBondContact OE2-CE1 3.22Å; E231-H291 IonicContact OE2-NE2 3.82Å; E231-H291 PolarHBondContact OE2-NE2 3.47Å; L289-H291 PolarHBondContact O-N 3.14Å
292	V	77.5	Confident	71.9	Confident	10 Å²	10	44.7 Å²	44.7	6%	0.061	23%	0.231	C	C	.	.			trans	-136.4	166.1	174.4	-63.9	0	0	0	0	111.6	E231 T589 W590	E231-V292 HydrophobicContact CG-CG2 4.11Å; E231-V292 WeakPolarHBondContact OE1-CG2 3.24Å; E231-V292 WeakPolarHBondContact OE2-CG2 3.33Å; V292-T589 WeakPolarHBondContact CG1-OG1 3.4Å; V292-W590 HydrophobicContact CG2-CG 4.33Å
293	L	82.9	Confident	73.7	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.239	C	C	.	.			trans	-120.3	148	174.9	-68.4	169.7	0	0	0	109.4	I295 L301 P308 Y309 F312 I586	L293-I295 PolarHBondContact O-N 3.07Å; L293-L301 HydrophobicContact CD2-CD2 4.19Å; L293-P308 HydrophobicContact CD1-CB 3.67Å; L293-P308 HydrophobicContact CD1-CG 3.89Å; L293-Y309 HydrophobicContact CD1-CD1 4.17Å; L293-Y309 HydrophobicContact CD1-CE1 4.08Å; L293-Y309 HydrophobicContact CD1-CE2 4.4Å; L293-Y309 HydrophobicContact CD1-CG 4.4Å; L293-Y309 HydrophobicContact CD2-CD1 3.85Å; L293-Y309 HydrophobicContact CD2-CE1 4.35Å; L293-Y309 HydrophobicContact CD2-CG 4.31Å; L293-Y309 HydrophobicContact CG-CD1 3.69Å; L293-Y309 HydrophobicContact CG-CE1 3.68Å; L293-Y309 HydrophobicContact CG-CG 4.33Å; L293-F312 HydrophobicContact CD2-CB 3.69Å; L293-F312 HydrophobicContact CD2-CD1 4.4Å; L293-F312 HydrophobicContact CD2-CG 4.04Å; L293-I586 HydrophobicContact CD1-CG2 4.11Å
294	P	85	Confident	75.9	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.032	21%	0.21	C	C	.	.			trans	-58.5	126.7	175	-22.4	33.2	0	0	0	111.4	L186 F230 D296 M297 N298 F312	L186-P294 HydrophobicContact CD1-CG 4.46Å; F230-P294 HydrophobicContact CE1-CB 4.5Å; F230-P294 HydrophobicContact CE1-CG 3.93Å; P294-D296 VanDerWaalsContact C-N 3.28Å; P294-D296 PolarHBondContact O-N 3.3Å; P294-M297 HydrophobicContact CB-CB 4.36Å; P294-M297 HydrophobicContact CB-CG 4.37Å; P294-M297 HydrophobicContact CB-SD 4.4Å; P294-M297 PolarHBondContact O-N 3.13Å; P294-M297 VanDerWaalsContact O-N 3.13Å; P294-N298 PolarHBondContact O-N 3.06Å; P294-N298 VanDerWaalsContact O-N 3.11Å; P294-F312 HydrophobicContact CG-CD2 4.28Å; P294-F312 HydrophobicContact CG-CE2 3.6Å; P294-F312 HydrophobicContact CG-CZ 4.07Å
295	I	80.8	Confident	78.1	Confident	66 Å²	66	38.7 Å²	38.7	34%	0.338	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.7	-171.6	-164.5	162.2	0	0	0	113.5	L293 M297 N298 I588 W590	L293-I295 PolarHBondContact O-N 3.07Å; I295-M297 PolarHBondContact O-N 3.29Å; I295-N298 VanDerWaalsContact O-CG 3.31Å; I295-N298 PolarHBondContact O-OD1 3.02Å; I295-I588 HydrophobicContact CD1-CG2 3.91Å; I295-I588 HydrophobicContact CG1-CG2 3.93Å; I295-W590 WeakPolarHBondContact CB-O 3.37Å; I295-W590 WeakPolarHBondContact CD1-O 3.48Å; I295-W590 WeakPolarHBondContact CG2-O 3.06Å
296	D	84.8	Confident	79.6	Confident	81 Å²	81	43.2 Å²	43.2	43%	0.433	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.9	-178.6	71.6	-50.1	0	0	0	112.9	K189 P294	K189-D296 WeakPolarHBondContact CE-OD2 3.35Å; K189-D296 IonicContact NZ-OD1 3.62Å; K189-D296 PolarHBondContact NZ-OD1 3.11Å; K189-D296 VanDerWaalsContact NZ-OD1 3.07Å; K189-D296 IonicContact NZ-OD2 3.79Å; K189-D296 PolarHBondContact NZ-OD2 3.36Å; P294-D296 VanDerWaalsContact C-N 3.28Å; P294-D296 PolarHBondContact O-N 3.3Å
297	M	88.4	Confident	81.2	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-16.3	-179.8	-61.6	-174.9	-173.9	0	0	113	L182 R185 L186 K189 P294 I295 E300 L301	L182-M297 HydrophobicContact CD2-CB 3.91Å; L182-M297 HydrophobicContact CD2-CG 4.13Å; R185-M297 HydrophobicContact CB-CE 4.01Å; L186-M297 HydrophobicContact CB-CE 4.19Å; L186-M297 HydrophobicContact CB-SD 3.92Å; L186-M297 HydrophobicContact CD1-SD 4.29Å; K189-M297 HydrophobicContact CD-CE 3.76Å; K189-M297 HydrophobicContact CG-CE 4.49Å; P294-M297 HydrophobicContact CB-CB 4.36Å; P294-M297 HydrophobicContact CB-CG 4.37Å; P294-M297 HydrophobicContact CB-SD 4.4Å; P294-M297 PolarHBondContact O-N 3.13Å; P294-M297 VanDerWaalsContact O-N 3.13Å; I295-M297 PolarHBondContact O-N 3.29Å; M297-E300 PolarHBondContact O-N 2.79Å; M297-L301 VanDerWaalsContact O-CB 3.31Å; M297-L301 WeakPolarHBondContact O-CB 3.31Å; M297-L301 PolarHBondContact O-N 3.47Å
298	N	83.1	Confident	82.6	Confident	13 Å²	13	37.4 Å²	37.4	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-51.4	-166.7	68.2	-5.7	0	0	0	113.9	P294 I295 E300 L301 L302 I588	P294-N298 PolarHBondContact O-N 3.06Å; P294-N298 VanDerWaalsContact O-N 3.11Å; I295-N298 VanDerWaalsContact O-CG 3.31Å; I295-N298 PolarHBondContact O-OD1 3.02Å; N298-E300 PolarHBondContact O-N 3.47Å; N298-L301 PolarHBondContact O-N 2.92Å; N298-L301 VanDerWaalsContact O-N 3.14Å; N298-L302 WeakPolarHBondContact O-CB 3.39Å; N298-L302 WeakPolarHBondContact O-CG 3.5Å; N298-L302 PolarHBondContact O-N 2.93Å; N298-I588 VanDerWaalsContact ND2-CG2 3.31Å; N298-I588 WeakPolarHBondContact ND2-CG2 3.42Å
299	E	85	Confident	83.7	Confident	117 Å²	117	36.7 Å²	36.7	55%	0.547	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-37	-176.4	-74.4	-70	142.1	0	0	110.8	R303	E299-R303 WeakPolarHBondContact O-CB 3.27Å; E299-R303 PolarHBondContact O-N 2.84Å
300	E	89.4	Confident	84.7	Confident	49 Å²	49	35.9 Å²	35.9	23%	0.229	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-47.6	175.5	-164.8	-177.9	168.9	0	0	111.1	L182 R185 M297 N298 L302 R303 L304	L182-E300 HydrophobicContact CD1-CB 4.22Å; L182-E300 HydrophobicContact CD1-CG 3.94Å; L182-E300 HydrophobicContact CD2-CB 4.18Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.25Å; R185-E300 IonicContact CZ-OE2 3Å; R185-E300 IonicContact NH1-OE2 2.97Å; R185-E300 PolarHBondContact NH1-OE2 3.41Å; R185-E300 IonicContact NH2-OE1 3.35Å; R185-E300 PolarHBondContact NH2-OE1 2.63Å; R185-E300 IonicContact NH2-OE2 3.52Å; R185-E300 PolarHBondContact NH2-OE2 2.71Å; M297-E300 PolarHBondContact O-N 2.79Å; N298-E300 PolarHBondContact O-N 3.47Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-L302 PolarHBondContact O-N 2.78Å; E300-R303 WeakPolarHBondContact O-CB 3.4Å; E300-R303 PolarHBondContact O-N 3.04Å; E300-R303 VanDerWaalsContact O-N 3.12Å; E300-L304 HydrophobicContact CG-CD1 3.86Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.43Å
301	L	90.6	Very high	85.7	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-42.3	178.8	-175.6	59.9	0	0	0	111.6	L179 L182 L293 M297 N298 R303 L304 H305 P308 W311	L179-L301 HydrophobicContact CD2-CD1 4.06Å; L182-L301 HydrophobicContact CD1-CB 4.13Å; L182-L301 HydrophobicContact CD1-CD1 4.21Å; L293-L301 HydrophobicContact CD2-CD2 4.19Å; M297-L301 VanDerWaalsContact O-CB 3.31Å; M297-L301 WeakPolarHBondContact O-CB 3.31Å; M297-L301 PolarHBondContact O-N 3.47Å; N298-L301 PolarHBondContact O-N 2.92Å; N298-L301 VanDerWaalsContact O-N 3.14Å; L301-R303 PolarHBondContact O-N 2.92Å; L301-L304 PolarHBondContact O-N 3.31Å; L301-H305 HydrophobicContact CD1-CB 3.79Å; L301-H305 HydrophobicContact CG-CB 4.46Å; L301-H305 PolarHBondContact O-N 3.3Å; L301-P308 HydrophobicContact CD2-CB 3.59Å; L301-P308 HydrophobicContact CG-CB 3.68Å; L301-W311 HydrophobicContact CD1-CB 4.29Å; L301-W311 HydrophobicContact CD1-CD2 3.5Å; L301-W311 VanDerWaalsContact CD1-CD2 3.5Å; L301-W311 HydrophobicContact CD1-CE3 3.6Å; L301-W311 HydrophobicContact CD1-CG 3.8Å; L301-W311 HydrophobicContact CD1-CZ3 4.18Å; L301-W311 HydrophobicContact CD2-CD2 4.25Å; L301-W311 HydrophobicContact CD2-CE3 3.54Å; L301-W311 HydrophobicContact CD2-CZ3 4.02Å; L301-W311 HydrophobicContact CG-CE3 4.23Å
302	L	86.3	Confident	86.7	Confident	60 Å²	60	31.9 Å²	31.9	31%	0.314	15%	0.151	S	C	.	.	H	α-helix	trans	-63	-27.4	175.7	-70.6	-176.8	0	0	0	114.1	N298 E300 P308 I586	N298-L302 WeakPolarHBondContact O-CB 3.39Å; N298-L302 WeakPolarHBondContact O-CG 3.5Å; N298-L302 PolarHBondContact O-N 2.93Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-L302 PolarHBondContact O-N 2.78Å; L302-P308 HydrophobicContact CD2-CB 4.16Å; L302-P308 HydrophobicContact CD2-CG 3.73Å; L302-I586 HydrophobicContact CD1-CD1 4.36Å; L302-I586 HydrophobicContact CD1-CG2 4.48Å; L302-I586 HydrophobicContact CD2-CB 4.48Å; L302-I586 HydrophobicContact CD2-CD1 3.17Å; L302-I586 HydrophobicContact CD2-CG1 4.34Å; L302-I586 HydrophobicContact CD2-CG2 4.18Å; L302-I586 HydrophobicContact CG-CD1 4.38Å
303	R	86.6	Confident	87.5	Confident	126 Å²	126	31.4 Å²	31.4	48%	0.475	15%	0.149	S	C	.	.	H	α-helix	trans	-79.7	-24.6	175.9	-177.4	-176.9	61.7	106.2	2.8	112	R5 E299 E300 L301	R5-R303 PolarHBondContact NH1-O 3.39Å; E299-R303 WeakPolarHBondContact O-CB 3.27Å; E299-R303 PolarHBondContact O-N 2.84Å; E300-R303 WeakPolarHBondContact O-CB 3.4Å; E300-R303 PolarHBondContact O-N 3.04Å; E300-R303 VanDerWaalsContact O-N 3.12Å; L301-R303 PolarHBondContact O-N 2.92Å
304	L	90.3	Very high	88.1	Confident	7 Å²	7	31.2 Å²	31.2	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-109.7	-25.1	-168.3	-62.7	-179.5	0	0	0	114.2	R175 L179 L182 E300 L301	R175-L304 VanDerWaalsContact CD-O 3.27Å; R175-L304 WeakPolarHBondContact CD-O 3.49Å; R175-L304 HydrophobicContact CG-CB 4.48Å; R175-L304 VanDerWaalsContact CG-O 3.25Å; R175-L304 WeakPolarHBondContact CG-O 3.42Å; L179-L304 HydrophobicContact CD2-CB 3.67Å; L179-L304 HydrophobicContact CG-CB 4.01Å; L182-L304 HydrophobicContact CD1-CD1 3.84Å; E300-L304 HydrophobicContact CG-CD1 3.86Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.43Å; L301-L304 PolarHBondContact O-N 3.31Å
305	H	89.9	Confident	88.7	Confident	7 Å²	7	31.2 Å²	31.2	3%	0.032	15%	0.147	C	C	.	.			trans	-131.9	134.6	-174.2	-152.7	-79.9	0	0	0	111.6	L179 L301 A307 W311 Q493 D501 T503	L179-H305 HydrophobicContact CD2-CB 4.02Å; L301-H305 HydrophobicContact CD1-CB 3.79Å; L301-H305 HydrophobicContact CG-CB 4.46Å; L301-H305 PolarHBondContact O-N 3.3Å; H305-A307 VanDerWaalsContact ND1-C 3.32Å; H305-A307 PolarHBondContact ND1-N 3.21Å; H305-A307 VanDerWaalsContact ND1-N 3.13Å; H305-A307 PolarHBondContact ND1-O 3.15Å; H305-A307 VanDerWaalsContact ND1-O 3.15Å; H305-W311 AromaticContact CD2-CD1 3.46Å; H305-W311 VanDerWaalsContact CD2-CD1 3.46Å; H305-W311 AromaticContact CD2-CG 3.93Å; H305-W311 AromaticContact NE2-CD1 3.69Å; H305-Q493 PolarHBondContact CE1-OE1 2.88Å; H305-Q493 VanDerWaalsContact CE1-OE1 3.28Å; H305-Q493 PolarHBondContact NE2-OE1 3.08Å; H305-D501 IonicContact CD2-OD1 3.16Å; H305-D501 IonicContact CE1-OD1 3.7Å; H305-D501 PolarHBondContact CE1-OD1 2.92Å; H305-D501 IonicContact CG-OD1 2.77Å; H305-D501 IonicContact ND1-OD1 2.96Å; H305-D501 IonicContact NE2-OD1 3.97Å; H305-T503 PolarHBondContact CE1-OG1 3.29Å; H305-T503 PolarHBondContact ND1-OG1 2.86Å
306	E	84.2	Confident	89.4	Confident	104 Å²	104	28.1 Å²	28.1	49%	0.486	13%	0.131	S	C	.	.	S	Bend	trans	-72.3	-37.9	178.4	-178.8	177.6	-176.9	0	0	112.8	P308 D501 T503 Q504	E306-P308 VanDerWaalsContact O-CD 3.3Å; E306-P308 WeakPolarHBondContact O-CD 3.42Å; E306-D501 PolarHBondContact N-OD2 2.94Å; E306-T503 HydrophobicContact CB-CG2 3.87Å; E306-T503 HydrophobicContact CG-CG2 3.94Å; E306-Q504 PolarHBondContact OE1-NE2 3.25Å; E306-Q504 WeakPolarHBondContact OE2-CG 3.27Å; E306-Q504 PolarHBondContact OE2-NE2 2.89Å
307	A	85.4	Confident	90	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.111	C	C	.	.	S	Bend	trans	-114.5	78.2	177.1	0	0	0	0	0	113.7	H305 Y309 V310 W311 T503 F513	H305-A307 VanDerWaalsContact ND1-C 3.32Å; H305-A307 PolarHBondContact ND1-N 3.21Å; H305-A307 VanDerWaalsContact ND1-N 3.13Å; H305-A307 PolarHBondContact ND1-O 3.15Å; H305-A307 VanDerWaalsContact ND1-O 3.15Å; A307-Y309 PolarHBondContact O-N 2.76Å; A307-V310 HydrophobicContact CB-CB 4.45Å; A307-V310 PolarHBondContact O-N 2.81Å; A307-W311 PolarHBondContact O-N 2.86Å; A307-W311 VanDerWaalsContact O-N 3.13Å; A307-T503 HydrophobicContact CB-CG2 3.59Å; A307-T503 PolarHBondContact N-OG1 2.6Å; A307-F513 HydrophobicContact CB-CE1 3.5Å; A307-F513 HydrophobicContact CB-CZ 3.86Å
308	P	87.9	Confident	90.5	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.032	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-33.8	-168.9	29.6	-40.9	0	0	0	114.1	L293 L301 L302 E306 V310 W311 F312 I586	L293-P308 HydrophobicContact CD1-CB 3.67Å; L293-P308 HydrophobicContact CD1-CG 3.89Å; L301-P308 HydrophobicContact CD2-CB 3.59Å; L301-P308 HydrophobicContact CG-CB 3.68Å; L302-P308 HydrophobicContact CD2-CB 4.16Å; L302-P308 HydrophobicContact CD2-CG 3.73Å; E306-P308 VanDerWaalsContact O-CD 3.3Å; E306-P308 WeakPolarHBondContact O-CD 3.42Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 2.87Å; P308-W311 WeakPolarHBondContact O-CB 3.5Å; P308-F312 PolarHBondContact O-N 3.42Å; P308-I586 HydrophobicContact CG-CD1 4.29Å
309	Y	86.8	Confident	91.2	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-69.1	-30.6	179.4	-65.7	-82.7	0	0	0	113.1	P290 L293 A307 F312 A313 L521 I586 N587	P290-Y309 HydrophobicContact CB-CD1 4.35Å; P290-Y309 WeakPolarHBondContact CD-O 3.47Å; P290-Y309 WeakPolarHBondContact O-CD1 3.08Å; P290-Y309 WeakPolarHBondContact O-CE1 3.31Å; L293-Y309 HydrophobicContact CD1-CD1 4.17Å; L293-Y309 HydrophobicContact CD1-CE1 4.08Å; L293-Y309 HydrophobicContact CD1-CE2 4.4Å; L293-Y309 HydrophobicContact CD1-CG 4.4Å; L293-Y309 HydrophobicContact CD2-CD1 3.85Å; L293-Y309 HydrophobicContact CD2-CE1 4.35Å; L293-Y309 HydrophobicContact CD2-CG 4.31Å; L293-Y309 HydrophobicContact CG-CD1 3.69Å; L293-Y309 HydrophobicContact CG-CE1 3.68Å; L293-Y309 HydrophobicContact CG-CG 4.33Å; A307-Y309 PolarHBondContact O-N 2.76Å; Y309-F312 PolarHBondContact O-N 3.17Å; Y309-A313 PolarHBondContact O-N 2.69Å; Y309-L521 HydrophobicContact CE2-CD2 3.87Å; Y309-I586 HydrophobicContact CE2-CG2 3.88Å; Y309-N587 PolarHBondContact OH-N 3.14Å
310	V	89.8	Confident	91.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-86	-31.4	-178.6	-179.2	0	0	0	0	111.4	L289 A307 P308 F312 A313 G314 Y489 E490 Q493 F513	L289-V310 HydrophobicContact CD1-CG2 3.85Å; L289-V310 HydrophobicContact CD2-CG2 3.5Å; L289-V310 HydrophobicContact CG-CG2 4.32Å; A307-V310 HydrophobicContact CB-CB 4.45Å; A307-V310 PolarHBondContact O-N 2.81Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 2.87Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 3.15Å; V310-A313 PolarHBondContact O-N 3.25Å; V310-G314 PolarHBondContact O-N 2.79Å; V310-Y489 HydrophobicContact CG1-CD1 3.91Å; V310-Y489 HydrophobicContact CG1-CE1 3.66Å; V310-E490 HydrophobicContact CG1-CG 3.88Å; V310-Q493 HydrophobicContact CG1-CG 4.03Å; V310-F513 HydrophobicContact CB-CE2 4.14Å; V310-F513 HydrophobicContact CB-CZ 3.63Å; V310-F513 HydrophobicContact CG1-CE2 4.05Å; V310-F513 HydrophobicContact CG1-CZ 3.88Å; V310-F513 HydrophobicContact CG2-CE1 4.46Å; V310-F513 HydrophobicContact CG2-CE2 3.51Å; V310-F513 HydrophobicContact CG2-CZ 3.21Å
311	W	93.4	Very high	92.2	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-53.7	-49.4	159.6	-177.8	88.6	0	0	0	111.4	L182 A183 L186 L301 H305 A307 P308 G314 Q315 H496	L182-W311 HydrophobicContact CB-CH2 3.9Å; L182-W311 HydrophobicContact CB-CZ2 3.91Å; A183-W311 HydrophobicContact CB-CZ2 3.88Å; L186-W311 HydrophobicContact CB-CH2 4.49Å; L186-W311 HydrophobicContact CD2-CH2 4.03Å; L186-W311 HydrophobicContact CD2-CZ3 3.74Å; L301-W311 HydrophobicContact CD1-CB 4.29Å; L301-W311 HydrophobicContact CD1-CD2 3.5Å; L301-W311 VanDerWaalsContact CD1-CD2 3.5Å; L301-W311 HydrophobicContact CD1-CE3 3.6Å; L301-W311 HydrophobicContact CD1-CG 3.8Å; L301-W311 HydrophobicContact CD1-CZ3 4.18Å; L301-W311 HydrophobicContact CD2-CD2 4.25Å; L301-W311 HydrophobicContact CD2-CE3 3.54Å; L301-W311 HydrophobicContact CD2-CZ3 4.02Å; L301-W311 HydrophobicContact CG-CE3 4.23Å; H305-W311 AromaticContact CD2-CD1 3.46Å; H305-W311 VanDerWaalsContact CD2-CD1 3.46Å; H305-W311 AromaticContact CD2-CG 3.93Å; H305-W311 AromaticContact NE2-CD1 3.69Å; A307-W311 PolarHBondContact O-N 2.86Å; A307-W311 VanDerWaalsContact O-N 3.13Å; P308-W311 WeakPolarHBondContact O-CB 3.5Å; W311-G314 PolarHBondContact O-N 2.77Å; W311-Q315 HydrophobicContact CD2-CG 4.16Å; W311-Q315 HydrophobicContact CE3-CG 4.08Å; W311-Q315 HydrophobicContact CH2-CG 3.78Å; W311-Q315 HydrophobicContact CZ2-CG 3.87Å; W311-Q315 HydrophobicContact CZ3-CG 3.89Å; W311-Q315 WeakPolarHBondContact O-CG 3.38Å; W311-Q315 PolarHBondContact O-N 2.97Å; W311-H496 AromaticContact CD1-NE2 3.53Å; W311-H496 AromaticContact CE2-NE2 3.78Å; W311-H496 AromaticContact NE1-CD2 3.55Å; W311-H496 AromaticContact NE1-CE1 3.66Å; W311-H496 AromaticContact NE1-NE2 2.79Å; W311-H496 PolarHBondContact NE1-NE2 2.6Å
312	F	93.1	Very high	92.5	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-44.7	179.9	-174	-113.5	0	0	0	112	L186 Q227 F230 P290 L293 P294 P308 Y309 V310 G314 Q315 L316	L186-F312 HydrophobicContact CD1-CD2 4.5Å; L186-F312 HydrophobicContact CD1-CE2 3.78Å; L186-F312 HydrophobicContact CD2-CD2 3.42Å; L186-F312 VanDerWaalsContact CD2-CD2 3.42Å; L186-F312 HydrophobicContact CD2-CE2 3.52Å; L186-F312 HydrophobicContact CG-CE2 4.28Å; Q227-F312 HydrophobicContact CG-CE1 4.41Å; F230-F312 HydrophobicContact CD1-CZ 4.29Å; P290-F312 HydrophobicContact CB-CD1 3.52Å; P290-F312 HydrophobicContact CB-CE1 4.07Å; P290-F312 HydrophobicContact CG-CD1 3.55Å; P290-F312 HydrophobicContact CG-CE1 4.28Å; P290-F312 HydrophobicContact CG-CG 4.49Å; L293-F312 HydrophobicContact CD2-CB 3.69Å; L293-F312 HydrophobicContact CD2-CD1 4.4Å; L293-F312 HydrophobicContact CD2-CG 4.04Å; P294-F312 HydrophobicContact CG-CD2 4.28Å; P294-F312 HydrophobicContact CG-CE2 3.6Å; P294-F312 HydrophobicContact CG-CZ 4.07Å; P308-F312 PolarHBondContact O-N 3.42Å; Y309-F312 PolarHBondContact O-N 3.17Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 3.15Å; F312-G314 VanDerWaalsContact C-N 3.31Å; F312-G314 PolarHBondContact O-N 2.98Å; F312-Q315 WeakPolarHBondContact O-CB 3.46Å; F312-Q315 PolarHBondContact O-N 3.24Å; F312-Q315 VanDerWaalsContact O-N 3.09Å; F312-L316 HydrophobicContact CD1-CD1 4.27Å; F312-L316 HydrophobicContact CE1-CD1 3.97Å; F312-L316 HydrophobicContact CE1-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD2 4.26Å; F312-L316 WeakPolarHBondContact O-CG 3.44Å; F312-L316 PolarHBondContact O-N 3.16Å; F312-L316 VanDerWaalsContact O-N 3.1Å
313	A	92.8	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-55.5	-45.2	172.5	0	0	0	0	0	112	M223 P290 Y309 V310 Q315 L316 A317 E490	M223-A313 HydrophobicContact CE-CB 3.78Å; M223-A313 VanDerWaalsContact CE-O 3.28Å; M223-A313 WeakPolarHBondContact CE-O 3.48Å; P290-A313 HydrophobicContact CG-CB 3.98Å; Y309-A313 PolarHBondContact O-N 2.69Å; V310-A313 PolarHBondContact O-N 3.25Å; A313-Q315 VanDerWaalsContact C-N 3.28Å; A313-Q315 PolarHBondContact O-N 2.94Å; A313-L316 WeakPolarHBondContact O-CB 3.44Å; A313-L316 PolarHBondContact O-N 2.66Å; A313-L316 VanDerWaalsContact O-N 3.11Å; A313-A317 PolarHBondContact O-N 3.06Å; A313-E490 HydrophobicContact CB-CG 3.99Å
314	G	96.2	Very high	93.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.6	-40	174.8	0	0	0	0	0	113.4	V310 W311 F312 A317 A318 E490 T494	V310-G314 PolarHBondContact O-N 2.79Å; W311-G314 PolarHBondContact O-N 2.77Å; F312-G314 VanDerWaalsContact C-N 3.31Å; F312-G314 PolarHBondContact O-N 2.98Å; G314-A317 PolarHBondContact O-N 2.95Å; G314-A318 WeakPolarHBondContact O-CB 3.48Å; G314-A318 PolarHBondContact O-N 3.29Å; G314-E490 WeakPolarHBondContact CA-O 3.49Å; G314-T494 VanDerWaalsContact O-CG2 3.29Å; G314-T494 WeakPolarHBondContact O-CG2 3.27Å
315	Q	97.3	Very high	93.8	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-39.8	175.8	-62.8	-56.4	-45.1	0	0	112.3	L186 Q187 W311 F312 A313 A318 Y319 H496	L186-Q315 HydrophobicContact CD2-CB 3.64Å; L186-Q315 HydrophobicContact CD2-CG 3.89Å; Q187-Q315 PolarHBondContact NE2-O 3Å; W311-Q315 HydrophobicContact CD2-CG 4.16Å; W311-Q315 HydrophobicContact CE3-CG 4.08Å; W311-Q315 HydrophobicContact CH2-CG 3.78Å; W311-Q315 HydrophobicContact CZ2-CG 3.87Å; W311-Q315 HydrophobicContact CZ3-CG 3.89Å; W311-Q315 WeakPolarHBondContact O-CG 3.38Å; W311-Q315 PolarHBondContact O-N 2.97Å; F312-Q315 WeakPolarHBondContact O-CB 3.46Å; F312-Q315 PolarHBondContact O-N 3.24Å; F312-Q315 VanDerWaalsContact O-N 3.09Å; A313-Q315 VanDerWaalsContact C-N 3.28Å; A313-Q315 PolarHBondContact O-N 2.94Å; Q315-A318 PolarHBondContact O-N 3.28Å; Q315-Y319 PolarHBondContact O-N 2.97Å; Q315-H496 PolarHBondContact NE2-CE1 3.08Å
316	L	97	Very high	94	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-46.8	174.3	-59.2	176.6	0	0	0	111.2	I190 M223 L226 Q227 P290 F312 A313 A318 Y319 I320	I190-L316 HydrophobicContact CD1-CD2 3.96Å; M223-L316 HydrophobicContact CB-CB 4.33Å; M223-L316 HydrophobicContact CG-CB 4.22Å; L226-L316 HydrophobicContact CD2-CB 4.32Å; L226-L316 HydrophobicContact CD2-CD2 3.97Å; L226-L316 HydrophobicContact CG-CD2 4.09Å; Q227-L316 HydrophobicContact CB-CD1 3.89Å; P290-L316 HydrophobicContact CG-CD1 4.48Å; F312-L316 HydrophobicContact CD1-CD1 4.27Å; F312-L316 HydrophobicContact CE1-CD1 3.97Å; F312-L316 HydrophobicContact CE1-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD2 4.26Å; F312-L316 WeakPolarHBondContact O-CG 3.44Å; F312-L316 PolarHBondContact O-N 3.16Å; F312-L316 VanDerWaalsContact O-N 3.1Å; A313-L316 WeakPolarHBondContact O-CB 3.44Å; A313-L316 PolarHBondContact O-N 2.66Å; A313-L316 VanDerWaalsContact O-N 3.11Å; L316-A318 VanDerWaalsContact C-N 3.33Å; L316-A318 PolarHBondContact O-N 3.36Å; L316-Y319 PolarHBondContact O-N 3.05Å; L316-I320 WeakPolarHBondContact O-CD1 3.39Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 2.82Å; L316-I320 VanDerWaalsContact O-N 3.11Å
317	A	97.3	Very high	94.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-43.9	176.9	0	0	0	0	0	111.8	M223 A313 G314 Y319 I320 L321 L487 L491	M223-A317 HydrophobicContact CE-CB 4.13Å; M223-A317 HydrophobicContact CG-CB 4.49Å; M223-A317 HydrophobicContact SD-CB 3.8Å; A313-A317 PolarHBondContact O-N 3.06Å; G314-A317 PolarHBondContact O-N 2.95Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 2.76Å; A317-I320 PolarHBondContact O-N 3.26Å; A317-L321 WeakPolarHBondContact O-CB 3Å; A317-L321 PolarHBondContact O-N 2.95Å; A317-L487 HydrophobicContact CB-CD1 3.87Å; A317-L491 HydrophobicContact CB-CD2 3.76Å; A317-L491 HydrophobicContact CB-CG 4.19Å
318	A	97.8	Very high	95.1	Very high	26 Å²	26	25.8 Å²	25.8	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-36	177.5	0	0	0	0	0	113.1	G314 Q315 L316 R322 L491 T494	G314-A318 WeakPolarHBondContact O-CB 3.48Å; G314-A318 PolarHBondContact O-N 3.29Å; Q315-A318 PolarHBondContact O-N 3.28Å; L316-A318 VanDerWaalsContact C-N 3.33Å; L316-A318 PolarHBondContact O-N 3.36Å; A318-R322 VanDerWaalsContact O-CG 3.31Å; A318-R322 WeakPolarHBondContact O-CG 3.23Å; A318-R322 PolarHBondContact O-N 3.09Å; A318-L491 HydrophobicContact CB-CD2 4.46Å; A318-T494 HydrophobicContact CB-CG2 4.04Å
319	Y	98.2	Very high	95.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-40.7	175.4	-173.6	-90.2	0	0	0	111.7	I190 Q191 Q194 L226 L258 Q315 L316 A317 R322	I190-Y319 HydrophobicContact CB-CD2 4.12Å; I190-Y319 HydrophobicContact CB-CE2 4.17Å; I190-Y319 HydrophobicContact CG2-CD1 3.73Å; I190-Y319 HydrophobicContact CG2-CD2 3.65Å; I190-Y319 HydrophobicContact CG2-CE1 3.74Å; I190-Y319 HydrophobicContact CG2-CE2 3.65Å; I190-Y319 HydrophobicContact CG2-CG 3.7Å; Q191-Y319 HydrophobicContact CB-CE2 4.11Å; Q191-Y319 PolarHBondContact OE1-OH 3.35Å; Q191-Y319 VanDerWaalsContact OE1-OH 3.13Å; Q194-Y319 WeakPolarHBondContact CB-OH 3.46Å; Q194-Y319 HydrophobicContact CG-CE1 4.06Å; L226-Y319 HydrophobicContact CD2-CD1 3.99Å; L258-Y319 HydrophobicContact CD2-CD1 4.24Å; L258-Y319 HydrophobicContact CD2-CE1 4.26Å; L258-Y319 WeakPolarHBondContact O-CE1 3.37Å; L258-Y319 PolarHBondContact O-OH 3.49Å; Q315-Y319 PolarHBondContact O-N 2.97Å; L316-Y319 PolarHBondContact O-N 3.05Å; A317-Y319 VanDerWaalsContact C-N 3.35Å; A317-Y319 PolarHBondContact O-N 2.76Å; Y319-R322 VanDerWaalsContact CZ-NH2 3.25Å; Y319-R322 WeakPolarHBondContact O-CG 3.46Å; Y319-R322 PolarHBondContact O-NE 3.33Å; Y319-R322 PolarHBondContact OH-NH2 2.97Å
320	I	97.4	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-44.1	178.7	-64	158.6	0	0	0	111	M219 I222 M223 L226 L251 L258 L316 A317 R322	M219-I320 HydrophobicContact CE-CB 4.16Å; M219-I320 HydrophobicContact CE-CD1 4.38Å; M219-I320 HydrophobicContact CE-CG2 3.76Å; M219-I320 HydrophobicContact SD-CG2 4.06Å; I222-I320 HydrophobicContact CB-CD1 4.22Å; I222-I320 HydrophobicContact CG2-CD1 3.62Å; I222-I320 HydrophobicContact CG2-CG1 4.03Å; I222-I320 HydrophobicContact CG2-CG2 4.3Å; M223-I320 HydrophobicContact CB-CD1 4.32Å; M223-I320 HydrophobicContact CG-CD1 3.55Å; L226-I320 HydrophobicContact CD2-CD1 4.14Å; L226-I320 HydrophobicContact CD2-CG1 3.96Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å; L258-I320 HydrophobicContact CD2-CB 4.28Å; L258-I320 HydrophobicContact CD2-CG1 3.89Å; L258-I320 HydrophobicContact CD2-CG2 4.41Å; L316-I320 WeakPolarHBondContact O-CD1 3.39Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 2.82Å; L316-I320 VanDerWaalsContact O-N 3.11Å; A317-I320 PolarHBondContact O-N 3.26Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.45Å
321	L	96.8	Very high	96	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	24.3	-172.4	-67	175.8	0	0	0	114.5	M219 W250 A317 P323 L491	M219-L321 HydrophobicContact CE-CD1 3.82Å; M219-L321 HydrophobicContact CE-CD2 3.97Å; M219-L321 HydrophobicContact CE-CG 3.67Å; M219-L321 HydrophobicContact SD-CD2 3.84Å; M219-L321 HydrophobicContact SD-CG 4.24Å; W250-L321 HydrophobicContact CZ3-CD2 4.37Å; A317-L321 WeakPolarHBondContact O-CB 3Å; A317-L321 PolarHBondContact O-N 2.95Å; L321-P323 WeakPolarHBondContact O-CD 3.24Å; L321-L491 HydrophobicContact CD1-CD1 3.99Å; L321-L491 HydrophobicContact CD1-CD2 4.47Å
322	R	97.5	Very high	96.1	Very high	45 Å²	45	39.2 Å²	39.2	17%	0.17	20%	0.204	C	C	.	.			trans	-61	108	176	-69.6	177.8	-66.2	170.2	2.3	109.8	T255 L256 P257 A318 Y319 I320	T255-R322 CarbonylContact C-O 3.58Å; T255-R322 WeakPolarHBondContact CA-O 3.4Å; T255-R322 VanDerWaalsContact CB-O 3.3Å; T255-R322 WeakPolarHBondContact CB-O 3.31Å; L256-R322 HydrophobicContact CB-CB 4.09Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.17Å; L256-R322 PolarHBondContact N-O 2.9Å; P257-R322 PolarHBondContact O-NH2 3.37Å; A318-R322 VanDerWaalsContact O-CG 3.31Å; A318-R322 WeakPolarHBondContact O-CG 3.23Å; A318-R322 PolarHBondContact O-N 3.09Å; Y319-R322 VanDerWaalsContact CZ-NH2 3.25Å; Y319-R322 WeakPolarHBondContact O-CG 3.46Å; Y319-R322 PolarHBondContact O-NE 3.33Å; Y319-R322 PolarHBondContact OH-NH2 2.97Å; I320-R322 VanDerWaalsContact C-N 3.32Å; I320-R322 PolarHBondContact O-N 3.45Å
323	P	97.1	Very high	96.2	Very high	53 Å²	53	42.1 Å²	42.1	34%	0.344	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-77.4	144.3	-168.8	31.9	-34.8	0	0	0	111.4	L321 F327 I331	L321-P323 WeakPolarHBondContact O-CD 3.24Å; P323-F327 HydrophobicContact CB-CD1 3.88Å; P323-I331 HydrophobicContact CB-CD1 4.14Å; P323-I331 HydrophobicContact CG-CD1 4.44Å
324	K	97.3	Very high	96.2	Very high	66 Å²	66	42.7 Å²	42.7	29%	0.287	23%	0.232	S	C	.	.			trans	-71.7	159.7	162.4	-69.8	-170.9	-165.4	160.8	0	110.4	H252 Q253 N254 T255 L256 K326 F327 S328	H252-K324 PolarHBondContact O-NZ 2.8Å; Q253-K324 WeakPolarHBondContact O-CD 3.41Å; Q253-K324 PolarHBondContact O-NZ 2.85Å; N254-K324 PolarHBondContact O-N 3.47Å; T255-K324 WeakPolarHBondContact O-CE 3.29Å; L256-K324 HydrophobicContact CD2-CG 4.18Å; K324-K326 PolarHBondContact O-N 2.88Å; K324-F327 PolarHBondContact O-N 3.25Å; K324-F327 VanDerWaalsContact O-N 3.11Å; K324-S328 PolarHBondContact O-N 3.46Å
325	P	96.7	Very high	96.2	Very high	100 Å²	100	43.5 Å²	43.5	65%	0.649	24%	0.237	S	C	*	.	H	α-helix	trans	-50.8	-47.3	-174.8	-30.9	36.4	0	0	0	115	F327 S328 E329	P325-F327 PolarHBondContact O-N 3.13Å; P325-S328 WeakPolarHBondContact O-CB 3.4Å; P325-S328 PolarHBondContact O-N 3Å; P325-S328 VanDerWaalsContact O-N 3.13Å; P325-E329 PolarHBondContact O-N 2.93Å
326	K	94.6	Very high	96.1	Very high	174 Å²	174	50.5 Å²	50.5	76%	0.757	27%	0.267	S	S	*	.	H	α-helix	trans	-58.7	-42.4	-180	-175.6	179.9	179.3	-178	0	113.1	K324	K324-K326 PolarHBondContact O-N 2.88Å
327	F	95.4	Very high	95.8	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-74.2	-34.4	178.2	-173.7	-122.7	0	0	0	111.5	W250 N254 P323 K324 P325 E329 L330 I331 I464 V465 I468	W250-F327 HydrophobicContact CH2-CD1 4.11Å; W250-F327 AromaticContact CH2-CE1 3.59Å; W250-F327 HydrophobicContact CH2-CE1 3.59Å; W250-F327 HydrophobicContact CH2-CE2 4.48Å; W250-F327 AromaticContact CH2-CZ 3.84Å; W250-F327 HydrophobicContact CH2-CZ 3.84Å; W250-F327 HydrophobicContact CZ2-CD1 4.1Å; W250-F327 HydrophobicContact CZ2-CD2 4.13Å; W250-F327 AromaticContact CZ2-CE1 3.63Å; W250-F327 HydrophobicContact CZ2-CE1 3.63Å; W250-F327 AromaticContact CZ2-CE2 3.68Å; W250-F327 HydrophobicContact CZ2-CE2 3.68Å; W250-F327 HydrophobicContact CZ2-CG 4.36Å; W250-F327 AromaticContact CZ2-CZ 3.44Å; W250-F327 HydrophobicContact CZ2-CZ 3.44Å; W250-F327 VanDerWaalsContact CZ2-CZ 3.44Å; N254-F327 HydrophobicContact CB-CB 4Å; N254-F327 HydrophobicContact CB-CD1 4.28Å; N254-F327 HydrophobicContact CB-CD2 4.49Å; N254-F327 HydrophobicContact CB-CG 4.01Å; P323-F327 HydrophobicContact CB-CD1 3.88Å; K324-F327 PolarHBondContact O-N 3.25Å; K324-F327 VanDerWaalsContact O-N 3.11Å; P325-F327 PolarHBondContact O-N 3.13Å; F327-E329 VanDerWaalsContact C-N 3.3Å; F327-E329 PolarHBondContact O-N 2.93Å; F327-L330 HydrophobicContact CD2-CD2 4.26Å; F327-L330 HydrophobicContact CE2-CD2 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.11Å; F327-L330 PolarHBondContact O-N 3.33Å; F327-I331 HydrophobicContact CD1-CD1 3.69Å; F327-I331 HydrophobicContact CD1-CG1 4.41Å; F327-I331 HydrophobicContact CE1-CD1 3.51Å; F327-I331 HydrophobicContact CE1-CG1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.38Å; F327-I331 HydrophobicContact CZ-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CG1 4.09Å; F327-I331 WeakPolarHBondContact O-CG1 3.34Å; F327-I331 PolarHBondContact O-N 3.2Å; F327-I464 HydrophobicContact CE1-CG2 4.03Å; F327-I464 HydrophobicContact CZ-CB 4.24Å; F327-I464 HydrophobicContact CZ-CG2 3.78Å; F327-V465 HydrophobicContact CE2-CG2 3.76Å; F327-V465 HydrophobicContact CZ-CG2 4Å; F327-I468 HydrophobicContact CE1-CD1 4.12Å; F327-I468 HydrophobicContact CZ-CD1 4.45Å
328	S	96.2	Very high	95.6	Very high	37 Å²	37	53.5 Å²	53.5	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-38.4	173.3	-171.4	0	0	0	0	112.6	K324 P325 L330 I331 N332	K324-S328 PolarHBondContact O-N 3.46Å; P325-S328 WeakPolarHBondContact O-CB 3.4Å; P325-S328 PolarHBondContact O-N 3Å; P325-S328 VanDerWaalsContact O-N 3.13Å; S328-L330 PolarHBondContact O-N 3.32Å; S328-I331 PolarHBondContact O-N 3.46Å; S328-N332 WeakPolarHBondContact O-CB 3.36Å; S328-N332 PolarHBondContact O-N 3.45Å; S328-N332 PolarHBondContact O-ND2 2.89Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å; S328-N332 PolarHBondContact OG-ND2 3.45Å
329	E	95.6	Very high	95.2	Very high	133 Å²	133	55.3 Å²	55.3	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-60.3	-43.5	174.7	-71.5	171.6	-170.4	0	0	112.5	P325 F327 N332 A333	P325-E329 PolarHBondContact O-N 2.93Å; F327-E329 VanDerWaalsContact C-N 3.3Å; F327-E329 PolarHBondContact O-N 2.93Å; E329-N332 PolarHBondContact O-N 3.09Å; E329-A333 WeakPolarHBondContact O-CB 3.43Å; E329-A333 PolarHBondContact O-N 3.07Å
330	L	92.5	Very high	94.6	Very high	73 Å²	73	59.4 Å²	59.4	38%	0.382	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.9	-177.8	63.9	0	0	0	112	F327 S328 A333 T334 V465	F327-L330 HydrophobicContact CD2-CD2 4.26Å; F327-L330 HydrophobicContact CE2-CD2 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.11Å; F327-L330 PolarHBondContact O-N 3.33Å; S328-L330 PolarHBondContact O-N 3.32Å; L330-A333 PolarHBondContact O-N 3.1Å; L330-T334 PolarHBondContact O-N 3.36Å; L330-T334 PolarHBondContact O-OG1 3.38Å; L330-V465 HydrophobicContact CD2-CG2 3.8Å; L330-V465 HydrophobicContact CG-CG2 3.91Å
331	I	95.4	Very high	93.9	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.067	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-52.8	173.2	-67.7	161.7	0	0	0	109.5	P323 F327 S328 A333 T334 L335 I468	P323-I331 HydrophobicContact CB-CD1 4.14Å; P323-I331 HydrophobicContact CG-CD1 4.44Å; F327-I331 HydrophobicContact CD1-CD1 3.69Å; F327-I331 HydrophobicContact CD1-CG1 4.41Å; F327-I331 HydrophobicContact CE1-CD1 3.51Å; F327-I331 HydrophobicContact CE1-CG1 4.06Å; F327-I331 HydrophobicContact CG-CD1 4.38Å; F327-I331 HydrophobicContact CZ-CD1 4.06Å; F327-I331 HydrophobicContact CZ-CG1 4.09Å; F327-I331 WeakPolarHBondContact O-CG1 3.34Å; F327-I331 PolarHBondContact O-N 3.2Å; S328-I331 PolarHBondContact O-N 3.46Å; I331-A333 VanDerWaalsContact C-N 3.3Å; I331-A333 PolarHBondContact O-N 2.97Å; I331-T334 PolarHBondContact O-N 3.5Å; I331-L335 HydrophobicContact CG2-CD1 3.74Å; I331-L335 HydrophobicContact CG2-CG 4.04Å; I331-L335 WeakPolarHBondContact O-CG 3.37Å; I331-L335 PolarHBondContact O-N 3.27Å; I331-I468 HydrophobicContact CD1-CD1 3.51Å; I331-I468 HydrophobicContact CG1-CD1 3.96Å; I331-I468 HydrophobicContact CG2-CG2 3.63Å
332	N	95.7	Very high	93.4	Very high	73 Å²	73	65 Å²	65	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-36.4	-176.5	-73.6	-28.6	0	0	0	112.6	S328 E329 T334 L335 K336	S328-N332 WeakPolarHBondContact O-CB 3.36Å; S328-N332 PolarHBondContact O-N 3.45Å; S328-N332 PolarHBondContact O-ND2 2.89Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å; S328-N332 PolarHBondContact OG-ND2 3.45Å; E329-N332 PolarHBondContact O-N 3.09Å; N332-T334 VanDerWaalsContact C-N 3.34Å; N332-L335 PolarHBondContact O-N 2.89Å; N332-K336 WeakPolarHBondContact O-CB 3.5Å; N332-K336 VanDerWaalsContact O-CG 3.24Å; N332-K336 WeakPolarHBondContact O-CG 3.41Å; N332-K336 PolarHBondContact O-N 2.79Å
333	A	94.4	Very high	92.9	Very high	63 Å²	63	65 Å²	65	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-43.8	173.7	0	0	0	0	0	111.5	E329 L330 I331	E329-A333 WeakPolarHBondContact O-CB 3.43Å; E329-A333 PolarHBondContact O-N 3.07Å; L330-A333 PolarHBondContact O-N 3.1Å; I331-A333 VanDerWaalsContact C-N 3.3Å; I331-A333 PolarHBondContact O-N 2.97Å
334	T	94.2	Very high	92.7	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.08	37%	0.37	C	S	.	.	H	α-helix	trans	-67.2	-44.8	176.2	-60.8	0	0	0	0	111.5	L330 I331 N332 K336 S337 F338 Y418 R445 V465 A469	L330-T334 PolarHBondContact O-N 3.36Å; L330-T334 PolarHBondContact O-OG1 3.38Å; I331-T334 PolarHBondContact O-N 3.5Å; N332-T334 VanDerWaalsContact C-N 3.34Å; T334-K336 PolarHBondContact O-N 3.37Å; T334-S337 WeakPolarHBondContact O-CB 3.37Å; T334-S337 PolarHBondContact O-N 2.69Å; T334-S337 VanDerWaalsContact O-N 3.15Å; T334-S337 PolarHBondContact O-OG 3.37Å; T334-F338 WeakPolarHBondContact O-CD1 3.02Å; T334-Y418 HydrophobicContact CG2-CE2 4.04Å; T334-R445 PolarHBondContact OG1-NH1 2.88Å; T334-V465 HydrophobicContact CG2-CG1 3.93Å; T334-V465 WeakPolarHBondContact OG1-CG1 3.26Å; T334-A469 HydrophobicContact CG2-CB 3.98Å
335	L	95.5	Very high	92.7	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-40.6	179.7	-64.8	-177.4	0	0	0	112.4	I331 N332 S337 F338 K339 A469 M472	I331-L335 HydrophobicContact CG2-CD1 3.74Å; I331-L335 HydrophobicContact CG2-CG 4.04Å; I331-L335 WeakPolarHBondContact O-CG 3.37Å; I331-L335 PolarHBondContact O-N 3.27Å; N332-L335 PolarHBondContact O-N 2.89Å; L335-S337 PolarHBondContact O-N 3.32Å; L335-F338 HydrophobicContact CD2-CE1 3.85Å; L335-F338 HydrophobicContact CD2-CZ 3.59Å; L335-F338 PolarHBondContact O-N 3.42Å; L335-K339 VanDerWaalsContact O-CB 3.31Å; L335-K339 WeakPolarHBondContact O-CB 2.78Å; L335-K339 PolarHBondContact O-N 3.09Å; L335-A469 HydrophobicContact CD2-CB 4.47Å; L335-M472 HydrophobicContact CD1-CE 3.79Å; L335-M472 HydrophobicContact CD1-CG 4.17Å; L335-M472 HydrophobicContact CD2-CB 3.5Å; L335-M472 HydrophobicContact CD2-CG 3.8Å
336	K	94.8	Very high	92.7	Very high	153 Å²	153	55.6 Å²	55.6	67%	0.665	33%	0.325	S	S	*	.	H	α-helix	trans	-58	-31.4	176.3	-79.4	175.6	-179.3	-179.4	0	112.6	N332 T334 F338 A340	N332-K336 WeakPolarHBondContact O-CB 3.5Å; N332-K336 VanDerWaalsContact O-CG 3.24Å; N332-K336 WeakPolarHBondContact O-CG 3.41Å; N332-K336 PolarHBondContact O-N 2.79Å; T334-K336 PolarHBondContact O-N 3.37Å; K336-F338 VanDerWaalsContact C-N 3.28Å; K336-F338 PolarHBondContact O-N 3.4Å; K336-A340 VanDerWaalsContact O-CB 3.24Å; K336-A340 WeakPolarHBondContact O-CB 3.13Å; K336-A340 PolarHBondContact O-N 2.75Å
337	S	92	Very high	92.9	Very high	61 Å²	61	47.3 Å²	47.3	43%	0.427	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-34.1	-178	74.1	0	0	0	0	113.6	T334 L335 Y440	T334-S337 WeakPolarHBondContact O-CB 3.37Å; T334-S337 PolarHBondContact O-N 2.69Å; T334-S337 VanDerWaalsContact O-N 3.15Å; T334-S337 PolarHBondContact O-OG 3.37Å; L335-S337 PolarHBondContact O-N 3.32Å; S337-Y440 WeakPolarHBondContact O-CD1 3.47Å; S337-Y440 WeakPolarHBondContact O-CE1 3.42Å
338	F	92	Very high	93	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-118.3	-21.7	-176.1	68.8	-95.3	0	0	0	114.2	T334 L335 K336 V345 Y418 Y440 A469 M472 T473	T334-F338 WeakPolarHBondContact O-CD1 3.02Å; L335-F338 HydrophobicContact CD2-CE1 3.85Å; L335-F338 HydrophobicContact CD2-CZ 3.59Å; L335-F338 PolarHBondContact O-N 3.42Å; K336-F338 VanDerWaalsContact C-N 3.28Å; K336-F338 PolarHBondContact O-N 3.4Å; F338-V345 HydrophobicContact CB-CG2 4.34Å; F338-V345 HydrophobicContact CD2-CB 4.13Å; F338-V345 HydrophobicContact CD2-CG1 4.08Å; F338-V345 HydrophobicContact CD2-CG2 3.96Å; F338-Y418 AromaticContact CD1-CD2 3.62Å; F338-Y418 HydrophobicContact CD1-CD2 3.62Å; F338-Y418 HydrophobicContact CD1-CE2 4.03Å; F338-Y418 AromaticContact CE1-CD2 3.78Å; F338-Y418 HydrophobicContact CE1-CD2 3.78Å; F338-Y418 AromaticContact CE1-CE2 3.97Å; F338-Y418 HydrophobicContact CE1-CE2 3.97Å; F338-Y418 HydrophobicContact CE1-CG 4.49Å; F338-Y418 HydrophobicContact CG-CD2 4.29Å; F338-Y440 HydrophobicContact CB-CD1 3.82Å; F338-Y440 HydrophobicContact CB-CD2 3.47Å; F338-Y440 VanDerWaalsContact CB-CD2 3.47Å; F338-Y440 HydrophobicContact CB-CE1 4.12Å; F338-Y440 HydrophobicContact CB-CE2 3.77Å; F338-Y440 HydrophobicContact CB-CG 3.49Å; F338-Y440 VanDerWaalsContact CB-CG 3.49Å; F338-A469 HydrophobicContact CE1-CB 4.03Å; F338-A469 HydrophobicContact CZ-CB 4.35Å; F338-A469 WeakPolarHBondContact CZ-O 3.43Å; F338-M472 HydrophobicContact CZ-CB 4.35Å; F338-T473 HydrophobicContact CE2-CG2 4.16Å; F338-T473 HydrophobicContact CZ-CG2 4.46Å
339	K	89.7	Confident	93.1	Very high	65 Å²	65	45.8 Å²	45.8	28%	0.283	28%	0.278	S	S	.	.	H	α-helix	trans	-83	-17.7	177.4	-69.3	-160.4	165.5	-166.5	0	114.4	L335 S341 G342 M472 E498	L335-K339 VanDerWaalsContact O-CB 3.31Å; L335-K339 WeakPolarHBondContact O-CB 2.78Å; L335-K339 PolarHBondContact O-N 3.09Å; K339-S341 VanDerWaalsContact C-N 3.25Å; K339-S341 PolarHBondContact O-N 2.71Å; K339-G342 PolarHBondContact O-N 3.39Å; K339-G342 VanDerWaalsContact O-N 3.17Å; K339-M472 WeakPolarHBondContact CE-O 3.49Å; K339-M472 VanDerWaalsContact NZ-CE 3.33Å; K339-M472 PolarHBondContact NZ-O 3.19Å; K339-M472 VanDerWaalsContact NZ-O 3.09Å; K339-E498 IonicContact NZ-OE2 3.31Å
340	A	86.3	Confident	93	Very high	88 Å²	88	39.4 Å²	39.4	73%	0.727	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.4	-172.3	0	0	0	0	0	114.3	K336 G342	K336-A340 VanDerWaalsContact O-CB 3.24Å; K336-A340 WeakPolarHBondContact O-CB 3.13Å; K336-A340 PolarHBondContact O-N 2.75Å; A340-G342 VanDerWaalsContact C-N 3.35Å
341	S	82.5	Confident	92.7	Very high	60 Å²	60	37.8 Å²	37.8	42%	0.42	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.8	179.7	74.7	0	0	0	0	113.8	K339 D343	K339-S341 VanDerWaalsContact C-N 3.25Å; K339-S341 PolarHBondContact O-N 2.71Å; S341-D343 VanDerWaalsContact CB-OD2 3.32Å; S341-D343 WeakPolarHBondContact CB-OD2 3.5Å; S341-D343 PolarHBondContact O-N 3.21Å; S341-D343 WeakPolarHBondContact OG-CB 3.42Å; S341-D343 PolarHBondContact OG-N 3.15Å; S341-D343 PolarHBondContact OG-OD2 3.48Å
342	G	85.4	Confident	92.2	Very high	71 Å²	71	38.1 Å²	38.1	73%	0.732	24%	0.237	S	C	*	.			trans	69.7	1.7	-170.4	0	0	0	0	0	114.4	K339 A340	K339-G342 PolarHBondContact O-N 3.39Å; K339-G342 VanDerWaalsContact O-N 3.17Å; A340-G342 VanDerWaalsContact C-N 3.35Å
343	D	88.3	Confident	91.4	Very high	45 Å²	45	36.2 Å²	36.2	24%	0.241	23%	0.228	C	C	.	.			trans	-73.5	146.8	173.8	-63.3	-58.4	0	0	0	110.4	S341 V345	S341-D343 VanDerWaalsContact CB-OD2 3.32Å; S341-D343 WeakPolarHBondContact CB-OD2 3.5Å; S341-D343 PolarHBondContact O-N 3.21Å; S341-D343 WeakPolarHBondContact OG-CB 3.42Å; S341-D343 PolarHBondContact OG-N 3.15Å; S341-D343 PolarHBondContact OG-OD2 3.48Å; D343-V345 PolarHBondContact O-N 3.43Å
344	P	92.9	Very high	90.3	Very high	21 Å²	21	34.8 Å²	34.8	14%	0.136	21%	0.212	C	C	.	.			trans	-64	133	176.4	24	-31.7	0	0	0	111.6	F375 F376 A413 D474	P344-F375 HydrophobicContact CB-CE1 4.37Å; P344-F376 HydrophobicContact CG-CE1 4.15Å; P344-A413 HydrophobicContact CG-CB 4.05Å; P344-D474 VanDerWaalsContact CA-OD2 3.27Å; P344-D474 WeakPolarHBondContact CA-OD2 3.13Å; P344-D474 HydrophobicContact CB-CB 4.37Å
345	V	95.9	Very high	89	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.7	179.4	-175	0	0	0	0	109.8	F338 D343 Y440 T473 D474	F338-V345 HydrophobicContact CB-CG2 4.34Å; F338-V345 HydrophobicContact CD2-CB 4.13Å; F338-V345 HydrophobicContact CD2-CG1 4.08Å; F338-V345 HydrophobicContact CD2-CG2 3.96Å; D343-V345 PolarHBondContact O-N 3.43Å; V345-Y440 HydrophobicContact CG1-CD2 4.36Å; V345-Y440 HydrophobicContact CG2-CE2 4.44Å; V345-T473 HydrophobicContact CG1-CG2 4.31Å; V345-T473 WeakPolarHBondContact O-CB 3.26Å; V345-D474 PolarHBondContact N-OD2 3.43Å; V345-D474 PolarHBondContact O-N 3.36Å
346	V	97.9	Very high	87.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	122	172.5	-176	0	0	0	0	109.6	V348 V372 F375 F376 S416 V417 Y418 F475 V477	V346-V348 HydrophobicContact CG1-CG2 4.3Å; V346-V372 HydrophobicContact CB-CG1 4.19Å; V346-V372 HydrophobicContact CB-CG2 4.41Å; V346-V372 HydrophobicContact CG1-CB 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.42Å; V346-V372 HydrophobicContact CG1-CG2 3.83Å; V346-V372 HydrophobicContact CG2-CG1 4.19Å; V346-F375 HydrophobicContact CG2-CD1 3.23Å; V346-F375 HydrophobicContact CG2-CE1 3.51Å; V346-F375 HydrophobicContact CG2-CG 4.05Å; V346-F376 HydrophobicContact CG2-CD2 4.38Å; V346-F376 HydrophobicContact CG2-CE2 3.61Å; V346-F376 HydrophobicContact CG2-CZ 3.8Å; V346-S416 PolarHBondContact N-O 2.77Å; V346-V417 CarbonylContact O-C 3.43Å; V346-V417 VanDerWaalsContact O-CA 3.27Å; V346-V417 WeakPolarHBondContact O-CA 3.48Å; V346-Y418 PolarHBondContact O-N 3.48Å; V346-F475 CarbonylContact C-O 3.49Å; V346-F475 WeakPolarHBondContact CA-O 3.49Å; V346-F475 HydrophobicContact CG1-CB 4.35Å; V346-F475 HydrophobicContact CG1-CD1 4.12Å; V346-F475 WeakPolarHBondContact CG1-O 3.4Å; V346-F475 HydrophobicContact CG2-CB 4.3Å; V346-V477 HydrophobicContact CG1-CG2 3.8Å
347	G	98.2	Very high	86.1	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128	169.7	0	0	0	0	0	110.4	Y418 T473 F475 L476 V477	G347-Y418 CarbonylContact C-O 3.44Å; G347-Y418 WeakPolarHBondContact CA-O 3.12Å; G347-T473 WeakPolarHBondContact CA-OG1 3.4Å; G347-T473 PolarHBondContact N-OG1 3.23Å; G347-F475 PolarHBondContact N-O 2.94Å; G347-L476 CarbonylContact O-C 3.47Å; G347-L476 WeakPolarHBondContact O-CA 3.06Å; G347-V477 PolarHBondContact O-N 3.42Å
348	V	98.3	Very high	84.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.7	176.9	175.8	0	0	0	0	108.3	V346 I350 Y368 V372 V417 Y418 L419 A420 V477	V346-V348 HydrophobicContact CG1-CG2 4.3Å; V348-I350 HydrophobicContact CG1-CD1 3.87Å; V348-I350 HydrophobicContact CG1-CG1 3.86Å; V348-Y368 HydrophobicContact CG1-CD1 4.04Å; V348-Y368 HydrophobicContact CG1-CG 4.25Å; V348-V372 HydrophobicContact CG2-CG2 3.56Å; V348-V417 HydrophobicContact CB-CG1 3.95Å; V348-V417 HydrophobicContact CG2-CG1 3.59Å; V348-Y418 PolarHBondContact N-O 2.86Å; V348-L419 HydrophobicContact CB-CD1 4.27Å; V348-L419 HydrophobicContact CG1-CD1 3.97Å; V348-L419 WeakPolarHBondContact O-CA 3.37Å; V348-A420 PolarHBondContact O-N 3.16Å; V348-V477 VanDerWaalsContact CA-O 3.32Å; V348-V477 WeakPolarHBondContact CA-O 3.41Å; V348-V477 HydrophobicContact CG2-CB 4.4Å
349	H	97	Very high	83.1	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114	176.1	172.1	-95.7	0	0	0	111	Y368 A420 L470 V477 C478 S482 I484	H349-Y368 WeakPolarHBondContact O-CE1 3.41Å; H349-A420 VanDerWaalsContact CA-O 3.31Å; H349-A420 WeakPolarHBondContact CA-O 2.98Å; H349-L470 HydrophobicContact CB-CD1 3.82Å; H349-L470 HydrophobicContact CB-CD2 4.22Å; H349-V477 PolarHBondContact N-O 2.83Å; H349-C478 HydrophobicContact CB-CB 3.86Å; H349-C478 WeakPolarHBondContact O-CA 3.42Å; H349-S482 PolarHBondContact CE1-OG 3.35Å; H349-S482 VanDerWaalsContact CE1-OG 3.28Å; H349-I484 WeakPolarHBondContact NE2-CG2 3.49Å
350	I	94.5	Very high	81.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.8	-178.5	-64	173.7	0	0	0	108.6	V348 R352 L365 Y368 L419 A420 T421 V426	V348-I350 HydrophobicContact CG1-CD1 3.87Å; V348-I350 HydrophobicContact CG1-CG1 3.86Å; I350-R352 HydrophobicContact CG2-CG 4.02Å; I350-L365 HydrophobicContact CD1-CD1 3.5Å; I350-Y368 HydrophobicContact CD1-CD1 4.45Å; I350-Y368 HydrophobicContact CD1-CD2 3.96Å; I350-Y368 HydrophobicContact CD1-CE2 4.25Å; I350-Y368 HydrophobicContact CD1-CG 4.09Å; I350-Y368 HydrophobicContact CG1-CD1 3.83Å; I350-Y368 HydrophobicContact CG1-CD2 3.93Å; I350-Y368 HydrophobicContact CG1-CE1 3.75Å; I350-Y368 HydrophobicContact CG1-CE2 3.85Å; I350-Y368 HydrophobicContact CG1-CG 3.95Å; I350-Y368 HydrophobicContact CG2-CE2 4.45Å; I350-L419 HydrophobicContact CD1-CD1 4.01Å; I350-L419 HydrophobicContact CG1-CD1 4.38Å; I350-A420 PolarHBondContact N-O 3Å; I350-T421 VanDerWaalsContact O-CA 3.27Å; I350-T421 WeakPolarHBondContact O-CA 3.46Å; I350-T421 VanDerWaalsContact O-CB 3.3Å; I350-T421 WeakPolarHBondContact O-CB 3.43Å; I350-T421 PolarHBondContact O-OG1 2.83Å; I350-V426 HydrophobicContact CD1-CG1 3.79Å; I350-V426 HydrophobicContact CG2-CG2 4.43Å
351	R	86.3	Confident	81.5	Confident	39 Å²	39	45.6 Å²	45.6	15%	0.147	25%	0.252	C	S	.	.			trans	-96.1	121.7	175.1	-171.2	72.4	170.9	74.5	6.8	110.1	T353 D354 K355 D422 R454	R351-T353 PolarHBondContact NH1-OG1 3.49Å; R351-D354 IonicContact CZ-OD1 2.68Å; R351-D354 IonicContact CZ-OD2 3.41Å; R351-D354 IonicContact NH1-OD1 2.75Å; R351-D354 PolarHBondContact NH1-OD1 2.85Å; R351-D354 IonicContact NH1-OD2 3.64Å; R351-D354 VanDerWaalsContact NH2-CG 3.35Å; R351-D354 IonicContact NH2-OD1 3.26Å; R351-D354 PolarHBondContact NH2-OD1 2.88Å; R351-D354 IonicContact NH2-OD2 3.22Å; R351-D354 PolarHBondContact NH2-OD2 2.97Å; R351-K355 HydrophobicContact CG-CB 3.64Å; R351-K355 HydrophobicContact CG-CD 4.2Å; R351-K355 HydrophobicContact CG-CG 3.78Å; R351-D422 VanDerWaalsContact CD-OD2 3.27Å; R351-D422 WeakPolarHBondContact CD-OD2 3.23Å; R351-D422 IonicContact CZ-OD2 3.56Å; R351-D422 IonicContact NE-OD2 3.01Å; R351-D422 IonicContact NH1-OD2 3.83Å; R351-D422 PolarHBondContact NH1-OD2 2.97Å; R351-R454 VanDerWaalsContact NH2-NH1 3.18Å
352	R	84.3	Confident	81.6	Confident	19 Å²	19	47.3 Å²	47.3	7%	0.072	25%	0.252	C	S	.	.			trans	-120.7	-124.2	177.5	-69.4	-174.9	175	177.9	4.2	109.8	I350 K355 I356 F362 D422 D423	I350-R352 HydrophobicContact CG2-CG 4.02Å; R352-K355 VanDerWaalsContact O-CB 3.27Å; R352-K355 WeakPolarHBondContact O-CB 3.07Å; R352-K355 PolarHBondContact O-N 2.71Å; R352-K355 VanDerWaalsContact O-N 3.08Å; R352-I356 VanDerWaalsContact CA-CD1 3.44Å; R352-I356 HydrophobicContact CB-CD1 3.54Å; R352-I356 HydrophobicContact CB-CG1 4.4Å; R352-I356 HydrophobicContact CG-CD1 3.96Å; R352-F362 HydrophobicContact CG-CE2 4.47Å; R352-D422 VanDerWaalsContact N-CG 3.33Å; R352-D422 PolarHBondContact N-OD1 2.67Å; R352-D422 PolarHBondContact N-OD2 3.12Å; R352-D423 HydrophobicContact CB-CB 4.17Å; R352-D423 WeakPolarHBondContact CD-OD2 3.47Å; R352-D423 HydrophobicContact CG-CB 4.42Å; R352-D423 IonicContact CZ-OD2 3.91Å; R352-D423 IonicContact NE-OD2 3.73Å; R352-D423 IonicContact NH1-OD2 3.78Å; R352-D423 PolarHBondContact NH1-OD2 3.34Å
353	T	78.3	Confident	81.7	Confident	33 Å²	33	45.1 Å²	45.1	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	37.2	-135.6	-179.2	70.2	0	0	0	0	114.5	R351 K355 I356 D422 R454	R351-T353 PolarHBondContact NH1-OG1 3.49Å; T353-K355 PolarHBondContact O-N 2.93Å; T353-K355 VanDerWaalsContact O-N 3.12Å; T353-I356 PolarHBondContact O-N 2.81Å; T353-D422 HydrophobicContact CG2-CB 4.2Å; T353-D422 PolarHBondContact OG1-OD2 3.36Å; T353-R454 PolarHBondContact OG1-NH2 3.25Å
354	D	72.1	Confident	81.8	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-44.8	-33.5	173	55.5	-50.3	0	0	0	115.7	R351 I356 I357 L358 M451 R454	R351-D354 IonicContact CZ-OD1 2.68Å; R351-D354 IonicContact CZ-OD2 3.41Å; R351-D354 IonicContact NH1-OD1 2.75Å; R351-D354 PolarHBondContact NH1-OD1 2.85Å; R351-D354 IonicContact NH1-OD2 3.64Å; R351-D354 VanDerWaalsContact NH2-CG 3.35Å; R351-D354 IonicContact NH2-OD1 3.26Å; R351-D354 PolarHBondContact NH2-OD1 2.88Å; R351-D354 IonicContact NH2-OD2 3.22Å; R351-D354 PolarHBondContact NH2-OD2 2.97Å; D354-I356 PolarHBondContact O-N 3.4Å; D354-I357 WeakPolarHBondContact O-CB 3.18Å; D354-I357 PolarHBondContact O-N 3.2Å; D354-L358 PolarHBondContact O-N 3.14Å; D354-M451 HydrophobicContact CB-CG 4.47Å; D354-M451 HydrophobicContact CB-SD 3.66Å; D354-R454 IonicContact OD1-CZ 3.65Å; D354-R454 IonicContact OD1-NH1 3.13Å; D354-R454 PolarHBondContact OD1-NH1 3.22Å; D354-R454 IonicContact OD1-NH2 2.9Å; D354-R454 PolarHBondContact OD1-NH2 2.8Å; D354-R454 VanDerWaalsContact OD1-NH2 3.09Å; D354-R454 IonicContact OD2-NH1 3.26Å; D354-R454 PolarHBondContact OD2-NH1 2.6Å
355	K	67.2	Low	81.8	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-34.6	-175.3	-161.1	88.1	175.7	-178.1	0	111	R351 R352 T353 I357 L358 E359 A360 S481	R351-K355 HydrophobicContact CG-CB 3.64Å; R351-K355 HydrophobicContact CG-CD 4.2Å; R351-K355 HydrophobicContact CG-CG 3.78Å; R352-K355 VanDerWaalsContact O-CB 3.27Å; R352-K355 WeakPolarHBondContact O-CB 3.07Å; R352-K355 PolarHBondContact O-N 2.71Å; R352-K355 VanDerWaalsContact O-N 3.08Å; T353-K355 PolarHBondContact O-N 2.93Å; T353-K355 VanDerWaalsContact O-N 3.12Å; K355-I357 PolarHBondContact O-N 3.44Å; K355-L358 PolarHBondContact O-N 2.64Å; K355-E359 HydrophobicContact CD-CB 3.85Å; K355-E359 WeakPolarHBondContact CD-OE2 3.43Å; K355-E359 WeakPolarHBondContact CE-OE2 3.16Å; K355-E359 HydrophobicContact CG-CB 4.15Å; K355-E359 IonicContact NZ-OE2 3.76Å; K355-E359 PolarHBondContact NZ-OE2 3.45Å; K355-E359 PolarHBondContact O-N 2.99Å; K355-A360 HydrophobicContact CG-CB 3.75Å; K355-A360 PolarHBondContact O-N 3.49Å; K355-S481 WeakPolarHBondContact CE-O 3.47Å; K355-S481 PolarHBondContact NZ-O 3.11Å
356	I	68.2	Low	81.7	Confident	62 Å²	62	49 Å²	49	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-30.3	176.6	-60.9	159.4	0	0	0	111.3	R352 T353 D354 A360 F362	R352-I356 VanDerWaalsContact CA-CD1 3.44Å; R352-I356 HydrophobicContact CB-CD1 3.54Å; R352-I356 HydrophobicContact CB-CG1 4.4Å; R352-I356 HydrophobicContact CG-CD1 3.96Å; T353-I356 PolarHBondContact O-N 2.81Å; D354-I356 PolarHBondContact O-N 3.4Å; I356-A360 CarbonylContact C-O 3.54Å; I356-A360 WeakPolarHBondContact CA-O 3.34Å; I356-F362 HydrophobicContact CD1-CD2 3.72Å; I356-F362 HydrophobicContact CG1-CB 4.42Å; I356-F362 HydrophobicContact CG1-CD2 4.46Å; I356-F362 HydrophobicContact CG2-CB 4.09Å
357	I	61.5	Low	81.5	Confident	135 Å²	135	52.2 Å²	52.2	69%	0.692	26%	0.263	S	S	*	.	H	α-helix	trans	-79.4	-38.8	-175.7	-56.6	176.1	0	0	0	110.6	D354 K355	D354-I357 WeakPolarHBondContact O-CB 3.18Å; D354-I357 PolarHBondContact O-N 3.2Å; K355-I357 PolarHBondContact O-N 3.44Å
358	L	60.5	Low	81.4	Confident	137 Å²	137	52.4 Å²	52.4	72%	0.717	26%	0.264	S	S	*	.	H	α-helix	trans	-115.5	-32.5	-165.2	-63.4	174.6	0	0	0	115	D354 K355	D354-L358 PolarHBondContact O-N 3.14Å; K355-L358 PolarHBondContact O-N 2.64Å
359	E	60.2	Low	81.3	Confident	88 Å²	88	52.4 Å²	52.4	41%	0.411	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-21.4	-160	-66.7	177.3	-151.5	0	0	115	K355	K355-E359 HydrophobicContact CD-CB 3.85Å; K355-E359 WeakPolarHBondContact CD-OE2 3.43Å; K355-E359 WeakPolarHBondContact CE-OE2 3.16Å; K355-E359 HydrophobicContact CG-CB 4.15Å; K355-E359 IonicContact NZ-OE2 3.76Å; K355-E359 PolarHBondContact NZ-OE2 3.45Å; K355-E359 PolarHBondContact O-N 2.99Å
360	A	65.2	Low	81.2	Confident	22 Å²	22	58.1 Å²	58.1	18%	0.182	29%	0.289	C	S	.	.			trans	-145.5	164.6	-174	0	0	0	0	0	112.7	K355 I356	K355-A360 HydrophobicContact CG-CB 3.75Å; K355-A360 PolarHBondContact O-N 3.49Å; I356-A360 CarbonylContact C-O 3.54Å; I356-A360 WeakPolarHBondContact CA-O 3.34Å
361	K	77.2	Confident	81.2	Confident	170 Å²	170	59.7 Å²	59.7	74%	0.739	30%	0.296	S	S	*	.			trans	-88	150.6	173.9	-66.5	179.5	-178.1	176.1	0	110.3	H363	K361-H363 PolarHBondContact O-CD2 2.88Å; K361-H363 PolarHBondContact O-N 3.5Å
362	F	84.3	Confident	81.7	Confident	96 Å²	96	57.9 Å²	57.9	42%	0.421	29%	0.289	S	S	.	.			trans	-66.4	130	166.6	-179.4	-88.9	0	0	0	109.8	R352 I356 N364	R352-F362 HydrophobicContact CG-CE2 4.47Å; I356-F362 HydrophobicContact CD1-CD2 3.72Å; I356-F362 HydrophobicContact CG1-CB 4.42Å; I356-F362 HydrophobicContact CG1-CD2 4.46Å; I356-F362 HydrophobicContact CG2-CB 4.09Å; F362-N364 WeakPolarHBondContact CE1-OD1 3.23Å
363	H	86.6	Confident	82.2	Confident	25 Å²	25	58.9 Å²	58.9	12%	0.116	30%	0.296	C	S	.	.			trans	-119.7	132.2	173.8	-71.9	-82	0	0	0	109.8	K361 E367 Y368 I509	K361-H363 PolarHBondContact O-CD2 2.88Å; K361-H363 PolarHBondContact O-N 3.5Å; H363-E367 IonicContact CE1-OE2 3.39Å; H363-E367 IonicContact CG-OE2 3.84Å; H363-E367 IonicContact ND1-OE2 2.84Å; H363-E367 PolarHBondContact ND1-OE2 3.31Å; H363-Y368 HydrophobicContact CB-CE2 3.59Å; H363-I509 WeakPolarHBondContact ND1-CG2 3.43Å
364	N	90.4	Very high	82.8	Confident	74 Å²	74	62.1 Å²	62.1	40%	0.396	31%	0.307	S	S	.	.			trans	-70.3	147.7	179.3	-84.4	-59	0	0	0	111.2	F362 S366 E367 Y368	F362-N364 WeakPolarHBondContact CE1-OD1 3.23Å; N364-S366 PolarHBondContact O-N 3.33Å; N364-S366 VanDerWaalsContact O-N 3.1Å; N364-E367 HydrophobicContact CB-CG 4.5Å; N364-E367 PolarHBondContact N-OE1 3.25Å; N364-E367 VanDerWaalsContact N-OE1 3.08Å; N364-E367 WeakPolarHBondContact O-CB 3.33Å; N364-E367 PolarHBondContact O-N 2.91Å; N364-Y368 WeakPolarHBondContact O-CD2 3.32Å
365	L	93.2	Very high	83.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-52	-37.2	175.7	174.7	61.3	0	0	0	112.1	I350 E367 Y368 M369 V426 Q429 F430	I350-L365 HydrophobicContact CD1-CD1 3.5Å; L365-E367 PolarHBondContact O-N 3.04Å; L365-Y368 PolarHBondContact O-N 3.21Å; L365-Y368 VanDerWaalsContact O-N 3.15Å; L365-M369 HydrophobicContact CD1-CG 3.85Å; L365-M369 HydrophobicContact CD1-SD 4.44Å; L365-M369 HydrophobicContact CG-CG 4Å; L365-M369 WeakPolarHBondContact O-CG 3.15Å; L365-M369 PolarHBondContact O-N 2.62Å; L365-V426 HydrophobicContact CD1-CG1 4.27Å; L365-Q429 HydrophobicContact CD2-CB 4.4Å; L365-Q429 HydrophobicContact CD2-CG 4.02Å; L365-F430 HydrophobicContact CD1-CD2 4.15Å; L365-F430 HydrophobicContact CD2-CB 3.9Å; L365-F430 HydrophobicContact CD2-CD2 4.23Å; L365-F430 HydrophobicContact CD2-CG 4.45Å
366	S	94.1	Very high	85	Confident	74 Å²	74	61.5 Å²	61.5	52%	0.517	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-29.2	178.2	56.4	0	0	0	0	113.8	N364 K370	N364-S366 PolarHBondContact O-N 3.33Å; N364-S366 VanDerWaalsContact O-N 3.1Å; S366-K370 WeakPolarHBondContact O-CB 3.03Å; S366-K370 PolarHBondContact O-N 3.12Å
367	E	93.9	Very high	86	Confident	69 Å²	69	62.5 Å²	62.5	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-42.6	176.4	-66.6	172.7	-127.1	0	0	111.3	H363 N364 L365 I509	H363-E367 IonicContact CE1-OE2 3.39Å; H363-E367 IonicContact CG-OE2 3.84Å; H363-E367 IonicContact ND1-OE2 2.84Å; H363-E367 PolarHBondContact ND1-OE2 3.31Å; N364-E367 HydrophobicContact CB-CG 4.5Å; N364-E367 PolarHBondContact N-OE1 3.25Å; N364-E367 VanDerWaalsContact N-OE1 3.08Å; N364-E367 WeakPolarHBondContact O-CB 3.33Å; N364-E367 PolarHBondContact O-N 2.91Å; L365-E367 PolarHBondContact O-N 3.04Å; E367-I509 HydrophobicContact CB-CD1 4.15Å; E367-I509 HydrophobicContact CB-CG2 4.29Å
368	Y	96.7	Very high	87.2	Confident	3 Å²	3	60 Å²	60	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-49.1	174.3	-60.3	-100.6	0	0	0	110.2	V348 H349 I350 H363 N364 L365 K370 Q371 V372 V477 T479 I509	V348-Y368 HydrophobicContact CG1-CD1 4.04Å; V348-Y368 HydrophobicContact CG1-CG 4.25Å; H349-Y368 WeakPolarHBondContact O-CE1 3.41Å; I350-Y368 HydrophobicContact CD1-CD1 4.45Å; I350-Y368 HydrophobicContact CD1-CD2 3.96Å; I350-Y368 HydrophobicContact CD1-CE2 4.25Å; I350-Y368 HydrophobicContact CD1-CG 4.09Å; I350-Y368 HydrophobicContact CG1-CD1 3.83Å; I350-Y368 HydrophobicContact CG1-CD2 3.93Å; I350-Y368 HydrophobicContact CG1-CE1 3.75Å; I350-Y368 HydrophobicContact CG1-CE2 3.85Å; I350-Y368 HydrophobicContact CG1-CG 3.95Å; I350-Y368 HydrophobicContact CG2-CE2 4.45Å; H363-Y368 HydrophobicContact CB-CE2 3.59Å; N364-Y368 WeakPolarHBondContact O-CD2 3.32Å; L365-Y368 PolarHBondContact O-N 3.21Å; L365-Y368 VanDerWaalsContact O-N 3.15Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.49Å; Y368-Q371 PolarHBondContact O-N 3.42Å; Y368-V372 PolarHBondContact O-N 3.23Å; Y368-V372 VanDerWaalsContact O-N 3.1Å; Y368-V477 HydrophobicContact CD1-CG1 4.07Å; Y368-T479 WeakPolarHBondContact OH-CG2 3.31Å; Y368-I509 HydrophobicContact CD1-CD1 3.26Å; Y368-I509 HydrophobicContact CD1-CG1 4.4Å; Y368-I509 HydrophobicContact CD2-CD1 3.57Å; Y368-I509 HydrophobicContact CE1-CD1 3.46Å; Y368-I509 VanDerWaalsContact CE1-CD1 3.46Å; Y368-I509 HydrophobicContact CE1-CG1 4.44Å; Y368-I509 HydrophobicContact CE2-CD1 3.76Å; Y368-I509 HydrophobicContact CG-CD1 3.29Å
369	M	96.6	Very high	88.4	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-30.9	-175.7	-67.3	-54.6	-62.1	0	0	113.3	L365 Q371 V372 D373 V417 F430 H434	L365-M369 HydrophobicContact CD1-CG 3.85Å; L365-M369 HydrophobicContact CD1-SD 4.44Å; L365-M369 HydrophobicContact CG-CG 4Å; L365-M369 WeakPolarHBondContact O-CG 3.15Å; L365-M369 PolarHBondContact O-N 2.62Å; M369-Q371 PolarHBondContact O-N 2.86Å; M369-V372 HydrophobicContact CE-CB 4.18Å; M369-V372 HydrophobicContact CE-CG1 4.02Å; M369-V372 HydrophobicContact CE-CG2 4.44Å; M369-V372 WeakPolarHBondContact O-CB 3.47Å; M369-V372 PolarHBondContact O-N 3.04Å; M369-V372 HydrophobicContact SD-CB 4.23Å; M369-V372 HydrophobicContact SD-CG1 4.5Å; M369-V372 HydrophobicContact SD-CG2 3.87Å; M369-D373 WeakPolarHBondContact O-CB 3.36Å; M369-D373 PolarHBondContact O-N 3.23Å; M369-V417 HydrophobicContact CE-CG2 4.24Å; M369-F430 HydrophobicContact CE-CE2 3.68Å; M369-F430 HydrophobicContact CE-CZ 3.84Å; M369-F430 HydrophobicContact CG-CE2 4.5Å; M369-F430 HydrophobicContact SD-CD2 4.12Å; M369-F430 HydrophobicContact SD-CE2 3.4Å; M369-F430 WeakPolarHBondContact SD-CE2 3.41Å; M369-F430 HydrophobicContact SD-CZ 4.19Å; M369-H434 VanDerWaalsContact CB-CE1 3.47Å; M369-H434 WeakPolarHBondContact CB-CE1 3.42Å; M369-H434 HydrophobicContact CE-CB 4.32Å; M369-H434 WeakPolarHBondContact CG-NE2 3.49Å
370	K	94.5	Very high	89.5	Confident	129 Å²	129	54.4 Å²	54.4	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-56.4	-36.5	170.3	-177.4	179.2	-178.4	-179.2	0	112.5	S366 Y368 K374	S366-K370 WeakPolarHBondContact O-CB 3.03Å; S366-K370 PolarHBondContact O-N 3.12Å; Y368-K370 VanDerWaalsContact C-N 3.29Å; Y368-K370 PolarHBondContact O-N 3.49Å; K370-K374 VanDerWaalsContact O-CG 3.3Å; K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.41Å
371	Q	94.9	Very high	90.4	Very high	33 Å²	33	54.2 Å²	54.2	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-81.7	-35.4	179.9	-49.9	-65.3	-4.7	0	0	111.4	Y368 M369 D373 K374 F375 V477 H507	Y368-Q371 PolarHBondContact O-N 3.42Å; M369-Q371 PolarHBondContact O-N 2.86Å; Q371-D373 VanDerWaalsContact C-N 3.33Å; Q371-D373 PolarHBondContact O-N 3.15Å; Q371-K374 PolarHBondContact O-N 2.82Å; Q371-K374 VanDerWaalsContact OE1-CD 3.31Å; Q371-F375 PolarHBondContact O-N 3.37Å; Q371-V477 HydrophobicContact CB-CG1 3.96Å; Q371-V477 HydrophobicContact CB-CG2 4.09Å; Q371-V477 HydrophobicContact CG-CG1 4.39Å; Q371-H507 VanDerWaalsContact CD-NE2 3.32Å; Q371-H507 VanDerWaalsContact CG-CD2 3.46Å; Q371-H507 WeakPolarHBondContact CG-CD2 3.29Å; Q371-H507 PolarHBondContact NE2-NE2 3.37Å
372	V	96.3	Very high	90.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-49.3	169.6	176.1	0	0	0	0	110.3	V346 V348 Y368 M369 F375 F376 V417 V477	V346-V372 HydrophobicContact CB-CG1 4.19Å; V346-V372 HydrophobicContact CB-CG2 4.41Å; V346-V372 HydrophobicContact CG1-CB 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.42Å; V346-V372 HydrophobicContact CG1-CG2 3.83Å; V346-V372 HydrophobicContact CG2-CG1 4.19Å; V348-V372 HydrophobicContact CG2-CG2 3.56Å; Y368-V372 PolarHBondContact O-N 3.23Å; Y368-V372 VanDerWaalsContact O-N 3.1Å; M369-V372 HydrophobicContact CE-CB 4.18Å; M369-V372 HydrophobicContact CE-CG1 4.02Å; M369-V372 HydrophobicContact CE-CG2 4.44Å; M369-V372 WeakPolarHBondContact O-CB 3.47Å; M369-V372 PolarHBondContact O-N 3.04Å; M369-V372 HydrophobicContact SD-CB 4.23Å; M369-V372 HydrophobicContact SD-CG1 4.5Å; M369-V372 HydrophobicContact SD-CG2 3.87Å; V372-F375 WeakPolarHBondContact O-CB 3.39Å; V372-F375 PolarHBondContact O-N 3.49Å; V372-F376 HydrophobicContact CG1-CD2 3.94Å; V372-F376 HydrophobicContact CG1-CE2 3.7Å; V372-F376 VanDerWaalsContact O-CD2 3.27Å; V372-F376 WeakPolarHBondContact O-CD2 3.33Å; V372-F376 PolarHBondContact O-N 3.02Å; V372-V417 HydrophobicContact CG1-CG2 3.72Å; V372-V477 HydrophobicContact CG2-CG2 4.26Å
373	D	94.1	Very high	90.4	Very high	40 Å²	40	48.1 Å²	48.1	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-43	-179	-74.9	-32.7	0	0	0	112	M369 Q371 F375 F376 D377 R415 H437	M369-D373 WeakPolarHBondContact O-CB 3.36Å; M369-D373 PolarHBondContact O-N 3.23Å; Q371-D373 VanDerWaalsContact C-N 3.33Å; Q371-D373 PolarHBondContact O-N 3.15Å; D373-F375 VanDerWaalsContact C-N 3.27Å; D373-F375 PolarHBondContact O-N 3.14Å; D373-F376 PolarHBondContact O-N 3.47Å; D373-D377 WeakPolarHBondContact O-CB 3.34Å; D373-D377 PolarHBondContact O-N 2.88Å; D373-R415 IonicContact OD1-CZ 3.75Å; D373-R415 IonicContact OD1-NH1 3.56Å; D373-R415 PolarHBondContact OD1-NH1 2.95Å; D373-H437 IonicContact OD1-CE1 3.58Å; D373-H437 PolarHBondContact OD1-CE1 3.35Å; D373-H437 VanDerWaalsContact OD1-CE1 3.26Å; D373-H437 IonicContact OD1-NE2 3.95Å; D373-H437 PolarHBondContact OD1-NE2 2.92Å
374	K	90.8	Very high	90	Very high	102 Å²	102	52.1 Å²	52.1	44%	0.443	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-38.7	172.8	-78.4	174.1	-177.4	176.7	0	112.9	K370 Q371 R378	K370-K374 VanDerWaalsContact O-CG 3.3Å; K370-K374 WeakPolarHBondContact O-CG 3.4Å; K370-K374 PolarHBondContact O-N 3.41Å; Q371-K374 PolarHBondContact O-N 2.82Å; Q371-K374 VanDerWaalsContact OE1-CD 3.31Å; K374-R378 VanDerWaalsContact O-CB 3.23Å; K374-R378 WeakPolarHBondContact O-CB 3.45Å; K374-R378 PolarHBondContact O-N 3.37Å
375	F	92.7	Very high	89.3	Confident	29 Å²	29	49.2 Å²	49.2	13%	0.127	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-50.6	177.2	166.9	-98.9	0	0	0	111.1	P344 V346 Q371 V372 D373 D377 R378 Q379 D474 F475	P344-F375 HydrophobicContact CB-CE1 4.37Å; V346-F375 HydrophobicContact CG2-CD1 3.23Å; V346-F375 HydrophobicContact CG2-CE1 3.51Å; V346-F375 HydrophobicContact CG2-CG 4.05Å; Q371-F375 PolarHBondContact O-N 3.37Å; V372-F375 WeakPolarHBondContact O-CB 3.39Å; V372-F375 PolarHBondContact O-N 3.49Å; D373-F375 VanDerWaalsContact C-N 3.27Å; D373-F375 PolarHBondContact O-N 3.14Å; F375-D377 PolarHBondContact O-N 3.38Å; F375-R378 PolarHBondContact O-N 2.89Å; F375-Q379 HydrophobicContact CE1-CG 4.45Å; F375-Q379 HydrophobicContact CE2-CG 4.28Å; F375-Q379 HydrophobicContact CZ-CG 4.19Å; F375-Q379 PolarHBondContact O-N 3.31Å; F375-D474 HydrophobicContact CZ-CB 4.28Å; F375-F475 HydrophobicContact CB-CD1 4.06Å; F375-F475 HydrophobicContact CB-CE1 4.37Å; F375-F475 HydrophobicContact CB-CG 4.46Å; F375-F475 HydrophobicContact CD1-CB 4.34Å; F375-F475 HydrophobicContact CD2-CB 3.63Å; F375-F475 HydrophobicContact CD2-CD1 4Å; F375-F475 AromaticContact CD2-CD2 3.77Å; F375-F475 HydrophobicContact CD2-CD2 3.77Å; F375-F475 HydrophobicContact CD2-CE2 4.44Å; F375-F475 AromaticContact CD2-CG 3.53Å; F375-F475 HydrophobicContact CD2-CG 3.53Å; F375-F475 HydrophobicContact CE1-CB 4.18Å; F375-F475 HydrophobicContact CE2-CB 3.51Å; F375-F475 HydrophobicContact CE2-CD2 4.02Å; F375-F475 AromaticContact CE2-CG 3.87Å; F375-F475 HydrophobicContact CE2-CG 3.87Å; F375-F475 HydrophobicContact CG-CB 4.05Å; F375-F475 HydrophobicContact CG-CD1 4.09Å; F375-F475 HydrophobicContact CG-CG 4.02Å; F375-F475 HydrophobicContact CZ-CB 3.77Å
376	F	92.7	Very high	88.3	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-39.1	177.4	-73.3	-68.5	0	0	0	112.5	P344 V346 V372 D373 R378 Q379 N380 R415 S416	P344-F376 HydrophobicContact CG-CE1 4.15Å; V346-F376 HydrophobicContact CG2-CD2 4.38Å; V346-F376 HydrophobicContact CG2-CE2 3.61Å; V346-F376 HydrophobicContact CG2-CZ 3.8Å; V372-F376 HydrophobicContact CG1-CD2 3.94Å; V372-F376 HydrophobicContact CG1-CE2 3.7Å; V372-F376 VanDerWaalsContact O-CD2 3.27Å; V372-F376 WeakPolarHBondContact O-CD2 3.33Å; V372-F376 PolarHBondContact O-N 3.02Å; D373-F376 PolarHBondContact O-N 3.47Å; F376-R378 VanDerWaalsContact C-N 3.35Å; F376-R378 PolarHBondContact O-N 3.06Å; F376-Q379 PolarHBondContact O-N 2.87Å; F376-N380 VanDerWaalsContact O-CG 3.32Å; F376-N380 PolarHBondContact O-N 3.41Å; F376-N380 PolarHBondContact O-ND2 2.84Å; F376-N380 VanDerWaalsContact O-ND2 3.13Å; F376-R415 HydrophobicContact CB-CG 4.11Å; F376-R415 HydrophobicContact CD1-CG 4.16Å; F376-R415 HydrophobicContact CD2-CB 3.9Å; F376-R415 HydrophobicContact CD2-CG 3.8Å; F376-R415 HydrophobicContact CE2-CB 3.87Å; F376-R415 HydrophobicContact CE2-CG 4.27Å; F376-R415 HydrophobicContact CG-CB 4.28Å; F376-R415 HydrophobicContact CG-CG 3.76Å; F376-R415 HydrophobicContact CZ-CB 4.23Å; F376-S416 VanDerWaalsContact CZ-N 3.32Å; F376-S416 WeakPolarHBondContact CZ-O 2.86Å
377	D	89.5	Confident	87.1	Confident	82 Å²	82	51.6 Å²	51.6	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-62.1	-42.2	175	-68.6	-23.7	0	0	0	111.6	D373 F375 N380 A381 R415	D373-D377 WeakPolarHBondContact O-CB 3.34Å; D373-D377 PolarHBondContact O-N 2.88Å; F375-D377 PolarHBondContact O-N 3.38Å; D377-N380 PolarHBondContact O-N 3.31Å; D377-A381 WeakPolarHBondContact O-CB 3.24Å; D377-A381 PolarHBondContact O-N 2.92Å; D377-R415 IonicContact OD1-CZ 3.71Å; D377-R415 IonicContact OD1-NH1 3.94Å; D377-R415 IonicContact OD1-NH2 3.1Å; D377-R415 PolarHBondContact OD1-NH2 3.28Å
378	R	86.1	Confident	85.4	Confident	83 Å²	83	54.8 Å²	54.8	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-38.8	176.4	-171.9	-179.7	-165.9	-168.1	9.7	112.2	L156 E159 N163 K374 F375 F376 A381 N382	L156-R378 HydrophobicContact CD1-CG 4.02Å; E159-R378 IonicContact OE2-CZ 3.82Å; E159-R378 IonicContact OE2-NE 3.87Å; E159-R378 IonicContact OE2-NH2 3.23Å; E159-R378 PolarHBondContact OE2-NH2 2.74Å; N163-R378 PolarHBondContact ND2-NH2 2.58Å; K374-R378 VanDerWaalsContact O-CB 3.23Å; K374-R378 WeakPolarHBondContact O-CB 3.45Å; K374-R378 PolarHBondContact O-N 3.37Å; F375-R378 PolarHBondContact O-N 2.89Å; F376-R378 VanDerWaalsContact C-N 3.35Å; F376-R378 PolarHBondContact O-N 3.06Å; R378-A381 PolarHBondContact O-N 3.4Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 3.46Å
379	Q	85.4	Confident	83.2	Confident	71 Å²	71	58.7 Å²	58.7	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-46.2	174	-76.2	-155.8	76.3	0	0	111.5	F375 F376 A381 N382 H383	F375-Q379 HydrophobicContact CE1-CG 4.45Å; F375-Q379 HydrophobicContact CE2-CG 4.28Å; F375-Q379 HydrophobicContact CZ-CG 4.19Å; F375-Q379 PolarHBondContact O-N 3.31Å; F376-Q379 PolarHBondContact O-N 2.87Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 2.86Å; Q379-N382 PolarHBondContact O-N 3.48Å; Q379-H383 PolarHBondContact O-N 3.41Å
380	N	84.3	Confident	80.6	Confident	37 Å²	37	65.8 Å²	65.8	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-45	175.2	-69.4	-34.9	0	0	0	111.3	F376 D377 H383 L384	F376-N380 VanDerWaalsContact O-CG 3.32Å; F376-N380 PolarHBondContact O-N 3.41Å; F376-N380 PolarHBondContact O-ND2 2.84Å; F376-N380 VanDerWaalsContact O-ND2 3.13Å; D377-N380 PolarHBondContact O-N 3.31Å; N380-H383 PolarHBondContact O-N 2.97Å; N380-L384 WeakPolarHBondContact O-CG 3.46Å; N380-L384 PolarHBondContact O-N 2.99Å; N380-L384 VanDerWaalsContact O-N 3.07Å
381	A	84.1	Confident	78	Confident	17 Å²	17	65 Å²	65	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-43.1	176.8	0	0	0	0	0	112.2	L156 I160 D377 R378 Q379 H383 L384 V385	L156-A381 HydrophobicContact CD1-CB 4.5Å; L156-A381 HydrophobicContact CD2-CB 3.88Å; L156-A381 HydrophobicContact CG-CB 4.4Å; I160-A381 HydrophobicContact CD1-CB 4.03Å; D377-A381 WeakPolarHBondContact O-CB 3.24Å; D377-A381 PolarHBondContact O-N 2.92Å; R378-A381 PolarHBondContact O-N 3.4Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 2.86Å; A381-H383 VanDerWaalsContact C-N 3.34Å; A381-H383 PolarHBondContact O-N 2.91Å; A381-L384 PolarHBondContact O-N 3.1Å; A381-V385 WeakPolarHBondContact O-CB 3.27Å; A381-V385 VanDerWaalsContact O-CG2 3.25Å; A381-V385 WeakPolarHBondContact O-CG2 3.32Å; A381-V385 PolarHBondContact O-N 1.98Å
382	N	83.2	Confident	75.5	Confident	60 Å²	60	70.2 Å²	70.2	32%	0.321	34%	0.34	S	S	.	.	H	α-helix	trans	-57.1	-48	176.2	-175.3	3.2	0	0	0	111.1	I160 R378 Q379 L384 V385 M386	I160-N382 HydrophobicContact CD1-CB 4.33Å; I160-N382 HydrophobicContact CG1-CB 4.26Å; I160-N382 HydrophobicContact CG2-CB 4.34Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 3.46Å; Q379-N382 PolarHBondContact O-N 3.48Å; N382-L384 PolarHBondContact O-N 3.15Å; N382-V385 PolarHBondContact O-N 3.06Å; N382-M386 WeakPolarHBondContact O-CB 3.14Å; N382-M386 VanDerWaalsContact O-CG 3.26Å; N382-M386 WeakPolarHBondContact O-CG 3.25Å; N382-M386 PolarHBondContact O-N 2.83Å
383	H	77.2	Confident	72.7	Confident	78 Å²	78	77.5 Å²	77.5	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-47.6	176.2	-174	71.4	0	0	0	111.9	Q379 N380 A381 M386 L387	Q379-H383 PolarHBondContact O-N 3.41Å; N380-H383 PolarHBondContact O-N 2.97Å; A381-H383 VanDerWaalsContact C-N 3.34Å; A381-H383 PolarHBondContact O-N 2.91Å; H383-M386 PolarHBondContact O-N 3.08Å; H383-L387 WeakPolarHBondContact NE2-CD1 3.37Å; H383-L387 WeakPolarHBondContact O-CB 3.35Å; H383-L387 WeakPolarHBondContact O-CG 3.19Å; H383-L387 PolarHBondContact O-N 3.17Å
384	L	78.3	Confident	69.8	Low	109 Å²	109	77.5 Å²	77.5	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-64.8	-43.4	179.3	-68.3	172.3	0	0	0	113.3	N380 A381 N382 M386 L387 K388	N380-L384 WeakPolarHBondContact O-CG 3.46Å; N380-L384 PolarHBondContact O-N 2.99Å; N380-L384 VanDerWaalsContact O-N 3.07Å; A381-L384 PolarHBondContact O-N 3.1Å; N382-L384 PolarHBondContact O-N 3.15Å; L384-M386 VanDerWaalsContact C-N 3.27Å; L384-M386 PolarHBondContact O-N 3.13Å; L384-L387 PolarHBondContact O-N 3.1Å; L384-K388 PolarHBondContact O-N 2.85Å
385	V	76	Confident	67.2	Low	14 Å²	14	82.3 Å²	82.3	9%	0.085	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-36.4	178.7	170.6	0	0	0	0	111	H157 I160 A381 N382	H157-V385 VanDerWaalsContact CD2-CG2 3.42Å; H157-V385 WeakPolarHBondContact CD2-CG2 3.48Å; I160-V385 HydrophobicContact CD1-CG2 4.08Å; I160-V385 HydrophobicContact CG2-CB 4.18Å; I160-V385 HydrophobicContact CG2-CG1 3.95Å; A381-V385 WeakPolarHBondContact O-CB 3.27Å; A381-V385 VanDerWaalsContact O-CG2 3.25Å; A381-V385 WeakPolarHBondContact O-CG2 3.32Å; A381-V385 PolarHBondContact O-N 1.98Å; N382-V385 PolarHBondContact O-N 3.06Å
386	M	72.4	Confident	64.4	Low	42 Å²	42	90.5 Å²	90.5	21%	0.207	45%	0.448	C	S	.	.	H	α-helix	trans	-81	-31.9	179.8	-64.8	-64	157	0	0	113	L99 I160 K164 N382 H383 L384 K388 R389	L99-M386 HydrophobicContact CD2-CE 4.49Å; I160-M386 HydrophobicContact CG2-CE 3.48Å; I160-M386 VanDerWaalsContact CG2-CE 3.48Å; K164-M386 HydrophobicContact CB-CE 3.55Å; K164-M386 HydrophobicContact CB-SD 4.45Å; K164-M386 HydrophobicContact CD-CE 4.17Å; K164-M386 HydrophobicContact CD-SD 4.19Å; K164-M386 HydrophobicContact CG-CE 3.7Å; K164-M386 HydrophobicContact CG-SD 3.93Å; N382-M386 WeakPolarHBondContact O-CB 3.14Å; N382-M386 VanDerWaalsContact O-CG 3.26Å; N382-M386 WeakPolarHBondContact O-CG 3.25Å; N382-M386 PolarHBondContact O-N 2.83Å; H383-M386 PolarHBondContact O-N 3.08Å; L384-M386 VanDerWaalsContact C-N 3.27Å; L384-M386 PolarHBondContact O-N 3.13Å; M386-K388 VanDerWaalsContact C-N 3.34Å; M386-K388 PolarHBondContact O-N 3.46Å; M386-R389 WeakPolarHBondContact O-CB 3.31Å; M386-R389 PolarHBondContact O-N 3.22Å
387	L	68.6	Low	61.5	Low	81 Å²	81	97.8 Å²	97.8	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-29.2	177.1	-84.1	-179.5	0	0	0	114.3	H383 L384 R389 H390	H383-L387 WeakPolarHBondContact NE2-CD1 3.37Å; H383-L387 WeakPolarHBondContact O-CB 3.35Å; H383-L387 WeakPolarHBondContact O-CG 3.19Å; H383-L387 PolarHBondContact O-N 3.17Å; L384-L387 PolarHBondContact O-N 3.1Å; L387-R389 PolarHBondContact O-N 3.06Å; L387-H390 PolarHBondContact O-N 3.43Å
388	K	59.5	Low	58.7	Low	136 Å²	136	97 Å²	97	59%	0.591	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-3.5	175.9	-75.5	-177.2	178.6	178.7	0	114.1	L384 M386	L384-K388 PolarHBondContact O-N 2.85Å; M386-K388 VanDerWaalsContact C-N 3.34Å; M386-K388 PolarHBondContact O-N 3.46Å
389	R	50.4	Low	56.1	Low	85 Å²	85	98.6 Å²	98.6	32%	0.321	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.5	171.9	-122.6	178.8	-179.3	165.6	-0	114.8	T98 M386 L387	T98-R389 VanDerWaalsContact CB-NH2 3.31Å; M386-R389 WeakPolarHBondContact O-CB 3.31Å; M386-R389 PolarHBondContact O-N 3.22Å; L387-R389 PolarHBondContact O-N 3.06Å
390	H	41	Very low	53.8	Low	150 Å²	150	100.6 Å²	100.6	69%	0.694	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-30.8	-179.4	-85.8	-79.7	0	0	0	113.5	L387 L392	L387-H390 PolarHBondContact O-N 3.43Å; H390-L392 VanDerWaalsContact C-N 3.34Å; H390-L392 PolarHBondContact O-N 3.46Å
391	D	40.9	Very low	51.5	Low	112 Å²	112	101.8 Å²	101.8	60%	0.599	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-75.3	-20.2	-176.1	-69.2	-21.6	0	0	0	113.9	N393 G394	D391-N393 VanDerWaalsContact C-N 3.31Å; D391-N393 PolarHBondContact O-N 2.93Å; D391-G394 PolarHBondContact O-N 3.3Å
392	L	42.1	Very low	49.4	Very low	143 Å²	143	109.1 Å²	109.1	75%	0.749	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-79.8	-8	-179.9	-74.9	162.5	0	0	0	114.3	H390	H390-L392 VanDerWaalsContact C-N 3.34Å; H390-L392 PolarHBondContact O-N 3.46Å
393	N	37.4	Very low	47.3	Very low	153 Å²	153	113.9 Å²	113.9	82%	0.818	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-106.3	15.5	168.5	-73.4	-11.3	0	0	0	112	D391	D391-N393 VanDerWaalsContact C-N 3.31Å; D391-N393 PolarHBondContact O-N 2.93Å
394	G	34.2	Very low	45.3	Very low	40 Å²	40	112.3 Å²	112.3	41%	0.412	59%	0.594	S	S	.	*			trans	-85.3	4.2	-169.5	0	0	0	0	0	117.1	D391 K396 L397	D391-G394 PolarHBondContact O-N 3.3Å; G394-K396 PolarHBondContact O-N 2.91Å; G394-L397 PolarHBondContact O-N 3.49Å
395	E	35.2	Very low	43.4	Very low	203 Å²	203	111.7 Å²	111.7	95%	0.949	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	9.4	178.7	-83.9	-168.3	160.9	0	0	114.9
396	K	34.4	Very low	41.4	Very low	201 Å²	201	113.2 Å²	113.2	87%	0.874	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	16	176.4	-91.3	-170.8	177.8	-180	0	117	G394	G394-K396 PolarHBondContact O-N 2.91Å
397	L	31.6	Very low	39.8	Very low	157 Å²	157	120.6 Å²	120.6	82%	0.822	63%	0.634	S	S	*	*	S	Bend	trans	-128.6	111.4	172.9	-145.6	68.5	0	0	0	111.6	G394	G394-L397 PolarHBondContact O-N 3.49Å
398	G	30.1	Very low	38.6	Very low	64 Å²	64	123 Å²	123	66%	0.66	64%	0.641	S	S	*	*			trans	-57.3	150.6	-172.5	0	0	0	0	0	114.4	I400	G398-I400 PolarHBondContact O-N 3.13Å
399	S	32.5	Very low	37.7	Very low	118 Å²	118	122 Å²	122	83%	0.825	64%	0.642	S	S	*	*			trans	30.6	88.3	158.9	60.4	0	0	0	0	115.4	S401	S399-S401 VanDerWaalsContact C-N 3.34Å; S399-S401 PolarHBondContact O-N 2.88Å
400	I	35.6	Very low	37.4	Very low	113 Å²	113	122 Å²	122	58%	0.579	66%	0.66	S	S	*	*			trans	-62.6	100	160.1	-63.3	177.6	0	0	0	106.7	G398 S404	G398-I400 PolarHBondContact O-N 3.13Å; I400-S404 WeakPolarHBondContact CG2-OG 3.34Å
401	S	36.1	Very low	38	Very low	61 Å²	61	119.5 Å²	119.5	43%	0.427	65%	0.651	S	S	.	*			trans	-62.4	153.4	174.7	58.4	0	0	0	0	111	S399 E403 S404	S399-S401 VanDerWaalsContact C-N 3.34Å; S399-S401 PolarHBondContact O-N 2.88Å; S401-E403 PolarHBondContact O-N 3.41Å; S401-S404 VanDerWaalsContact O-CB 3.3Å; S401-S404 WeakPolarHBondContact O-CB 3.32Å; S401-S404 PolarHBondContact O-N 3.41Å; S401-S404 PolarHBondContact O-OG 3.19Å; S401-S404 VanDerWaalsContact O-OG 3.08Å
402	E	40.5	Very low	39.1	Very low	171 Å²	171	122.9 Å²	122.9	80%	0.799	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-21.5	177.9	-69.3	-179.2	149.7	0	0	114	S404 I405 G406	E402-S404 PolarHBondContact O-N 3.43Å; E402-I405 WeakPolarHBondContact O-CB 3.38Å; E402-I405 PolarHBondContact O-N 3.05Å; E402-G406 PolarHBondContact O-N 2.77Å
403	E	38.7	Very low	40.3	Very low	161 Å²	161	117.7 Å²	117.7	75%	0.752	63%	0.633	S	S	*	*	H	α-helix	trans	-58.1	-29.9	170.3	-89.2	-179.7	142.1	0	0	113.6	S401 I405 G406 R407	S401-E403 PolarHBondContact O-N 3.41Å; E403-I405 VanDerWaalsContact C-N 3.27Å; E403-I405 PolarHBondContact O-N 3.22Å; E403-G406 PolarHBondContact O-N 2.91Å; E403-R407 PolarHBondContact O-N 2.83Å
404	S	36.8	Very low	42.5	Very low	44 Å²	44	116.2 Å²	116.2	31%	0.308	62%	0.62	S	S	.	*	H	α-helix	trans	-71.3	-25.4	176.4	-47.1	0	0	0	0	111.9	I400 S401 E402 K408	I400-S404 WeakPolarHBondContact CG2-OG 3.34Å; S401-S404 VanDerWaalsContact O-CB 3.3Å; S401-S404 WeakPolarHBondContact O-CB 3.32Å; S401-S404 PolarHBondContact O-N 3.41Å; S401-S404 PolarHBondContact O-OG 3.19Å; S401-S404 VanDerWaalsContact O-OG 3.08Å; E402-S404 PolarHBondContact O-N 3.43Å; S404-K408 VanDerWaalsContact O-CG 3.31Å; S404-K408 WeakPolarHBondContact O-CG 3.37Å; S404-K408 PolarHBondContact O-N 3.49Å; S404-K408 VanDerWaalsContact O-N 3.11Å
405	I	37.6	Very low	45.3	Very low	96 Å²	96	117.2 Å²	117.2	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-78.1	-35.1	174	-58.6	174.3	0	0	0	109.9	E402 E403 K408 N409	E402-I405 WeakPolarHBondContact O-CB 3.38Å; E402-I405 PolarHBondContact O-N 3.05Å; E403-I405 VanDerWaalsContact C-N 3.27Å; E403-I405 PolarHBondContact O-N 3.22Å; I405-K408 WeakPolarHBondContact O-CB 3.31Å; I405-K408 PolarHBondContact O-N 3.4Å; I405-N409 PolarHBondContact O-N 2.79Å
406	G	34.3	Very low	48.2	Very low	46 Å²	46	107.6 Å²	107.6	47%	0.474	57%	0.566	S	S	.	*	H	α-helix	trans	-61.1	-41.2	168.9	0	0	0	0	0	112.8	E402 E403 K408 N409 A410	E402-G406 PolarHBondContact O-N 2.77Å; E403-G406 PolarHBondContact O-N 2.91Å; G406-K408 VanDerWaalsContact C-N 3.35Å; G406-K408 PolarHBondContact O-N 2.81Å; G406-N409 PolarHBondContact O-N 3.11Å; G406-A410 PolarHBondContact O-N 2.9Å
407	R	38.4	Very low	51.2	Low	198 Å²	198	98 Å²	98	75%	0.747	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-29.1	174.8	-133.1	173.7	-166.9	156.8	3.3	113.3	E403 N409 A410	E403-R407 PolarHBondContact O-N 2.83Å; R407-N409 VanDerWaalsContact C-N 3.26Å; R407-N409 PolarHBondContact O-N 3.23Å; R407-A410 PolarHBondContact O-N 3.37Å
408	K	43.1	Very low	54.3	Low	131 Å²	131	90.5 Å²	90.5	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-64	-28	172.2	-79.9	171.5	-179.8	177.7	0	112.8	S404 I405 G406	S404-K408 VanDerWaalsContact O-CG 3.31Å; S404-K408 WeakPolarHBondContact O-CG 3.37Å; S404-K408 PolarHBondContact O-N 3.49Å; S404-K408 VanDerWaalsContact O-N 3.11Å; I405-K408 WeakPolarHBondContact O-CB 3.31Å; I405-K408 PolarHBondContact O-N 3.4Å; G406-K408 VanDerWaalsContact C-N 3.35Å; G406-K408 PolarHBondContact O-N 2.81Å
409	N	41.5	Very low	57.5	Low	115 Å²	115	87.5 Å²	87.5	62%	0.615	45%	0.454	S	S	*	.	H	α-helix	trans	-84	-27.4	175	-75.4	-22.2	0	0	0	113.3	I405 G406 R407 L411	I405-N409 PolarHBondContact O-N 2.79Å; G406-N409 PolarHBondContact O-N 3.11Å; R407-N409 VanDerWaalsContact C-N 3.26Å; R407-N409 PolarHBondContact O-N 3.23Å; N409-L411 PolarHBondContact O-N 3.4Å
410	A	43.8	Very low	60.6	Low	85 Å²	85	82 Å²	82	70%	0.702	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.4	176.5	0	0	0	0	0	114.3	G406 R407	G406-A410 PolarHBondContact O-N 2.9Å; R407-A410 PolarHBondContact O-N 3.37Å
411	L	53.1	Low	63.4	Low	97 Å²	97	77 Å²	77	51%	0.508	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	2.8	-178.7	-104.4	146.6	0	0	0	114.4	N409 A413	N409-L411 PolarHBondContact O-N 3.4Å; L411-A413 PolarHBondContact O-N 2.79Å
412	R	63.6	Low	66	Low	184 Å²	184	74.4 Å²	74.4	69%	0.694	37%	0.372	S	S	*	.	S	Bend	trans	-73.4	100	169.5	-74.8	-174.5	179.6	-176.9	0.8	108.4	K414	R412-K414 PolarHBondContact O-N 3.11Å
413	A	68.1	Low	68.3	Low	33 Å²	33	67.5 Å²	67.5	27%	0.273	34%	0.34	S	S	.	.			trans	-47	136.2	173.3	0	0	0	0	0	110.2	P344 L411 R415	P344-A413 HydrophobicContact CG-CB 4.05Å; L411-A413 PolarHBondContact O-N 2.79Å; A413-R415 PolarHBondContact O-N 2.94Å
414	K	84.3	Confident	70.7	Confident	122 Å²	122	60.9 Å²	60.9	53%	0.53	31%	0.311	S	S	.	.			trans	-58.3	131.2	176.8	-70.5	171.3	173.4	-177.5	0	108.7	R412 S416 I438	R412-K414 PolarHBondContact O-N 3.11Å; K414-S416 PolarHBondContact O-N 2.96Å; K414-I438 HydrophobicContact CB-CD1 3.9Å; K414-I438 HydrophobicContact CD-CD1 3.69Å; K414-I438 HydrophobicContact CG-CD1 4.13Å
415	R	92.7	Very high	73.3	Confident	62 Å²	62	63.7 Å²	63.7	23%	0.234	32%	0.323	C	S	.	.			trans	-79.8	87.1	-179.8	-63.1	-169.3	-176.6	-139.6	-11	109.7	D373 F376 D377 A413 H437 I438	D373-R415 IonicContact OD1-CZ 3.75Å; D373-R415 IonicContact OD1-NH1 3.56Å; D373-R415 PolarHBondContact OD1-NH1 2.95Å; F376-R415 HydrophobicContact CB-CG 4.11Å; F376-R415 HydrophobicContact CD1-CG 4.16Å; F376-R415 HydrophobicContact CD2-CB 3.9Å; F376-R415 HydrophobicContact CD2-CG 3.8Å; F376-R415 HydrophobicContact CE2-CB 3.87Å; F376-R415 HydrophobicContact CE2-CG 4.27Å; F376-R415 HydrophobicContact CG-CB 4.28Å; F376-R415 HydrophobicContact CG-CG 3.76Å; F376-R415 HydrophobicContact CZ-CB 4.23Å; D377-R415 IonicContact OD1-CZ 3.71Å; D377-R415 IonicContact OD1-NH1 3.94Å; D377-R415 IonicContact OD1-NH2 3.1Å; D377-R415 PolarHBondContact OD1-NH2 3.28Å; A413-R415 PolarHBondContact O-N 2.94Å; R415-H437 CarbonylContact O-C 3.58Å; R415-H437 VanDerWaalsContact O-CA 3.25Å; R415-H437 WeakPolarHBondContact O-CA 3.34Å; R415-H437 WeakPolarHBondContact O-CB 3.42Å; R415-I438 PolarHBondContact O-N 3.36Å
416	S	95.4	Very high	75.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.1	-175.2	-64.2	0	0	0	0	111.9	V346 F376 K414 I438	V346-S416 PolarHBondContact N-O 2.77Å; F376-S416 VanDerWaalsContact CZ-N 3.32Å; F376-S416 WeakPolarHBondContact CZ-O 2.86Å; K414-S416 PolarHBondContact O-N 2.96Å; S416-I438 CarbonylContact C-O 3.59Å; S416-I438 WeakPolarHBondContact CA-O 3.28Å
417	V	97.3	Very high	78.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.6	178.3	175.4	0	0	0	0	109.9	V346 V348 M369 V372 F430 I438 L439 Y440	V346-V417 CarbonylContact O-C 3.43Å; V346-V417 VanDerWaalsContact O-CA 3.27Å; V346-V417 WeakPolarHBondContact O-CA 3.48Å; V348-V417 HydrophobicContact CB-CG1 3.95Å; V348-V417 HydrophobicContact CG2-CG1 3.59Å; M369-V417 HydrophobicContact CE-CG2 4.24Å; V372-V417 HydrophobicContact CG1-CG2 3.72Å; V417-F430 HydrophobicContact CB-CE2 4.09Å; V417-F430 HydrophobicContact CB-CZ 3.87Å; V417-F430 HydrophobicContact CG1-CE2 3.91Å; V417-F430 HydrophobicContact CG1-CZ 4.21Å; V417-F430 HydrophobicContact CG2-CE2 4.16Å; V417-F430 HydrophobicContact CG2-CZ 3.9Å; V417-I438 PolarHBondContact N-O 2.98Å; V417-L439 HydrophobicContact CB-CD1 4.5Å; V417-L439 HydrophobicContact CG1-CD1 4.36Å; V417-Y440 PolarHBondContact O-N 3.1Å
418	Y	97.5	Very high	81.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.8	163.8	-178.6	-86.8	0	0	0	108.9	T334 F338 V346 G347 V348 A420 R445 D466 A469 L470	T334-Y418 HydrophobicContact CG2-CE2 4.04Å; F338-Y418 AromaticContact CD1-CD2 3.62Å; F338-Y418 HydrophobicContact CD1-CD2 3.62Å; F338-Y418 HydrophobicContact CD1-CE2 4.03Å; F338-Y418 AromaticContact CE1-CD2 3.78Å; F338-Y418 HydrophobicContact CE1-CD2 3.78Å; F338-Y418 AromaticContact CE1-CE2 3.97Å; F338-Y418 HydrophobicContact CE1-CE2 3.97Å; F338-Y418 HydrophobicContact CE1-CG 4.49Å; F338-Y418 HydrophobicContact CG-CD2 4.29Å; V346-Y418 PolarHBondContact O-N 3.48Å; G347-Y418 CarbonylContact C-O 3.44Å; G347-Y418 WeakPolarHBondContact CA-O 3.12Å; V348-Y418 PolarHBondContact N-O 2.86Å; Y418-A420 HydrophobicContact CE1-CB 4.28Å; Y418-R445 PolarHBondContact OH-NH2 3.02Å; Y418-D466 PolarHBondContact OH-OD1 2.87Å; Y418-A469 HydrophobicContact CD1-CB 4.28Å; Y418-A469 HydrophobicContact CD2-CB 4.47Å; Y418-A469 HydrophobicContact CE1-CB 3.55Å; Y418-A469 HydrophobicContact CE2-CB 3.76Å; Y418-A469 VanDerWaalsContact OH-CB 3.24Å; Y418-A469 WeakPolarHBondContact OH-CB 3.43Å; Y418-L470 HydrophobicContact CD1-CD2 3.98Å; Y418-L470 HydrophobicContact CD1-CG 4.31Å; Y418-L470 HydrophobicContact CE1-CD2 4.41Å; Y418-L470 HydrophobicContact CE1-CG 4.3Å
419	L	97.5	Very high	83.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	-178.1	178.7	64.7	0	0	0	111.2	V348 I350 T421 V426 F427 L439 Y440	V348-L419 HydrophobicContact CB-CD1 4.27Å; V348-L419 HydrophobicContact CG1-CD1 3.97Å; V348-L419 WeakPolarHBondContact O-CA 3.37Å; I350-L419 HydrophobicContact CD1-CD1 4.01Å; I350-L419 HydrophobicContact CG1-CD1 4.38Å; L419-T421 HydrophobicContact CD2-CG2 4.41Å; L419-T421 HydrophobicContact CG-CG2 4.28Å; L419-V426 HydrophobicContact CD1-CG1 4.25Å; L419-V426 HydrophobicContact CD2-CB 4.43Å; L419-V426 HydrophobicContact CD2-CG1 3.86Å; L419-F427 HydrophobicContact CB-CE1 4.2Å; L419-F427 HydrophobicContact CB-CZ 4.1Å; L419-F427 HydrophobicContact CD2-CD1 4.04Å; L419-F427 HydrophobicContact CD2-CD2 3.96Å; L419-F427 HydrophobicContact CD2-CE1 3.99Å; L419-F427 HydrophobicContact CD2-CE2 3.9Å; L419-F427 HydrophobicContact CD2-CG 4.02Å; L419-F427 HydrophobicContact CD2-CZ 3.92Å; L419-F427 HydrophobicContact CG-CE1 4.38Å; L419-F427 HydrophobicContact CG-CE2 4.19Å; L419-F427 HydrophobicContact CG-CZ 4Å; L419-L439 HydrophobicContact CB-CD1 3.65Å; L419-L439 HydrophobicContact CD2-CD1 4.22Å; L419-Y440 PolarHBondContact N-O 3.46Å
420	A	96.6	Very high	86.4	Confident	2 Å²	2	44 Å²	44	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.6	166.9	0	0	0	0	0	109.4	V348 H349 I350 Y418 D466 L470	V348-A420 PolarHBondContact O-N 3.16Å; H349-A420 VanDerWaalsContact CA-O 3.31Å; H349-A420 WeakPolarHBondContact CA-O 2.98Å; I350-A420 PolarHBondContact N-O 3Å; Y418-A420 HydrophobicContact CE1-CB 4.28Å; A420-D466 HydrophobicContact CB-CB 3.99Å; A420-L470 HydrophobicContact CB-CD1 3.78Å; A420-L470 HydrophobicContact CB-CD2 4.09Å; A420-L470 HydrophobicContact CB-CG 4.04Å
421	T	94.5	Very high	88.8	Confident	8 Å²	8	43.3 Å²	43.3	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	153.4	-177.1	-174.2	0	0	0	0	110.4	I350 L419 D423 V426 F427 S446	I350-T421 VanDerWaalsContact O-CA 3.27Å; I350-T421 WeakPolarHBondContact O-CA 3.46Å; I350-T421 VanDerWaalsContact O-CB 3.3Å; I350-T421 WeakPolarHBondContact O-CB 3.43Å; I350-T421 PolarHBondContact O-OG1 2.83Å; L419-T421 HydrophobicContact CD2-CG2 4.41Å; L419-T421 HydrophobicContact CG-CG2 4.28Å; T421-D423 VanDerWaalsContact CG2-O 3.3Å; T421-D423 WeakPolarHBondContact CG2-O 3.45Å; T421-D423 PolarHBondContact OG1-N 3.11Å; T421-V426 HydrophobicContact CG2-CB 4.1Å; T421-V426 HydrophobicContact CG2-CG2 4.5Å; T421-F427 HydrophobicContact CG2-CD2 4.12Å; T421-F427 HydrophobicContact CG2-CE2 3.74Å; T421-S446 WeakPolarHBondContact CG2-OG 3.47Å; T421-S446 VanDerWaalsContact O-CA 3.27Å; T421-S446 WeakPolarHBondContact O-CA 3.47Å; T421-S446 WeakPolarHBondContact O-CB 3.28Å; T421-S446 PolarHBondContact O-OG 3.28Å
422	D	90.1	Very high	90.7	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	23%	0.232	C	C	.	.	S	Bend	trans	-91	1.6	170.7	57.6	-12	0	0	0	113	R351 R352 T353 A449	R351-D422 VanDerWaalsContact CD-OD2 3.27Å; R351-D422 WeakPolarHBondContact CD-OD2 3.23Å; R351-D422 IonicContact CZ-OD2 3.56Å; R351-D422 IonicContact NE-OD2 3.01Å; R351-D422 IonicContact NH1-OD2 3.83Å; R351-D422 PolarHBondContact NH1-OD2 2.97Å; R352-D422 VanDerWaalsContact N-CG 3.33Å; R352-D422 PolarHBondContact N-OD1 2.67Å; R352-D422 PolarHBondContact N-OD2 3.12Å; T353-D422 HydrophobicContact CG2-CB 4.2Å; T353-D422 PolarHBondContact OG1-OD2 3.36Å; D422-A449 HydrophobicContact CB-CB 4.11Å
423	D	90.3	Very high	92.2	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.139	22%	0.219	C	C	.	.			trans	-117.9	103.6	175.8	178.5	0.4	0	0	0	110.4	R352 T421 N425 V426	R352-D423 HydrophobicContact CB-CB 4.17Å; R352-D423 WeakPolarHBondContact CD-OD2 3.47Å; R352-D423 HydrophobicContact CG-CB 4.42Å; R352-D423 IonicContact CZ-OD2 3.91Å; R352-D423 IonicContact NE-OD2 3.73Å; R352-D423 IonicContact NH1-OD2 3.78Å; R352-D423 PolarHBondContact NH1-OD2 3.34Å; T421-D423 VanDerWaalsContact CG2-O 3.3Å; T421-D423 WeakPolarHBondContact CG2-O 3.45Å; T421-D423 PolarHBondContact OG1-N 3.11Å; D423-N425 PolarHBondContact O-N 3.28Å; D423-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 VanDerWaalsContact OD1-CB 3.27Å; D423-N425 WeakPolarHBondContact OD1-CB 3.04Å; D423-N425 PolarHBondContact OD1-N 3.38Å; D423-N425 PolarHBondContact OD1-ND2 3.44Å; D423-V426 HydrophobicContact CB-CG2 3.89Å; D423-V426 WeakPolarHBondContact O-CB 3.49Å; D423-V426 WeakPolarHBondContact O-CG2 3.47Å; D423-V426 PolarHBondContact O-N 3.01Å; D423-V426 VanDerWaalsContact O-N 3.08Å
424	P	88.1	Confident	93.4	Very high	22 Å²	22	43 Å²	43	14%	0.143	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.6	-177.2	24.8	-33.4	0	0	0	113.6	V426 F427 H447	P424-V426 PolarHBondContact O-N 2.93Å; P424-F427 PolarHBondContact O-N 3.38Å; P424-H447 WeakPolarHBondContact CB-CE1 3.28Å
425	N	91	Very high	93.7	Very high	104 Å²	104	41.7 Å²	41.7	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-67.9	-16.8	177.4	-58.1	-61.9	0	0	0	112.9	D423 F427 T428 Q429	D423-N425 PolarHBondContact O-N 3.28Å; D423-N425 VanDerWaalsContact O-N 3.12Å; D423-N425 VanDerWaalsContact OD1-CB 3.27Å; D423-N425 WeakPolarHBondContact OD1-CB 3.04Å; D423-N425 PolarHBondContact OD1-N 3.38Å; D423-N425 PolarHBondContact OD1-ND2 3.44Å; N425-F427 VanDerWaalsContact C-N 3.26Å; N425-F427 PolarHBondContact O-N 2.85Å; N425-T428 PolarHBondContact O-N 3.22Å; N425-T428 PolarHBondContact O-OG1 3.13Å; N425-Q429 WeakPolarHBondContact O-CB 3.46Å; N425-Q429 PolarHBondContact O-N 3.35Å
426	V	93.3	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-30.8	177.2	-178.3	0	0	0	0	111	I350 L365 L419 T421 D423 P424 Q429 F430	I350-V426 HydrophobicContact CD1-CG1 3.79Å; I350-V426 HydrophobicContact CG2-CG2 4.43Å; L365-V426 HydrophobicContact CD1-CG1 4.27Å; L419-V426 HydrophobicContact CD1-CG1 4.25Å; L419-V426 HydrophobicContact CD2-CB 4.43Å; L419-V426 HydrophobicContact CD2-CG1 3.86Å; T421-V426 HydrophobicContact CG2-CB 4.1Å; T421-V426 HydrophobicContact CG2-CG2 4.5Å; D423-V426 HydrophobicContact CB-CG2 3.89Å; D423-V426 WeakPolarHBondContact O-CB 3.49Å; D423-V426 WeakPolarHBondContact O-CG2 3.47Å; D423-V426 PolarHBondContact O-N 3.01Å; D423-V426 VanDerWaalsContact O-N 3.08Å; P424-V426 PolarHBondContact O-N 2.93Å; V426-Q429 PolarHBondContact O-N 3.18Å; V426-F430 VanDerWaalsContact O-CB 3.25Å; V426-F430 WeakPolarHBondContact O-CB 3.29Å; V426-F430 PolarHBondContact O-N 3.11Å
427	F	94.5	Very high	93.6	Very high	15 Å²	15	47 Å²	47	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-41.6	176.5	-80.1	-92.1	0	0	0	112.4	L419 T421 P424 N425 S431 L439 P443 S446	L419-F427 HydrophobicContact CB-CE1 4.2Å; L419-F427 HydrophobicContact CB-CZ 4.1Å; L419-F427 HydrophobicContact CD2-CD1 4.04Å; L419-F427 HydrophobicContact CD2-CD2 3.96Å; L419-F427 HydrophobicContact CD2-CE1 3.99Å; L419-F427 HydrophobicContact CD2-CE2 3.9Å; L419-F427 HydrophobicContact CD2-CG 4.02Å; L419-F427 HydrophobicContact CD2-CZ 3.92Å; L419-F427 HydrophobicContact CG-CE1 4.38Å; L419-F427 HydrophobicContact CG-CE2 4.19Å; L419-F427 HydrophobicContact CG-CZ 4Å; T421-F427 HydrophobicContact CG2-CD2 4.12Å; T421-F427 HydrophobicContact CG2-CE2 3.74Å; P424-F427 PolarHBondContact O-N 3.38Å; N425-F427 VanDerWaalsContact C-N 3.26Å; N425-F427 PolarHBondContact O-N 2.85Å; F427-S431 PolarHBondContact O-N 2.79Å; F427-S431 VanDerWaalsContact O-N 3.12Å; F427-S431 PolarHBondContact O-OG 3.01Å; F427-L439 HydrophobicContact CD1-CD2 3.66Å; F427-L439 HydrophobicContact CD1-CG 4.33Å; F427-L439 HydrophobicContact CE1-CD2 4.24Å; F427-L439 HydrophobicContact CE1-CG 4.44Å; F427-P443 HydrophobicContact CB-CG 4.3Å; F427-P443 HydrophobicContact CD1-CG 3.88Å; F427-P443 HydrophobicContact CD2-CB 4.44Å; F427-P443 HydrophobicContact CD2-CG 4.29Å; F427-P443 HydrophobicContact CE1-CG 4.3Å; F427-P443 HydrophobicContact CG-CB 4.45Å; F427-P443 HydrophobicContact CG-CG 3.9Å; F427-S446 VanDerWaalsContact CE2-OG 3.3Å; F427-S446 WeakPolarHBondContact CE2-OG 3.37Å
428	T	93.5	Very high	93.4	Very high	97 Å²	97	49.8 Å²	49.8	60%	0.595	26%	0.264	S	S	*	.	H	α-helix	trans	-70.2	-43.1	176.5	56.7	0	0	0	0	110.6	N425 F430 S431 Y432	N425-T428 PolarHBondContact O-N 3.22Å; N425-T428 PolarHBondContact O-OG1 3.13Å; T428-F430 VanDerWaalsContact C-N 3.33Å; T428-F430 PolarHBondContact O-N 3.31Å; T428-S431 PolarHBondContact O-N 3.24Å; T428-Y432 PolarHBondContact O-N 2.64Å; T428-Y432 VanDerWaalsContact O-N 3.15Å
429	Q	94	Very high	93.3	Very high	59 Å²	59	52 Å²	52	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-41.9	174.6	-173.1	-179.1	18	0	0	112.3	L365 N425 V426 N433	L365-Q429 HydrophobicContact CD2-CB 4.4Å; L365-Q429 HydrophobicContact CD2-CG 4.02Å; N425-Q429 WeakPolarHBondContact O-CB 3.46Å; N425-Q429 PolarHBondContact O-N 3.35Å; V426-Q429 PolarHBondContact O-N 3.18Å; Q429-N433 WeakPolarHBondContact CG-ND2 3.36Å; Q429-N433 WeakPolarHBondContact O-CB 3.29Å; Q429-N433 PolarHBondContact O-N 3.08Å; Q429-N433 PolarHBondContact O-ND2 3Å
430	F	95.6	Very high	93.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-51.5	178.4	-174.4	-71.8	0	0	0	111	L365 M369 V417 V426 T428 Y432 N433 H434 H437 L439	L365-F430 HydrophobicContact CD1-CD2 4.15Å; L365-F430 HydrophobicContact CD2-CB 3.9Å; L365-F430 HydrophobicContact CD2-CD2 4.23Å; L365-F430 HydrophobicContact CD2-CG 4.45Å; M369-F430 HydrophobicContact CE-CE2 3.68Å; M369-F430 HydrophobicContact CE-CZ 3.84Å; M369-F430 HydrophobicContact CG-CE2 4.5Å; M369-F430 HydrophobicContact SD-CD2 4.12Å; M369-F430 HydrophobicContact SD-CE2 3.4Å; M369-F430 WeakPolarHBondContact SD-CE2 3.41Å; M369-F430 HydrophobicContact SD-CZ 4.19Å; V417-F430 HydrophobicContact CB-CE2 4.09Å; V417-F430 HydrophobicContact CB-CZ 3.87Å; V417-F430 HydrophobicContact CG1-CE2 3.91Å; V417-F430 HydrophobicContact CG1-CZ 4.21Å; V417-F430 HydrophobicContact CG2-CE2 4.16Å; V417-F430 HydrophobicContact CG2-CZ 3.9Å; V426-F430 VanDerWaalsContact O-CB 3.25Å; V426-F430 WeakPolarHBondContact O-CB 3.29Å; V426-F430 PolarHBondContact O-N 3.11Å; T428-F430 VanDerWaalsContact C-N 3.33Å; T428-F430 PolarHBondContact O-N 3.31Å; F430-Y432 PolarHBondContact O-N 3.4Å; F430-N433 PolarHBondContact O-N 2.8Å; F430-H434 HydrophobicContact CD1-CB 4.31Å; F430-H434 HydrophobicContact CE1-CB 4.07Å; F430-H434 HydrophobicContact CZ-CB 4.3Å; F430-H434 PolarHBondContact O-N 3.31Å; F430-H437 HydrophobicContact CE1-CB 3.84Å; F430-H437 HydrophobicContact CZ-CB 3.79Å; F430-L439 HydrophobicContact CB-CD2 4.15Å; F430-L439 HydrophobicContact CD1-CB 4.05Å; F430-L439 HydrophobicContact CD1-CD1 3.9Å; F430-L439 HydrophobicContact CD1-CD2 3.69Å; F430-L439 HydrophobicContact CD1-CG 4.09Å; F430-L439 HydrophobicContact CD2-CD1 4.09Å; F430-L439 HydrophobicContact CE1-CB 3.86Å; F430-L439 HydrophobicContact CE1-CD1 3.88Å; F430-L439 HydrophobicContact CE1-CD2 4.33Å; F430-L439 HydrophobicContact CE1-CG 4.24Å; F430-L439 HydrophobicContact CE2-CD1 4.05Å; F430-L439 HydrophobicContact CG-CD1 4.03Å; F430-L439 HydrophobicContact CG-CD2 3.99Å; F430-L439 HydrophobicContact CZ-CD1 3.96Å
431	S	93.2	Very high	93.1	Very high	70 Å²	70	55.5 Å²	55.5	49%	0.49	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-34	-176.4	-56.2	0	0	0	0	111.9	F427 T428	F427-S431 PolarHBondContact O-N 2.79Å; F427-S431 VanDerWaalsContact O-N 3.12Å; F427-S431 PolarHBondContact O-OG 3.01Å; T428-S431 PolarHBondContact O-N 3.24Å
432	Y	93.8	Very high	93	Very high	197 Å²	197	57 Å²	57	77%	0.773	31%	0.308	S	S	*	.	H	α-helix	trans	-74.4	-46.6	175.8	-178.2	-99.6	0	0	0	113.2	T428 F430	T428-Y432 PolarHBondContact O-N 2.64Å; T428-Y432 VanDerWaalsContact O-N 3.15Å; F430-Y432 PolarHBondContact O-N 3.4Å
433	N	94.7	Very high	93	Very high	79 Å²	79	59.5 Å²	59.5	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-82.7	-24.7	-173.2	-71.7	-27.2	0	0	0	114.2	Q429 F430 P435	Q429-N433 WeakPolarHBondContact CG-ND2 3.36Å; Q429-N433 WeakPolarHBondContact O-CB 3.29Å; Q429-N433 PolarHBondContact O-N 3.08Å; Q429-N433 PolarHBondContact O-ND2 3Å; F430-N433 PolarHBondContact O-N 2.8Å; N433-P435 VanDerWaalsContact C-CD 3.43Å
434	H	93.7	Very high	93	Very high	31 Å²	31	60.4 Å²	60.4	14%	0.144	34%	0.341	C	S	.	.			trans	-130.4	56.9	-173.1	-59.6	-77.9	0	0	0	112	M369 F430 N436 H437	M369-H434 VanDerWaalsContact CB-CE1 3.47Å; M369-H434 WeakPolarHBondContact CB-CE1 3.42Å; M369-H434 HydrophobicContact CE-CB 4.32Å; M369-H434 WeakPolarHBondContact CG-NE2 3.49Å; F430-H434 HydrophobicContact CD1-CB 4.31Å; F430-H434 HydrophobicContact CE1-CB 4.07Å; F430-H434 HydrophobicContact CZ-CB 4.3Å; F430-H434 PolarHBondContact O-N 3.31Å; H434-N436 PolarHBondContact O-N 2.97Å; H434-N436 VanDerWaalsContact O-N 3.09Å; H434-H437 HydrophobicContact CB-CB 4.42Å; H434-H437 PolarHBondContact O-N 3.48Å; H434-H437 VanDerWaalsContact O-N 3.11Å
435	P	91.6	Very high	93.2	Very high	95 Å²	95	60.8 Å²	60.8	62%	0.617	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.7	-173.2	28.2	-37.1	0	0	0	114.3	N433	N433-P435 VanDerWaalsContact C-CD 3.43Å
436	N	90.6	Very high	93.1	Very high	148 Å²	148	55.9 Å²	55.9	79%	0.791	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.4	179.2	-63.9	-35.2	0	0	0	113.4	H434	H434-N436 PolarHBondContact O-N 2.97Å; H434-N436 VanDerWaalsContact O-N 3.09Å
437	H	93.6	Very high	92.8	Very high	25 Å²	25	60.9 Å²	60.9	12%	0.116	34%	0.336	C	S	.	.	S	Bend	trans	-97.7	147.1	177.1	-68	68.8	0	0	0	110.4	D373 R415 F430 H434	D373-H437 IonicContact OD1-CE1 3.58Å; D373-H437 PolarHBondContact OD1-CE1 3.35Å; D373-H437 VanDerWaalsContact OD1-CE1 3.26Å; D373-H437 IonicContact OD1-NE2 3.95Å; D373-H437 PolarHBondContact OD1-NE2 2.92Å; R415-H437 CarbonylContact O-C 3.58Å; R415-H437 VanDerWaalsContact O-CA 3.25Å; R415-H437 WeakPolarHBondContact O-CA 3.34Å; R415-H437 WeakPolarHBondContact O-CB 3.42Å; F430-H437 HydrophobicContact CE1-CB 3.84Å; F430-H437 HydrophobicContact CZ-CB 3.79Å; H434-H437 HydrophobicContact CB-CB 4.42Å; H434-H437 PolarHBondContact O-N 3.48Å; H434-H437 VanDerWaalsContact O-N 3.11Å
438	I	94.3	Very high	92.5	Very high	59 Å²	59	60.8 Å²	60.8	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.2	172.2	-59.8	-179.9	0	0	0	107.7	K414 R415 S416 V417 Y440	K414-I438 HydrophobicContact CB-CD1 3.9Å; K414-I438 HydrophobicContact CD-CD1 3.69Å; K414-I438 HydrophobicContact CG-CD1 4.13Å; R415-I438 PolarHBondContact O-N 3.36Å; S416-I438 CarbonylContact C-O 3.59Å; S416-I438 WeakPolarHBondContact CA-O 3.28Å; V417-I438 PolarHBondContact N-O 2.98Å; I438-Y440 HydrophobicContact CG2-CD2 4.4Å; I438-Y440 HydrophobicContact CG2-CE1 4.2Å; I438-Y440 HydrophobicContact CG2-CE2 3.77Å
439	L	95.4	Very high	92	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122	-179.1	-175	62.7	0	0	0	111	V417 L419 F427 F430	V417-L439 HydrophobicContact CB-CD1 4.5Å; V417-L439 HydrophobicContact CG1-CD1 4.36Å; L419-L439 HydrophobicContact CB-CD1 3.65Å; L419-L439 HydrophobicContact CD2-CD1 4.22Å; F427-L439 HydrophobicContact CD1-CD2 3.66Å; F427-L439 HydrophobicContact CD1-CG 4.33Å; F427-L439 HydrophobicContact CE1-CD2 4.24Å; F427-L439 HydrophobicContact CE1-CG 4.44Å; F430-L439 HydrophobicContact CB-CD2 4.15Å; F430-L439 HydrophobicContact CD1-CB 4.05Å; F430-L439 HydrophobicContact CD1-CD1 3.9Å; F430-L439 HydrophobicContact CD1-CD2 3.69Å; F430-L439 HydrophobicContact CD1-CG 4.09Å; F430-L439 HydrophobicContact CD2-CD1 4.09Å; F430-L439 HydrophobicContact CE1-CB 3.86Å; F430-L439 HydrophobicContact CE1-CD1 3.88Å; F430-L439 HydrophobicContact CE1-CD2 4.33Å; F430-L439 HydrophobicContact CE1-CG 4.24Å; F430-L439 HydrophobicContact CE2-CD1 4.05Å; F430-L439 HydrophobicContact CG-CD1 4.03Å; F430-L439 HydrophobicContact CG-CD2 3.99Å; F430-L439 HydrophobicContact CZ-CD1 3.96Å
440	Y	95.6	Very high	91.2	Very high	46 Å²	46	57.2 Å²	57.2	18%	0.18	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	158.1	166.3	-56.7	-75.1	0	0	0	109.8	S337 F338 V345 V417 L419 I438	S337-Y440 WeakPolarHBondContact O-CD1 3.47Å; S337-Y440 WeakPolarHBondContact O-CE1 3.42Å; F338-Y440 HydrophobicContact CB-CD1 3.82Å; F338-Y440 HydrophobicContact CB-CD2 3.47Å; F338-Y440 VanDerWaalsContact CB-CD2 3.47Å; F338-Y440 HydrophobicContact CB-CE1 4.12Å; F338-Y440 HydrophobicContact CB-CE2 3.77Å; F338-Y440 HydrophobicContact CB-CG 3.49Å; F338-Y440 VanDerWaalsContact CB-CG 3.49Å; V345-Y440 HydrophobicContact CG1-CD2 4.36Å; V345-Y440 HydrophobicContact CG2-CE2 4.44Å; V417-Y440 PolarHBondContact O-N 3.1Å; L419-Y440 PolarHBondContact N-O 3.46Å; I438-Y440 HydrophobicContact CG2-CD2 4.4Å; I438-Y440 HydrophobicContact CG2-CE1 4.2Å; I438-Y440 HydrophobicContact CG2-CE2 3.77Å
441	G	93.5	Very high	90.2	Very high	28 Å²	28	62.2 Å²	62.2	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	132.1	175.1	-175.8	0	0	0	0	0	110.5
442	S	92.5	Very high	89.2	Confident	39 Å²	39	66.2 Å²	66.2	27%	0.273	36%	0.355	S	S	.	.			trans	-128.4	110.9	-179.3	176.1	0	0	0	0	110.2	G444 R445 S446	S442-G444 PolarHBondContact O-N 3.28Å; S442-G444 PolarHBondContact OG-N 2.98Å; S442-R445 PolarHBondContact O-N 2.77Å; S442-R445 PolarHBondContact OG-N 2.71Å; S442-S446 PolarHBondContact O-N 3.19Å
443	P	90.4	Very high	88.5	Confident	60 Å²	60	61.6 Å²	61.6	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-53.6	-35.5	170	-25.8	33.7	0	0	0	111.8	F427 R445 S446 H447	F427-P443 HydrophobicContact CB-CG 4.3Å; F427-P443 HydrophobicContact CD1-CG 3.88Å; F427-P443 HydrophobicContact CD2-CB 4.44Å; F427-P443 HydrophobicContact CD2-CG 4.29Å; F427-P443 HydrophobicContact CE1-CG 4.3Å; F427-P443 HydrophobicContact CG-CB 4.45Å; F427-P443 HydrophobicContact CG-CG 3.9Å; P443-R445 VanDerWaalsContact C-N 3.34Å; P443-R445 PolarHBondContact O-N 2.79Å; P443-S446 WeakPolarHBondContact O-CB 3.45Å; P443-S446 PolarHBondContact O-N 3.33Å; P443-H447 PolarHBondContact O-N 3.49Å; P443-H447 PolarHBondContact O-ND1 2.82Å
444	G	90.4	Very high	87.7	Confident	46 Å²	46	60.4 Å²	60.4	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-35.4	176.8	0	0	0	0	0	113.6	S442 H447 S448	S442-G444 PolarHBondContact O-N 3.28Å; S442-G444 PolarHBondContact OG-N 2.98Å; G444-H447 PolarHBondContact O-N 3.46Å; G444-S448 PolarHBondContact O-N 2.77Å
445	R	91.8	Very high	87	Confident	30 Å²	30	63.6 Å²	63.6	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-66.6	-40.9	172.6	-71.5	-160	-71.6	-97.7	-4.4	111.4	T334 Y418 S442 P443 H447 S448 A449 N462 D466	T334-R445 PolarHBondContact OG1-NH1 2.88Å; Y418-R445 PolarHBondContact OH-NH2 3.02Å; S442-R445 PolarHBondContact O-N 2.77Å; S442-R445 PolarHBondContact OG-N 2.71Å; P443-R445 VanDerWaalsContact C-N 3.34Å; P443-R445 PolarHBondContact O-N 2.79Å; R445-H447 PolarHBondContact O-N 3.43Å; R445-S448 PolarHBondContact O-N 3Å; R445-S448 VanDerWaalsContact O-N 3.11Å; R445-S448 PolarHBondContact O-OG 2.57Å; R445-A449 PolarHBondContact O-N 3.37Å; R445-N462 HydrophobicContact CB-CB 4.09Å; R445-N462 HydrophobicContact CG-CB 3.71Å; R445-D466 IonicContact CZ-OD1 3.36Å; R445-D466 IonicContact NE-OD1 3.47Å; R445-D466 PolarHBondContact NE-OD1 3.11Å; R445-D466 IonicContact NE-OD2 3.52Å; R445-D466 IonicContact NH2-OD1 2.79Å; R445-D466 PolarHBondContact NH2-OD1 3.47Å
446	S	89	Confident	86.7	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-42.6	175.4	-65.2	0	0	0	0	113.3	T421 F427 S442 P443 S448 A449	T421-S446 WeakPolarHBondContact CG2-OG 3.47Å; T421-S446 VanDerWaalsContact O-CA 3.27Å; T421-S446 WeakPolarHBondContact O-CA 3.47Å; T421-S446 WeakPolarHBondContact O-CB 3.28Å; T421-S446 PolarHBondContact O-OG 3.28Å; F427-S446 VanDerWaalsContact CE2-OG 3.3Å; F427-S446 WeakPolarHBondContact CE2-OG 3.37Å; S442-S446 PolarHBondContact O-N 3.19Å; P443-S446 WeakPolarHBondContact O-CB 3.45Å; P443-S446 PolarHBondContact O-N 3.33Å; S446-S448 VanDerWaalsContact C-N 3.28Å; S446-S448 PolarHBondContact O-N 3.06Å; S446-A449 PolarHBondContact O-N 3.14Å; S446-A449 VanDerWaalsContact O-N 3.13Å
447	H	87.4	Confident	86.6	Confident	104 Å²	104	58 Å²	58	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-37.8	174.9	-70.7	86.1	0	0	0	112.1	P424 P443 G444 R445 A449 D450	P424-H447 WeakPolarHBondContact CB-CE1 3.28Å; P443-H447 PolarHBondContact O-N 3.49Å; P443-H447 PolarHBondContact O-ND1 2.82Å; G444-H447 PolarHBondContact O-N 3.46Å; R445-H447 PolarHBondContact O-N 3.43Å; H447-A449 PolarHBondContact O-N 3.4Å; H447-D450 WeakPolarHBondContact O-CB 3.39Å; H447-D450 PolarHBondContact O-N 3.1Å
448	S	87.9	Confident	86.5	Confident	13 Å²	13	61.5 Å²	61.5	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-20.1	178.3	70.5	0	0	0	0	114.1	G444 R445 S446 F453 S459 N462	G444-S448 PolarHBondContact O-N 2.77Å; R445-S448 PolarHBondContact O-N 3Å; R445-S448 VanDerWaalsContact O-N 3.11Å; R445-S448 PolarHBondContact O-OG 2.57Å; S446-S448 VanDerWaalsContact C-N 3.28Å; S446-S448 PolarHBondContact O-N 3.06Å; S448-F453 CarbonylContact O-C 3.51Å; S448-S459 VanDerWaalsContact O-CB 3.26Å; S448-S459 WeakPolarHBondContact O-CB 3.19Å; S448-S459 PolarHBondContact O-OG 3.29Å; S448-S459 VanDerWaalsContact O-OG 3.1Å; S448-N462 PolarHBondContact OG-ND2 3.32Å
449	A	82.5	Confident	86.3	Confident	22 Å²	22	58.9 Å²	58.9	18%	0.182	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.4	179	0	0	0	0	0	113.6	D422 R445 S446 H447 R454	D422-A449 HydrophobicContact CB-CB 4.11Å; R445-A449 PolarHBondContact O-N 3.37Å; S446-A449 PolarHBondContact O-N 3.14Å; S446-A449 VanDerWaalsContact O-N 3.13Å; H447-A449 PolarHBondContact O-N 3.4Å; A449-R454 PolarHBondContact O-NE 3.05Å; A449-R454 PolarHBondContact O-NH2 3.2Å
450	D	77.1	Confident	86	Confident	60 Å²	60	57.3 Å²	57.3	32%	0.321	31%	0.305	S	S	.	.	S	Bend	trans	-57.2	146.8	171.2	-158	-35.7	0	0	0	110.1	H447 E452 F453 R454	H447-D450 WeakPolarHBondContact O-CB 3.39Å; H447-D450 PolarHBondContact O-N 3.1Å; D450-E452 PolarHBondContact O-N 3.06Å; D450-F453 PolarHBondContact O-N 2.99Å; D450-R454 WeakPolarHBondContact O-CB 3.43Å; D450-R454 PolarHBondContact O-N 2.75Å
451	M	76	Confident	85.9	Confident	107 Å²	107	56.1 Å²	56.1	53%	0.527	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.6	-175	-66.9	-175.6	-67.5	0	0	112.8	D354	D354-M451 HydrophobicContact CB-CG 4.47Å; D354-M451 HydrophobicContact CB-SD 3.66Å
452	E	72.3	Confident	85.9	Confident	153 Å²	153	56 Å²	56	72%	0.715	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-39.9	178.9	-170.8	177	-178.9	0	0	112.9	D450	D450-E452 PolarHBondContact O-N 3.06Å
453	F	77.9	Confident	85.9	Confident	100 Å²	100	55.1 Å²	55.1	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-4	-173.7	-53.2	-65.9	0	0	0	113.7	S448 D450 M455 T456 S459	S448-F453 CarbonylContact O-C 3.51Å; D450-F453 PolarHBondContact O-N 2.99Å; F453-M455 VanDerWaalsContact C-N 3.26Å; F453-M455 PolarHBondContact O-N 3.27Å; F453-T456 WeakPolarHBondContact O-CB 3.26Å; F453-T456 VanDerWaalsContact O-CG2 3.25Å; F453-T456 WeakPolarHBondContact O-CG2 3.28Å; F453-T456 PolarHBondContact O-N 3.38Å; F453-T456 PolarHBondContact O-OG1 2.92Å; F453-S459 VanDerWaalsContact O-CB 3.3Å; F453-S459 WeakPolarHBondContact O-CB 3.05Å
454	R	79	Confident	86.1	Confident	54 Å²	54	52.4 Å²	52.4	20%	0.204	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39	-170	-173.8	174.9	-66.9	173.3	-1.1	113.1	R351 T353 D354 A449 D450 T456 S459	R351-R454 VanDerWaalsContact NH2-NH1 3.18Å; T353-R454 PolarHBondContact OG1-NH2 3.25Å; D354-R454 IonicContact OD1-CZ 3.65Å; D354-R454 IonicContact OD1-NH1 3.13Å; D354-R454 PolarHBondContact OD1-NH1 3.22Å; D354-R454 IonicContact OD1-NH2 2.9Å; D354-R454 PolarHBondContact OD1-NH2 2.8Å; D354-R454 VanDerWaalsContact OD1-NH2 3.09Å; D354-R454 IonicContact OD2-NH1 3.26Å; D354-R454 PolarHBondContact OD2-NH1 2.6Å; A449-R454 PolarHBondContact O-NE 3.05Å; A449-R454 PolarHBondContact O-NH2 3.2Å; D450-R454 WeakPolarHBondContact O-CB 3.43Å; D450-R454 PolarHBondContact O-N 2.75Å; R454-T456 PolarHBondContact O-N 3.36Å; R454-T456 VanDerWaalsContact O-N 3.15Å; R454-S459 WeakPolarHBondContact CA-OG 3.24Å; R454-S459 VanDerWaalsContact O-CB 3.28Å; R454-S459 WeakPolarHBondContact O-CB 3.34Å; R454-S459 PolarHBondContact O-OG 2.75Å
455	M	78.3	Confident	86.3	Confident	99 Å²	99	50.3 Å²	50.3	49%	0.488	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	49	-179	-59.6	-59.9	-74.4	0	0	111.3	I246 F453	I246-M455 HydrophobicContact CD1-CB 4.5Å; I246-M455 WeakPolarHBondContact CD1-O 3.47Å; F453-M455 VanDerWaalsContact C-N 3.26Å; F453-M455 PolarHBondContact O-N 3.27Å
456	T	85.9	Confident	86.6	Confident	54 Å²	54	49.7 Å²	49.7	33%	0.331	25%	0.249	S	C	.	.	S	Bend	trans	-123.5	152.8	173.5	63.6	0	0	0	0	110.4	F453 R454 N458 S459 M460	F453-T456 WeakPolarHBondContact O-CB 3.26Å; F453-T456 VanDerWaalsContact O-CG2 3.25Å; F453-T456 WeakPolarHBondContact O-CG2 3.28Å; F453-T456 PolarHBondContact O-N 3.38Å; F453-T456 PolarHBondContact O-OG1 2.92Å; R454-T456 PolarHBondContact O-N 3.36Å; R454-T456 VanDerWaalsContact O-N 3.15Å; T456-N458 PolarHBondContact O-N 3.21Å; T456-S459 PolarHBondContact O-N 3.3Å; T456-S459 VanDerWaalsContact OG1-CB 3.27Å; T456-S459 WeakPolarHBondContact OG1-CB 3.44Å; T456-S459 PolarHBondContact OG1-N 2.66Å; T456-M460 PolarHBondContact O-N 3.48Å
457	Y	88.2	Confident	87	Confident	72 Å²	72	49.6 Å²	49.6	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-58.1	-35.9	176.9	-171.8	-85.1	0	0	0	112.5	W250 Q253 N254 M460 N461	W250-Y457 HydrophobicContact CB-CD2 4.31Å; W250-Y457 HydrophobicContact CB-CE2 4.1Å; W250-Y457 AromaticContact CD1-CE2 3.91Å; W250-Y457 AromaticContact CD1-CZ 3.95Å; W250-Y457 HydrophobicContact CG-CE2 4.38Å; Q253-Y457 PolarHBondContact OE1-OH 2.92Å; N254-Y457 PolarHBondContact ND2-OH 3.15Å; Y457-M460 WeakPolarHBondContact O-CB 3.43Å; Y457-M460 PolarHBondContact O-N 3.48Å; Y457-N461 WeakPolarHBondContact CD1-ND2 2.95Å; Y457-N461 WeakPolarHBondContact CE1-ND2 3.46Å; Y457-N461 PolarHBondContact O-N 2.89Å
458	N	90.2	Very high	87.4	Confident	97 Å²	97	45.8 Å²	45.8	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-69.4	-43.6	177.2	-171.8	55.6	0	0	0	112.4	T456 M460 N461 N462	T456-N458 PolarHBondContact O-N 3.21Å; N458-M460 VanDerWaalsContact C-N 3.29Å; N458-M460 PolarHBondContact O-N 3.4Å; N458-N461 WeakPolarHBondContact O-CB 2.94Å; N458-N461 PolarHBondContact O-N 3.39Å; N458-N462 WeakPolarHBondContact O-CB 3.5Å; N458-N462 VanDerWaalsContact O-CG 3.26Å; N458-N462 PolarHBondContact O-N 2.87Å; N458-N462 PolarHBondContact O-ND2 2.89Å
459	S	90.3	Very high	87.9	Confident	5 Å²	5	45.2 Å²	45.2	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-43.3	172	167.3	0	0	0	0	111.3	S448 F453 R454 T456 N461 N462 A463	S448-S459 VanDerWaalsContact O-CB 3.26Å; S448-S459 WeakPolarHBondContact O-CB 3.19Å; S448-S459 PolarHBondContact O-OG 3.29Å; S448-S459 VanDerWaalsContact O-OG 3.1Å; F453-S459 VanDerWaalsContact O-CB 3.3Å; F453-S459 WeakPolarHBondContact O-CB 3.05Å; R454-S459 WeakPolarHBondContact CA-OG 3.24Å; R454-S459 VanDerWaalsContact O-CB 3.28Å; R454-S459 WeakPolarHBondContact O-CB 3.34Å; R454-S459 PolarHBondContact O-OG 2.75Å; T456-S459 PolarHBondContact O-N 3.3Å; T456-S459 VanDerWaalsContact OG1-CB 3.27Å; T456-S459 WeakPolarHBondContact OG1-CB 3.44Å; T456-S459 PolarHBondContact OG1-N 2.66Å; S459-N461 PolarHBondContact O-N 2.77Å; S459-N462 PolarHBondContact O-N 2.79Å; S459-A463 WeakPolarHBondContact O-CB 3.23Å; S459-A463 PolarHBondContact O-N 3.39Å
460	M	90.1	Very high	88.6	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-49.2	177.1	-167.3	63.8	65.5	0	0	112.2	F215 F247 W250 T456 Y457 N458 N462 A463 I464	F215-M460 HydrophobicContact CB-CE 3.89Å; F215-M460 HydrophobicContact CB-SD 3.43Å; F215-M460 WeakPolarHBondContact CB-SD 3.23Å; F215-M460 HydrophobicContact CD1-SD 4.3Å; F215-M460 HydrophobicContact CG-SD 3.87Å; F247-M460 HydrophobicContact CB-CE 3.7Å; F247-M460 HydrophobicContact CB-SD 4.3Å; F247-M460 HydrophobicContact CD2-CE 4.16Å; F247-M460 HydrophobicContact CD2-CG 4.22Å; F247-M460 HydrophobicContact CD2-SD 3.61Å; F247-M460 HydrophobicContact CE2-SD 4.46Å; F247-M460 HydrophobicContact CG-CE 4.33Å; F247-M460 HydrophobicContact CG-SD 4.33Å; W250-M460 HydrophobicContact CB-CG 3.94Å; W250-M460 HydrophobicContact CD2-CG 3.95Å; W250-M460 HydrophobicContact CG-CB 4.23Å; W250-M460 HydrophobicContact CG-CG 3.56Å; T456-M460 PolarHBondContact O-N 3.48Å; Y457-M460 WeakPolarHBondContact O-CB 3.43Å; Y457-M460 PolarHBondContact O-N 3.48Å; N458-M460 VanDerWaalsContact C-N 3.29Å; N458-M460 PolarHBondContact O-N 3.4Å; M460-N462 VanDerWaalsContact C-N 3.33Å; M460-N462 PolarHBondContact O-N 3.49Å; M460-A463 PolarHBondContact O-N 3.45Å; M460-I464 HydrophobicContact CG-CD1 4Å; M460-I464 WeakPolarHBondContact O-CG1 3.3Å; M460-I464 PolarHBondContact O-N 3.25Å; M460-I464 VanDerWaalsContact O-N 3.1Å; M460-I464 HydrophobicContact SD-CD1 4.11Å
461	N	92.4	Very high	89.6	Confident	21 Å²	21	41.7 Å²	41.7	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-52.9	-50.7	173	-90.7	-40.5	0	0	0	111.6	W250 Y457 N458 S459 I464 V465	W250-N461 VanDerWaalsContact NE1-CG 3.31Å; W250-N461 PolarHBondContact NE1-OD1 2.93Å; Y457-N461 WeakPolarHBondContact CD1-ND2 2.95Å; Y457-N461 WeakPolarHBondContact CE1-ND2 3.46Å; Y457-N461 PolarHBondContact O-N 2.89Å; N458-N461 WeakPolarHBondContact O-CB 2.94Å; N458-N461 PolarHBondContact O-N 3.39Å; S459-N461 PolarHBondContact O-N 2.77Å; N461-I464 PolarHBondContact O-N 2.88Å; N461-V465 WeakPolarHBondContact O-CB 3.3Å; N461-V465 VanDerWaalsContact O-CG2 3.23Å; N461-V465 WeakPolarHBondContact O-CG2 3.37Å; N461-V465 PolarHBondContact O-N 3.39Å
462	N	93.3	Very high	90.6	Very high	26 Å²	26	38.4 Å²	38.4	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-43.6	-176.5	-73.3	-22.3	0	0	0	112.4	R445 S448 N458 S459 M460 V465 D466	R445-N462 HydrophobicContact CB-CB 4.09Å; R445-N462 HydrophobicContact CG-CB 3.71Å; S448-N462 PolarHBondContact OG-ND2 3.32Å; N458-N462 WeakPolarHBondContact O-CB 3.5Å; N458-N462 VanDerWaalsContact O-CG 3.26Å; N458-N462 PolarHBondContact O-N 2.87Å; N458-N462 PolarHBondContact O-ND2 2.89Å; S459-N462 PolarHBondContact O-N 2.79Å; M460-N462 VanDerWaalsContact C-N 3.33Å; M460-N462 PolarHBondContact O-N 3.49Å; N462-V465 PolarHBondContact O-N 2.91Å; N462-D466 PolarHBondContact O-N 2.86Å
463	A	93.1	Very high	91.8	Very high	20 Å²	20	31.1 Å²	31.1	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-38.3	-178.2	0	0	0	0	0	112.2	F215 S459 M460 D466 V467	F215-A463 HydrophobicContact CD1-CB 4.12Å; F215-A463 HydrophobicContact CE1-CB 3.42Å; F215-A463 VanDerWaalsContact CE1-CB 3.42Å; F215-A463 HydrophobicContact CZ-CB 3.97Å; S459-A463 WeakPolarHBondContact O-CB 3.23Å; S459-A463 PolarHBondContact O-N 3.39Å; M460-A463 PolarHBondContact O-N 3.45Å; A463-D466 PolarHBondContact O-N 3.31Å; A463-V467 WeakPolarHBondContact O-CG2 3.46Å; A463-V467 PolarHBondContact O-N 2.63Å
464	I	94.7	Very high	92.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-71.8	-37	176.5	-63.4	171.6	0	0	0	110.9	F215 F247 W250 F327 M460 N461 D466 V467 I468	F215-I464 HydrophobicContact CD2-CG1 4.08Å; F215-I464 HydrophobicContact CE2-CG1 3.87Å; F215-I464 HydrophobicContact CZ-CG1 4.32Å; F247-I464 HydrophobicContact CD2-CD1 4.49Å; F247-I464 HydrophobicContact CE2-CD1 4.09Å; W250-I464 HydrophobicContact CD2-CD1 3.72Å; W250-I464 HydrophobicContact CE3-CD1 3.45Å; W250-I464 VanDerWaalsContact CE3-CD1 3.45Å; W250-I464 HydrophobicContact CH2-CB 4.2Å; W250-I464 HydrophobicContact CH2-CD1 3.34Å; W250-I464 HydrophobicContact CH2-CG1 4.33Å; W250-I464 HydrophobicContact CH2-CG2 3.75Å; W250-I464 HydrophobicContact CZ2-CB 4.17Å; W250-I464 HydrophobicContact CZ2-CD1 3.55Å; W250-I464 HydrophobicContact CZ2-CG1 4.44Å; W250-I464 HydrophobicContact CZ2-CG2 4.13Å; W250-I464 HydrophobicContact CZ3-CD1 3.27Å; F327-I464 HydrophobicContact CE1-CG2 4.03Å; F327-I464 HydrophobicContact CZ-CB 4.24Å; F327-I464 HydrophobicContact CZ-CG2 3.78Å; M460-I464 HydrophobicContact CG-CD1 4Å; M460-I464 WeakPolarHBondContact O-CG1 3.3Å; M460-I464 PolarHBondContact O-N 3.25Å; M460-I464 VanDerWaalsContact O-N 3.1Å; M460-I464 HydrophobicContact SD-CD1 4.11Å; N461-I464 PolarHBondContact O-N 2.88Å; I464-D466 VanDerWaalsContact C-N 3.32Å; I464-D466 PolarHBondContact O-N 3.47Å; I464-V467 PolarHBondContact O-N 2.96Å; I464-I468 HydrophobicContact CG2-CD1 3.98Å; I464-I468 HydrophobicContact CG2-CG1 4.5Å; I464-I468 WeakPolarHBondContact O-CG1 3.43Å; I464-I468 PolarHBondContact O-N 2.95Å
465	V	96	Very high	93.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-42.7	170.5	168.1	0	0	0	0	111.1	F327 L330 T334 N461 N462 I468 A469	F327-V465 HydrophobicContact CE2-CG2 3.76Å; F327-V465 HydrophobicContact CZ-CG2 4Å; L330-V465 HydrophobicContact CD2-CG2 3.8Å; L330-V465 HydrophobicContact CG-CG2 3.91Å; T334-V465 HydrophobicContact CG2-CG1 3.93Å; T334-V465 WeakPolarHBondContact OG1-CG1 3.26Å; N461-V465 WeakPolarHBondContact O-CB 3.3Å; N461-V465 VanDerWaalsContact O-CG2 3.23Å; N461-V465 WeakPolarHBondContact O-CG2 3.37Å; N461-V465 PolarHBondContact O-N 3.39Å; N462-V465 PolarHBondContact O-N 2.91Å; V465-I468 PolarHBondContact O-N 3.28Å; V465-A469 VanDerWaalsContact O-CB 3.27Å; V465-A469 WeakPolarHBondContact O-CB 3.45Å; V465-A469 PolarHBondContact O-N 3.15Å
466	D	96.5	Very high	94.4	Very high	16 Å²	16	22.7 Å²	22.7	9%	0.086	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176.1	-80.6	-27.6	0	0	0	112.3	Y418 A420 R445 N462 A463 I464 I468 A469 L470	Y418-D466 PolarHBondContact OH-OD1 2.87Å; A420-D466 HydrophobicContact CB-CB 3.99Å; R445-D466 IonicContact CZ-OD1 3.36Å; R445-D466 IonicContact NE-OD1 3.47Å; R445-D466 PolarHBondContact NE-OD1 3.11Å; R445-D466 IonicContact NE-OD2 3.52Å; R445-D466 IonicContact NH2-OD1 2.79Å; R445-D466 PolarHBondContact NH2-OD1 3.47Å; N462-D466 PolarHBondContact O-N 2.86Å; A463-D466 PolarHBondContact O-N 3.31Å; I464-D466 VanDerWaalsContact C-N 3.32Å; I464-D466 PolarHBondContact O-N 3.47Å; D466-I468 PolarHBondContact O-N 3.29Å; D466-A469 PolarHBondContact O-N 2.89Å; D466-L470 WeakPolarHBondContact O-CB 3.3Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.65Å
467	V	97.3	Very high	95	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-48	173.8	166	0	0	0	0	111.6	F215 A463 I464 A469 L470 S471 I484 L487 A488 L491	F215-V467 HydrophobicContact CE2-CG2 4.14Å; F215-V467 HydrophobicContact CZ-CG2 3.71Å; A463-V467 WeakPolarHBondContact O-CG2 3.46Å; A463-V467 PolarHBondContact O-N 2.63Å; I464-V467 PolarHBondContact O-N 2.96Å; V467-A469 VanDerWaalsContact C-N 3.35Å; V467-L470 PolarHBondContact O-N 3.29Å; V467-S471 PolarHBondContact O-N 3.2Å; V467-I484 HydrophobicContact CG2-CG2 3.58Å; V467-L487 HydrophobicContact CG1-CB 4.31Å; V467-L487 HydrophobicContact CG1-CD2 3.94Å; V467-L487 HydrophobicContact CG1-CG 3.83Å; V467-A488 HydrophobicContact CG1-CB 4.31Å; V467-L491 HydrophobicContact CG1-CD1 3.76Å
468	I	97.4	Very high	95.3	Very high	24 Å²	24	16.7 Å²	16.7	12%	0.123	9%	0.091	C	C	.	.	H	α-helix	trans	-67.7	-37.8	179.7	-65.3	169.8	0	0	0	110.6	F327 I331 I464 V465 D466 S471 M472	F327-I468 HydrophobicContact CE1-CD1 4.12Å; F327-I468 HydrophobicContact CZ-CD1 4.45Å; I331-I468 HydrophobicContact CD1-CD1 3.51Å; I331-I468 HydrophobicContact CG1-CD1 3.96Å; I331-I468 HydrophobicContact CG2-CG2 3.63Å; I464-I468 HydrophobicContact CG2-CD1 3.98Å; I464-I468 HydrophobicContact CG2-CG1 4.5Å; I464-I468 WeakPolarHBondContact O-CG1 3.43Å; I464-I468 PolarHBondContact O-N 2.95Å; V465-I468 PolarHBondContact O-N 3.28Å; D466-I468 PolarHBondContact O-N 3.29Å; I468-S471 PolarHBondContact O-N 3.04Å; I468-S471 PolarHBondContact O-OG 3.38Å; I468-M472 HydrophobicContact CG2-CG 4.41Å; I468-M472 VanDerWaalsContact O-CB 3.31Å; I468-M472 WeakPolarHBondContact O-CB 3.42Å; I468-M472 WeakPolarHBondContact O-CG 3.13Å; I468-M472 PolarHBondContact O-N 2.73Å; I468-M472 VanDerWaalsContact O-N 3.16Å
469	A	97.4	Very high	95.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-65.1	-43.7	176	0	0	0	0	0	111.9	T334 L335 F338 Y418 V465 D466 V467 M472 T473	T334-A469 HydrophobicContact CG2-CB 3.98Å; L335-A469 HydrophobicContact CD2-CB 4.47Å; F338-A469 HydrophobicContact CE1-CB 4.03Å; F338-A469 HydrophobicContact CZ-CB 4.35Å; F338-A469 WeakPolarHBondContact CZ-O 3.43Å; Y418-A469 HydrophobicContact CD1-CB 4.28Å; Y418-A469 HydrophobicContact CD2-CB 4.47Å; Y418-A469 HydrophobicContact CE1-CB 3.55Å; Y418-A469 HydrophobicContact CE2-CB 3.76Å; Y418-A469 VanDerWaalsContact OH-CB 3.24Å; Y418-A469 WeakPolarHBondContact OH-CB 3.43Å; V465-A469 VanDerWaalsContact O-CB 3.27Å; V465-A469 WeakPolarHBondContact O-CB 3.45Å; V465-A469 PolarHBondContact O-N 3.15Å; D466-A469 PolarHBondContact O-N 2.89Å; V467-A469 VanDerWaalsContact C-N 3.35Å; A469-M472 PolarHBondContact O-N 3.05Å; A469-M472 VanDerWaalsContact O-N 3.15Å; A469-T473 WeakPolarHBondContact O-CG2 3.3Å; A469-T473 PolarHBondContact O-N 3.43Å
470	L	98.2	Very high	95.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.7	-46	174.4	-72.8	166.9	0	0	0	111.8	H349 Y418 A420 D466 V467 M472 T473 L476 A488	H349-L470 HydrophobicContact CB-CD1 3.82Å; H349-L470 HydrophobicContact CB-CD2 4.22Å; Y418-L470 HydrophobicContact CD1-CD2 3.98Å; Y418-L470 HydrophobicContact CD1-CG 4.31Å; Y418-L470 HydrophobicContact CE1-CD2 4.41Å; Y418-L470 HydrophobicContact CE1-CG 4.3Å; A420-L470 HydrophobicContact CB-CD1 3.78Å; A420-L470 HydrophobicContact CB-CD2 4.09Å; A420-L470 HydrophobicContact CB-CG 4.04Å; D466-L470 WeakPolarHBondContact O-CB 3.3Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.65Å; V467-L470 PolarHBondContact O-N 3.29Å; L470-M472 PolarHBondContact O-N 3.18Å; L470-M472 VanDerWaalsContact O-N 3.17Å; L470-T473 WeakPolarHBondContact O-CB 3.27Å; L470-T473 PolarHBondContact O-N 3.27Å; L470-T473 VanDerWaalsContact O-N 3.14Å; L470-T473 PolarHBondContact O-OG1 3.49Å; L470-L476 HydrophobicContact CB-CD1 4.1Å; L470-L476 HydrophobicContact CD2-CD1 3.88Å; L470-L476 HydrophobicContact CG-CD1 4.47Å; L470-A488 HydrophobicContact CB-CB 3.74Å; L470-A488 HydrophobicContact CD1-CB 4.34Å
471	S	97.8	Very high	94.9	Very high	7 Å²	7	11.9 Å²	11.9	5%	0.049	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-21.3	178.2	76.4	0	0	0	0	113.1	V467 I468 A488 R495	V467-S471 PolarHBondContact O-N 3.2Å; I468-S471 PolarHBondContact O-N 3.04Å; I468-S471 PolarHBondContact O-OG 3.38Å; S471-A488 WeakPolarHBondContact CA-O 3.37Å; S471-A488 WeakPolarHBondContact CB-O 3.42Å; S471-R495 VanDerWaalsContact O-CD 3.25Å; S471-R495 WeakPolarHBondContact O-CD 3.08Å; S471-R495 PolarHBondContact O-NH1 3.18Å
472	M	97	Very high	94.7	Very high	39 Å²	39	11 Å²	11	19%	0.192	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.8	-179.9	-70.3	-65.1	-92.7	0	0	114.1	L335 F338 K339 I468 A469 L470 R495	L335-M472 HydrophobicContact CD1-CE 3.79Å; L335-M472 HydrophobicContact CD1-CG 4.17Å; L335-M472 HydrophobicContact CD2-CB 3.5Å; L335-M472 HydrophobicContact CD2-CG 3.8Å; F338-M472 HydrophobicContact CZ-CB 4.35Å; K339-M472 WeakPolarHBondContact CE-O 3.49Å; K339-M472 VanDerWaalsContact NZ-CE 3.33Å; K339-M472 PolarHBondContact NZ-O 3.19Å; K339-M472 VanDerWaalsContact NZ-O 3.09Å; I468-M472 HydrophobicContact CG2-CG 4.41Å; I468-M472 VanDerWaalsContact O-CB 3.31Å; I468-M472 WeakPolarHBondContact O-CB 3.42Å; I468-M472 WeakPolarHBondContact O-CG 3.13Å; I468-M472 PolarHBondContact O-N 2.73Å; I468-M472 VanDerWaalsContact O-N 3.16Å; A469-M472 PolarHBondContact O-N 3.05Å; A469-M472 VanDerWaalsContact O-N 3.15Å; L470-M472 PolarHBondContact O-N 3.18Å; L470-M472 VanDerWaalsContact O-N 3.17Å; M472-R495 VanDerWaalsContact CA-NH1 3.27Å; M472-R495 PolarHBondContact O-NH1 3.19Å; M472-R495 PolarHBondContact O-NH2 2.96Å; M472-R495 VanDerWaalsContact SD-CD 3.52Å; M472-R495 HydrophobicContact SD-CG 4.17Å
473	T	97.1	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-81.8	167	172.6	64.1	0	0	0	0	113	F338 V345 G347 A469 L470 F475 M492 R495	F338-T473 HydrophobicContact CE2-CG2 4.16Å; F338-T473 HydrophobicContact CZ-CG2 4.46Å; V345-T473 HydrophobicContact CG1-CG2 4.31Å; V345-T473 WeakPolarHBondContact O-CB 3.26Å; G347-T473 WeakPolarHBondContact CA-OG1 3.4Å; G347-T473 PolarHBondContact N-OG1 3.23Å; A469-T473 WeakPolarHBondContact O-CG2 3.3Å; A469-T473 PolarHBondContact O-N 3.43Å; L470-T473 WeakPolarHBondContact O-CB 3.27Å; L470-T473 PolarHBondContact O-N 3.27Å; L470-T473 VanDerWaalsContact O-N 3.14Å; L470-T473 PolarHBondContact O-OG1 3.49Å; T473-F475 PolarHBondContact OG1-O 2.98Å; T473-M492 WeakPolarHBondContact O-CE 3.3Å; T473-R495 PolarHBondContact O-NH1 3.37Å
474	D	95.6	Very high	94.4	Very high	52 Å²	52	11.1 Å²	11.1	28%	0.278	6%	0.059	S	C	.	.	S	Bend	trans	-84.6	-19.4	-177.2	-58.7	-77.7	0	0	0	113.3	P344 V345 F375	P344-D474 VanDerWaalsContact CA-OD2 3.27Å; P344-D474 WeakPolarHBondContact CA-OD2 3.13Å; P344-D474 HydrophobicContact CB-CB 4.37Å; V345-D474 PolarHBondContact N-OD2 3.43Å; V345-D474 PolarHBondContact O-N 3.36Å; F375-D474 HydrophobicContact CZ-CB 4.28Å
475	F	96.7	Very high	94.4	Very high	24 Å²	24	11 Å²	11	11%	0.105	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.6	175.2	-166.5	-107.2	0	0	0	109.6	V346 G347 F375 T473 V477 L505 H507	V346-F475 CarbonylContact C-O 3.49Å; V346-F475 WeakPolarHBondContact CA-O 3.49Å; V346-F475 HydrophobicContact CG1-CB 4.35Å; V346-F475 HydrophobicContact CG1-CD1 4.12Å; V346-F475 WeakPolarHBondContact CG1-O 3.4Å; V346-F475 HydrophobicContact CG2-CB 4.3Å; G347-F475 PolarHBondContact N-O 2.94Å; F375-F475 HydrophobicContact CB-CD1 4.06Å; F375-F475 HydrophobicContact CB-CE1 4.37Å; F375-F475 HydrophobicContact CB-CG 4.46Å; F375-F475 HydrophobicContact CD1-CB 4.34Å; F375-F475 HydrophobicContact CD2-CB 3.63Å; F375-F475 HydrophobicContact CD2-CD1 4Å; F375-F475 AromaticContact CD2-CD2 3.77Å; F375-F475 HydrophobicContact CD2-CD2 3.77Å; F375-F475 HydrophobicContact CD2-CE2 4.44Å; F375-F475 AromaticContact CD2-CG 3.53Å; F375-F475 HydrophobicContact CD2-CG 3.53Å; F375-F475 HydrophobicContact CE1-CB 4.18Å; F375-F475 HydrophobicContact CE2-CB 3.51Å; F375-F475 HydrophobicContact CE2-CD2 4.02Å; F375-F475 AromaticContact CE2-CG 3.87Å; F375-F475 HydrophobicContact CE2-CG 3.87Å; F375-F475 HydrophobicContact CG-CB 4.05Å; F375-F475 HydrophobicContact CG-CD1 4.09Å; F375-F475 HydrophobicContact CG-CG 4.02Å; F375-F475 HydrophobicContact CZ-CB 3.77Å; T473-F475 PolarHBondContact OG1-O 2.98Å; F475-V477 HydrophobicContact CD1-CG2 3.78Å; F475-V477 HydrophobicContact CE1-CG2 3.73Å; F475-L505 CarbonylContact C-O 3.56Å; F475-L505 WeakPolarHBondContact CA-O 3.39Å; F475-L505 HydrophobicContact CD2-CB 4.36Å; F475-L505 WeakPolarHBondContact CD2-O 3.43Å; F475-L505 VanDerWaalsContact CE2-C 3.49Å; F475-H507 HydrophobicContact CE1-CB 3.98Å; F475-H507 HydrophobicContact CZ-CB 3.89Å
476	L	97.7	Very high	94.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	-179	-175.6	61.1	0	0	0	111.2	G347 L470 C485 A488 M492 L505 C506 H507	G347-L476 CarbonylContact O-C 3.47Å; G347-L476 WeakPolarHBondContact O-CA 3.06Å; L470-L476 HydrophobicContact CB-CD1 4.1Å; L470-L476 HydrophobicContact CD2-CD1 3.88Å; L470-L476 HydrophobicContact CG-CD1 4.47Å; L476-C485 VanDerWaalsContact CD2-SG 3.56Å; L476-A488 HydrophobicContact CD2-CB 4.12Å; L476-M492 HydrophobicContact CB-CE 3.93Å; L476-L505 PolarHBondContact N-O 2.03Å; L476-C506 HydrophobicContact CB-CB 4.16Å; L476-C506 CarbonylContact O-C 3.58Å; L476-C506 VanDerWaalsContact O-CA 3.23Å; L476-C506 WeakPolarHBondContact O-CA 3.44Å; L476-C506 PolarHBondContact O-SG 3.41Å; L476-H507 PolarHBondContact O-N 3.21Å
477	V	97.4	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.5	174	-175.6	0	0	0	0	109.3	V346 G347 V348 H349 Y368 Q371 V372 F475 H507 I509	V346-V477 HydrophobicContact CG1-CG2 3.8Å; G347-V477 PolarHBondContact O-N 3.42Å; V348-V477 VanDerWaalsContact CA-O 3.32Å; V348-V477 WeakPolarHBondContact CA-O 3.41Å; V348-V477 HydrophobicContact CG2-CB 4.4Å; H349-V477 PolarHBondContact N-O 2.83Å; Y368-V477 HydrophobicContact CD1-CG1 4.07Å; Q371-V477 HydrophobicContact CB-CG1 3.96Å; Q371-V477 HydrophobicContact CB-CG2 4.09Å; Q371-V477 HydrophobicContact CG-CG1 4.39Å; V372-V477 HydrophobicContact CG2-CG2 4.26Å; F475-V477 HydrophobicContact CD1-CG2 3.78Å; F475-V477 HydrophobicContact CE1-CG2 3.73Å; V477-H507 VanDerWaalsContact CA-O 3.31Å; V477-H507 WeakPolarHBondContact CA-O 3.36Å; V477-I509 HydrophobicContact CG1-CD1 4.33Å; V477-I509 HydrophobicContact CG1-CG1 4.46Å
478	C	95.1	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-163.5	-174.5	71	0	0	0	0	113.2	H349 F480 C485 H507 S508 I509	H349-C478 HydrophobicContact CB-CB 3.86Å; H349-C478 WeakPolarHBondContact O-CA 3.42Å; C478-F480 WeakPolarHBondContact SG-CD1 3.04Å; C478-F480 VanDerWaalsContact SG-CE1 3.53Å; C478-C485 HydrophobicContact CB-CB 3.55Å; C478-C485 WeakPolarHBondContact CB-SG 3.35Å; C478-C485 WeakPolarHBondContact SG-CB 3.15Å; C478-C485 CovalentContact SG-SG 1.98Å; C478-C485 PolarHBondContact SG-SG 3.25Å; C478-H507 PolarHBondContact N-O 3.44Å; C478-S508 CarbonylContact O-C 3.57Å; C478-S508 VanDerWaalsContact O-CA 3.26Å; C478-S508 WeakPolarHBondContact O-CA 3.27Å; C478-I509 PolarHBondContact O-N 3.38Å
479	T	90.4	Very high	94	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.025	5%	0.049	C	C	.	.			trans	-114.5	129.9	163.7	47.9	0	0	0	0	110.4	Y368 S481 S482 C485 I509 D510	Y368-T479 WeakPolarHBondContact OH-CG2 3.31Å; T479-S481 VanDerWaalsContact C-N 3.31Å; T479-S482 WeakPolarHBondContact O-CB 3.2Å; T479-S482 PolarHBondContact O-N 3.35Å; T479-C485 WeakPolarHBondContact O-CB 3.39Å; T479-I509 HydrophobicContact CG2-CB 4.39Å; T479-D510 VanDerWaalsContact CA-OD1 3.29Å; T479-D510 WeakPolarHBondContact CA-OD1 3.44Å; T479-D510 VanDerWaalsContact CB-OD2 3.29Å; T479-D510 WeakPolarHBondContact CB-OD2 3.32Å; T479-D510 HydrophobicContact CG2-CB 4.25Å
480	F	87.9	Confident	93.9	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.009	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.2	177.5	-79.3	-4.5	0	0	0	113.5	C478 S482 C485 R486 Y489 C506 S508 D510 F513	C478-F480 WeakPolarHBondContact SG-CD1 3.04Å; C478-F480 VanDerWaalsContact SG-CE1 3.53Å; F480-S482 PolarHBondContact O-N 3.26Å; F480-S482 VanDerWaalsContact O-N 3.1Å; F480-C485 HydrophobicContact CD1-CB 4.25Å; F480-R486 HydrophobicContact CB-CG 4.42Å; F480-R486 HydrophobicContact CD1-CG 4.34Å; F480-R486 HydrophobicContact CG-CG 4.36Å; F480-R486 PolarHBondContact O-NH1 2.84Å; F480-Y489 HydrophobicContact CE1-CG 4.42Å; F480-Y489 HydrophobicContact CE2-CD1 4.42Å; F480-Y489 AromaticContact CZ-CD1 3.8Å; F480-Y489 HydrophobicContact CZ-CD1 3.8Å; F480-Y489 HydrophobicContact CZ-CD2 4.49Å; F480-Y489 HydrophobicContact CZ-CE1 4.32Å; F480-Y489 AromaticContact CZ-CG 3.88Å; F480-Y489 HydrophobicContact CZ-CG 3.88Å; F480-C506 VanDerWaalsContact CE1-SG 3.53Å; F480-C506 HydrophobicContact CZ-CB 4.38Å; F480-C506 WeakPolarHBondContact CZ-SG 3.17Å; F480-S508 WeakPolarHBondContact CB-OG 3.34Å; F480-S508 PolarHBondContact N-OG 3.39Å; F480-D510 PolarHBondContact N-OD1 2.69Å; F480-F513 HydrophobicContact CD2-CB 4.13Å; F480-F513 HydrophobicContact CD2-CD2 4.19Å; F480-F513 HydrophobicContact CE2-CB 3.48Å; F480-F513 VanDerWaalsContact CE2-CB 3.48Å; F480-F513 AromaticContact CE2-CD2 3.47Å; F480-F513 HydrophobicContact CE2-CD2 3.47Å; F480-F513 VanDerWaalsContact CE2-CD2 3.47Å; F480-F513 AromaticContact CE2-CG 3.78Å; F480-F513 HydrophobicContact CE2-CG 3.78Å; F480-F513 HydrophobicContact CZ-CB 4.5Å; F480-F513 HydrophobicContact CZ-CD2 4.29Å
481	S	83.4	Confident	93.9	Very high	8 Å²	8	10.1 Å²	10.1	6%	0.056	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.5	159.9	53.4	0	0	0	0	113	K355 T479 D510	K355-S481 WeakPolarHBondContact CE-O 3.47Å; K355-S481 PolarHBondContact NZ-O 3.11Å; T479-S481 VanDerWaalsContact C-N 3.31Å; S481-D510 WeakPolarHBondContact CB-OD2 3.14Å; S481-D510 PolarHBondContact N-OD2 2.92Å; S481-D510 PolarHBondContact OG-OD2 2.81Å
482	S	88.5	Confident	93.9	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.014	5%	0.05	C	C	.	.	S	Bend	trans	-89.1	120.3	175.9	-172.9	0	0	0	0	113	H349 T479 F480 I484 C485 R486	H349-S482 PolarHBondContact CE1-OG 3.35Å; H349-S482 VanDerWaalsContact CE1-OG 3.28Å; T479-S482 WeakPolarHBondContact O-CB 3.2Å; T479-S482 PolarHBondContact O-N 3.35Å; F480-S482 PolarHBondContact O-N 3.26Å; F480-S482 VanDerWaalsContact O-N 3.1Å; S482-I484 PolarHBondContact O-N 3.36Å; S482-I484 VanDerWaalsContact O-N 3.14Å; S482-I484 WeakPolarHBondContact OG-CB 3.32Å; S482-I484 PolarHBondContact OG-N 3.13Å; S482-C485 PolarHBondContact O-N 3.02Å; S482-R486 PolarHBondContact O-N 2.75Å
483	N	88.2	Confident	93.9	Very high	21 Å²	21	7.9 Å²	7.9	11%	0.112	4%	0.041	C	C	.	.	H	α-helix	trans	-53.2	-32.4	169	-67.8	-58.5	0	0	0	112.4	H220 C485 R486 L487	H220-N483 PolarHBondContact CE1-O 3.44Å; H220-N483 PolarHBondContact ND1-OD1 3.22Å; N483-C485 PolarHBondContact O-N 3.12Å; N483-R486 PolarHBondContact O-N 3.3Å; N483-R486 PolarHBondContact OD1-NH2 2.94Å; N483-L487 VanDerWaalsContact O-CB 3.32Å; N483-L487 WeakPolarHBondContact O-CB 3.49Å; N483-L487 PolarHBondContact O-N 3.3Å
484	I	92.1	Very high	93.9	Very high	27 Å²	27	9.9 Å²	9.9	14%	0.138	5%	0.053	C	C	.	.	H	α-helix	trans	-60.4	-46.2	178	-52.3	-57.9	0	0	0	111.1	F215 H349 V467 S482 A488	F215-I484 HydrophobicContact CD1-CD1 3.9Å; F215-I484 HydrophobicContact CE1-CD1 3.06Å; F215-I484 HydrophobicContact CE1-CG1 4.45Å; F215-I484 HydrophobicContact CE2-CD1 4.06Å; F215-I484 HydrophobicContact CZ-CD1 3.18Å; H349-I484 WeakPolarHBondContact NE2-CG2 3.49Å; V467-I484 HydrophobicContact CG2-CG2 3.58Å; S482-I484 PolarHBondContact O-N 3.36Å; S482-I484 VanDerWaalsContact O-N 3.14Å; S482-I484 WeakPolarHBondContact OG-CB 3.32Å; S482-I484 PolarHBondContact OG-N 3.13Å; I484-A488 PolarHBondContact O-N 2.98Å
485	C	93.8	Very high	93.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-72.2	-41.4	-179.1	-170.4	0	0	0	0	111.7	L476 C478 T479 F480 S482 N483 L487 A488 Y489	L476-C485 VanDerWaalsContact CD2-SG 3.56Å; C478-C485 HydrophobicContact CB-CB 3.55Å; C478-C485 WeakPolarHBondContact CB-SG 3.35Å; C478-C485 WeakPolarHBondContact SG-CB 3.15Å; C478-C485 CovalentContact SG-SG 1.98Å; C478-C485 PolarHBondContact SG-SG 3.25Å; T479-C485 WeakPolarHBondContact O-CB 3.39Å; F480-C485 HydrophobicContact CD1-CB 4.25Å; S482-C485 PolarHBondContact O-N 3.02Å; N483-C485 PolarHBondContact O-N 3.12Å; C485-L487 VanDerWaalsContact C-N 3.31Å; C485-L487 PolarHBondContact O-N 2.71Å; C485-A488 PolarHBondContact O-N 3.03Å; C485-Y489 WeakPolarHBondContact O-CB 3.34Å; C485-Y489 PolarHBondContact O-N 3.39Å
486	R	91.8	Very high	93.8	Very high	6 Å²	6	7.5 Å²	7.5	2%	0.023	4%	0.04	C	C	.	.	H	α-helix	trans	-56.3	-47	174.4	-78	-162.1	-67.3	-98.8	-12.8	111.6	A285 F480 S482 N483 A488 Y489 E490 E516	A285-R486 PolarHBondContact O-NH1 2.9Å; F480-R486 HydrophobicContact CB-CG 4.42Å; F480-R486 HydrophobicContact CD1-CG 4.34Å; F480-R486 HydrophobicContact CG-CG 4.36Å; F480-R486 PolarHBondContact O-NH1 2.84Å; S482-R486 PolarHBondContact O-N 2.75Å; N483-R486 PolarHBondContact O-N 3.3Å; N483-R486 PolarHBondContact OD1-NH2 2.94Å; R486-A488 VanDerWaalsContact C-N 3.35Å; R486-A488 PolarHBondContact O-N 3.5Å; R486-Y489 PolarHBondContact O-N 2.87Å; R486-Y489 VanDerWaalsContact O-N 3.13Å; R486-E490 WeakPolarHBondContact O-CB 3.3Å; R486-E490 VanDerWaalsContact O-CD 3.3Å; R486-E490 VanDerWaalsContact O-CG 3.23Å; R486-E490 WeakPolarHBondContact O-CG 3.27Å; R486-E490 PolarHBondContact O-N 2.91Å; R486-E516 IonicContact NH1-OE1 2.95Å; R486-E516 PolarHBondContact NH1-OE1 3.22Å
487	L	94.8	Very high	93.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-41.7	178.1	-176.2	61	0	0	0	112.2	F215 M219 M223 A317 V467 N483 C485 Y489 E490 L491	F215-L487 HydrophobicContact CE2-CD2 4.1Å; M219-L487 HydrophobicContact CB-CD2 3.98Å; M219-L487 HydrophobicContact CE-CD1 4.4Å; M219-L487 HydrophobicContact CG-CD2 3.94Å; M223-L487 HydrophobicContact SD-CD1 4.1Å; A317-L487 HydrophobicContact CB-CD1 3.87Å; V467-L487 HydrophobicContact CG1-CB 4.31Å; V467-L487 HydrophobicContact CG1-CD2 3.94Å; V467-L487 HydrophobicContact CG1-CG 3.83Å; N483-L487 VanDerWaalsContact O-CB 3.32Å; N483-L487 WeakPolarHBondContact O-CB 3.49Å; N483-L487 PolarHBondContact O-N 3.3Å; C485-L487 VanDerWaalsContact C-N 3.31Å; C485-L487 PolarHBondContact O-N 2.71Å; L487-Y489 VanDerWaalsContact C-N 3.34Å; L487-Y489 PolarHBondContact O-N 2.76Å; L487-E490 WeakPolarHBondContact CA-OE2 3.5Å; L487-E490 PolarHBondContact O-N 3.43Å; L487-L491 HydrophobicContact CD1-CD1 4.43Å; L487-L491 HydrophobicContact CD1-CG 4.49Å; L487-L491 HydrophobicContact CG-CD1 4.26Å; L487-L491 WeakPolarHBondContact O-CB 3.49Å; L487-L491 WeakPolarHBondContact O-CG 3.4Å; L487-L491 PolarHBondContact O-N 3.48Å
488	A	97.4	Very high	93.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-41.5	174.7	0	0	0	0	0	111.9	V467 L470 S471 L476 I484 C485 R486 M492	V467-A488 HydrophobicContact CG1-CB 4.31Å; L470-A488 HydrophobicContact CB-CB 3.74Å; L470-A488 HydrophobicContact CD1-CB 4.34Å; S471-A488 WeakPolarHBondContact CA-O 3.37Å; S471-A488 WeakPolarHBondContact CB-O 3.42Å; L476-A488 HydrophobicContact CD2-CB 4.12Å; I484-A488 PolarHBondContact O-N 2.98Å; C485-A488 PolarHBondContact O-N 3.03Å; R486-A488 VanDerWaalsContact C-N 3.35Å; R486-A488 PolarHBondContact O-N 3.5Å; A488-M492 WeakPolarHBondContact O-CB 3.16Å; A488-M492 PolarHBondContact O-N 3.29Å
489	Y	95.9	Very high	92.9	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-69.2	-39.7	178	176.8	-114.6	0	0	0	113	V310 F480 C485 R486 L487 M492 Q493 T503 C506 F513	V310-Y489 HydrophobicContact CG1-CD1 3.91Å; V310-Y489 HydrophobicContact CG1-CE1 3.66Å; F480-Y489 HydrophobicContact CE1-CG 4.42Å; F480-Y489 HydrophobicContact CE2-CD1 4.42Å; F480-Y489 AromaticContact CZ-CD1 3.8Å; F480-Y489 HydrophobicContact CZ-CD1 3.8Å; F480-Y489 HydrophobicContact CZ-CD2 4.49Å; F480-Y489 HydrophobicContact CZ-CE1 4.32Å; F480-Y489 AromaticContact CZ-CG 3.88Å; F480-Y489 HydrophobicContact CZ-CG 3.88Å; C485-Y489 WeakPolarHBondContact O-CB 3.34Å; C485-Y489 PolarHBondContact O-N 3.39Å; R486-Y489 PolarHBondContact O-N 2.87Å; R486-Y489 VanDerWaalsContact O-N 3.13Å; L487-Y489 VanDerWaalsContact C-N 3.34Å; L487-Y489 PolarHBondContact O-N 2.76Å; Y489-M492 WeakPolarHBondContact O-CB 3.45Å; Y489-M492 PolarHBondContact O-N 2.64Å; Y489-Q493 WeakPolarHBondContact O-CG 3.15Å; Y489-Q493 PolarHBondContact O-N 2.84Å; Y489-Q493 PolarHBondContact O-NE2 3.06Å; Y489-T503 VanDerWaalsContact OH-CA 3.31Å; Y489-T503 WeakPolarHBondContact OH-CA 3.13Å; Y489-T503 PolarHBondContact OH-O 3.49Å; Y489-C506 HydrophobicContact CD2-CB 3.36Å; Y489-C506 HydrophobicContact CE2-CB 3.44Å; Y489-C506 VanDerWaalsContact CE2-CB 3.44Å; Y489-C506 HydrophobicContact CG-CB 4.25Å; Y489-F513 HydrophobicContact CD1-CD2 4.15Å; Y489-F513 HydrophobicContact CD1-CE2 4.04Å; Y489-F513 HydrophobicContact CE1-CD1 4.04Å; Y489-F513 AromaticContact CE1-CD2 3.54Å; Y489-F513 HydrophobicContact CE1-CD2 3.54Å; Y489-F513 AromaticContact CE1-CE1 3.84Å; Y489-F513 HydrophobicContact CE1-CE1 3.84Å; Y489-F513 AromaticContact CE1-CE2 3.34Å; Y489-F513 HydrophobicContact CE1-CE2 3.34Å; Y489-F513 AromaticContact CE1-CG 3.91Å; Y489-F513 HydrophobicContact CE1-CG 3.91Å; Y489-F513 AromaticContact CE1-CZ 3.5Å; Y489-F513 HydrophobicContact CE1-CZ 3.5Å; Y489-F513 VanDerWaalsContact CE1-CZ 3.5Å; Y489-F513 WeakPolarHBondContact OH-CD1 3.26Å; Y489-F513 VanDerWaalsContact OH-CE1 3.24Å; Y489-F513 WeakPolarHBondContact OH-CE1 3.33Å
490	E	95.6	Very high	92.9	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-48.6	173.4	-72.9	154.1	-169.3	0	0	110.6	H220 M223 V310 A313 G314 R486 L487 M492 Q493	H220-E490 IonicContact CD2-OE1 3.09Å; H220-E490 IonicContact CD2-OE2 2.79Å; H220-E490 IonicContact CE1-OE1 3.37Å; H220-E490 IonicContact CE1-OE2 3.89Å; H220-E490 VanDerWaalsContact NE2-CD 3.25Å; H220-E490 IonicContact NE2-OE1 2.6Å; H220-E490 PolarHBondContact NE2-OE1 3.21Å; H220-E490 IonicContact NE2-OE2 3.06Å; H220-E490 PolarHBondContact NE2-OE2 2.89Å; M223-E490 WeakPolarHBondContact CE-OE2 3.25Å; V310-E490 HydrophobicContact CG1-CG 3.88Å; A313-E490 HydrophobicContact CB-CG 3.99Å; G314-E490 WeakPolarHBondContact CA-O 3.49Å; R486-E490 WeakPolarHBondContact O-CB 3.3Å; R486-E490 VanDerWaalsContact O-CD 3.3Å; R486-E490 VanDerWaalsContact O-CG 3.23Å; R486-E490 WeakPolarHBondContact O-CG 3.27Å; R486-E490 PolarHBondContact O-N 2.91Å; L487-E490 WeakPolarHBondContact CA-OE2 3.5Å; L487-E490 PolarHBondContact O-N 3.43Å; E490-M492 VanDerWaalsContact C-N 3.28Å; E490-M492 PolarHBondContact O-N 3.02Å; E490-Q493 VanDerWaalsContact O-CB 3.32Å; E490-Q493 WeakPolarHBondContact O-CB 3.47Å; E490-Q493 PolarHBondContact O-N 3.07Å; E490-Q493 VanDerWaalsContact O-N 3.09Å
491	L	97.8	Very high	93.1	Very high	13 Å²	13	22.2 Å²	22.2	7%	0.068	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-34.6	175.4	-73.8	169.6	0	0	0	112.3	A317 A318 L321 V467 L487 Q493 T494	A317-L491 HydrophobicContact CB-CD2 3.76Å; A317-L491 HydrophobicContact CB-CG 4.19Å; A318-L491 HydrophobicContact CB-CD2 4.46Å; L321-L491 HydrophobicContact CD1-CD1 3.99Å; L321-L491 HydrophobicContact CD1-CD2 4.47Å; V467-L491 HydrophobicContact CG1-CD1 3.76Å; L487-L491 HydrophobicContact CD1-CD1 4.43Å; L487-L491 HydrophobicContact CD1-CG 4.49Å; L487-L491 HydrophobicContact CG-CD1 4.26Å; L487-L491 WeakPolarHBondContact O-CB 3.49Å; L487-L491 WeakPolarHBondContact O-CG 3.4Å; L487-L491 PolarHBondContact O-N 3.48Å; L491-Q493 PolarHBondContact O-N 3.36Å; L491-T494 WeakPolarHBondContact O-CB 3.31Å; L491-T494 WeakPolarHBondContact O-CG2 3.4Å; L491-T494 PolarHBondContact O-N 2.84Å; L491-T494 PolarHBondContact O-OG1 3.45Å
492	M	97.8	Very high	93.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-33.2	175.5	-178.9	-177.2	-75.4	0	0	111.5	T473 L476 A488 Y489 E490 T494 R495 L499 A502 L505	T473-M492 WeakPolarHBondContact O-CE 3.3Å; L476-M492 HydrophobicContact CB-CE 3.93Å; A488-M492 WeakPolarHBondContact O-CB 3.16Å; A488-M492 PolarHBondContact O-N 3.29Å; Y489-M492 WeakPolarHBondContact O-CB 3.45Å; Y489-M492 PolarHBondContact O-N 2.64Å; E490-M492 VanDerWaalsContact C-N 3.28Å; E490-M492 PolarHBondContact O-N 3.02Å; M492-T494 PolarHBondContact O-N 3.06Å; M492-R495 WeakPolarHBondContact O-CB 3.27Å; M492-R495 PolarHBondContact O-N 2.8Å; M492-R495 VanDerWaalsContact O-N 3.15Å; M492-L499 HydrophobicContact CG-CD1 3.83Å; M492-L499 HydrophobicContact SD-CD1 4.43Å; M492-A502 HydrophobicContact CG-CB 3.99Å; M492-A502 HydrophobicContact SD-CB 4.37Å; M492-L505 HydrophobicContact SD-CB 3.97Å
493	Q	96.3	Very high	93.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	178.5	-52.8	-44.7	-58.4	0	0	113.3	H305 V310 Y489 E490 L491 R495 H496 A502	H305-Q493 PolarHBondContact CE1-OE1 2.88Å; H305-Q493 VanDerWaalsContact CE1-OE1 3.28Å; H305-Q493 PolarHBondContact NE2-OE1 3.08Å; V310-Q493 HydrophobicContact CG1-CG 4.03Å; Y489-Q493 WeakPolarHBondContact O-CG 3.15Å; Y489-Q493 PolarHBondContact O-N 2.84Å; Y489-Q493 PolarHBondContact O-NE2 3.06Å; E490-Q493 VanDerWaalsContact O-CB 3.32Å; E490-Q493 WeakPolarHBondContact O-CB 3.47Å; E490-Q493 PolarHBondContact O-N 3.07Å; E490-Q493 VanDerWaalsContact O-N 3.09Å; L491-Q493 PolarHBondContact O-N 3.36Å; Q493-R495 VanDerWaalsContact C-N 3.33Å; Q493-H496 PolarHBondContact O-CD2 3.12Å; Q493-H496 PolarHBondContact O-NE2 2.83Å; Q493-A502 PolarHBondContact NE2-O 2.79Å; Q493-A502 VanDerWaalsContact OE1-C 3.26Å
494	T	97.4	Very high	93.7	Very high	42 Å²	42	25.5 Å²	25.5	26%	0.258	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.6	-179.7	72.6	0	0	0	0	113.5	G314 A318 L491 M492 H496	G314-T494 VanDerWaalsContact O-CG2 3.29Å; G314-T494 WeakPolarHBondContact O-CG2 3.27Å; A318-T494 HydrophobicContact CB-CG2 4.04Å; L491-T494 WeakPolarHBondContact O-CB 3.31Å; L491-T494 WeakPolarHBondContact O-CG2 3.4Å; L491-T494 PolarHBondContact O-N 2.84Å; L491-T494 PolarHBondContact O-OG1 3.45Å; M492-T494 PolarHBondContact O-N 3.06Å; T494-H496 PolarHBondContact O-CE1 3.45Å; T494-H496 PolarHBondContact O-N 3Å; T494-H496 PolarHBondContact O-ND1 3.33Å
495	R	96	Very high	93.7	Very high	21 Å²	21	26.3 Å²	26.3	8%	0.079	13%	0.131	C	C	.	.			trans	-84.4	46.8	-176	-64.9	172.6	63.2	-154.7	-5.1	112.8	S471 M472 T473 M492 Q493 M497 E498 L499	S471-R495 VanDerWaalsContact O-CD 3.25Å; S471-R495 WeakPolarHBondContact O-CD 3.08Å; S471-R495 PolarHBondContact O-NH1 3.18Å; M472-R495 VanDerWaalsContact CA-NH1 3.27Å; M472-R495 PolarHBondContact O-NH1 3.19Å; M472-R495 PolarHBondContact O-NH2 2.96Å; M472-R495 VanDerWaalsContact SD-CD 3.52Å; M472-R495 HydrophobicContact SD-CG 4.17Å; T473-R495 PolarHBondContact O-NH1 3.37Å; M492-R495 WeakPolarHBondContact O-CB 3.27Å; M492-R495 PolarHBondContact O-N 2.8Å; M492-R495 VanDerWaalsContact O-N 3.15Å; Q493-R495 VanDerWaalsContact C-N 3.33Å; R495-M497 VanDerWaalsContact C-N 3.27Å; R495-M497 PolarHBondContact O-N 3.3Å; R495-E498 IonicContact CZ-OE2 3.54Å; R495-E498 VanDerWaalsContact CZ-OE2 3.31Å; R495-E498 IonicContact NE-OE2 3.39Å; R495-E498 PolarHBondContact NE-OE2 2.95Å; R495-E498 VanDerWaalsContact NE-OE2 3.13Å; R495-E498 IonicContact NH2-OE2 2.79Å; R495-E498 PolarHBondContact NH2-OE2 2.05Å; R495-E498 PolarHBondContact O-N 3.48Å; R495-E498 VanDerWaalsContact O-N 3.11Å; R495-L499 HydrophobicContact CB-CD1 4.15Å; R495-L499 HydrophobicContact CB-CG 4.28Å; R495-L499 PolarHBondContact O-N 3.41Å
496	H	93.6	Very high	93.7	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-39.7	-173.8	-40.4	115.5	0	0	0	113	V176 L179 N180 A183 W311 Q315 Q493 T494 E498 G500	V176-H496 WeakPolarHBondContact CG1-O 3.42Å; V176-H496 WeakPolarHBondContact CG2-O 3.29Å; L179-H496 HydrophobicContact CB-CB 3.89Å; N180-H496 HydrophobicContact CB-CB 4.5Å; A183-H496 VanDerWaalsContact CB-CE1 3.41Å; A183-H496 WeakPolarHBondContact CB-CE1 3.39Å; W311-H496 AromaticContact CD1-NE2 3.53Å; W311-H496 AromaticContact CE2-NE2 3.78Å; W311-H496 AromaticContact NE1-CD2 3.55Å; W311-H496 AromaticContact NE1-CE1 3.66Å; W311-H496 AromaticContact NE1-NE2 2.79Å; W311-H496 PolarHBondContact NE1-NE2 2.6Å; Q315-H496 PolarHBondContact NE2-CE1 3.08Å; Q493-H496 PolarHBondContact O-CD2 3.12Å; Q493-H496 PolarHBondContact O-NE2 2.83Å; T494-H496 PolarHBondContact O-CE1 3.45Å; T494-H496 PolarHBondContact O-N 3Å; T494-H496 PolarHBondContact O-ND1 3.33Å; H496-E498 VanDerWaalsContact C-N 3.26Å; H496-E498 PolarHBondContact O-N 3.35Å; H496-G500 VanDerWaalsContact O-CA 3.26Å; H496-G500 WeakPolarHBondContact O-CA 3.4Å; H496-G500 PolarHBondContact O-N 3.48Å
497	M	91.4	Very high	93.7	Very high	126 Å²	126	30.3 Å²	30.3	62%	0.621	15%	0.152	S	C	*	.	H	α-helix	trans	-65.8	-29.1	-177.5	-64.6	-57.2	-64.9	0	0	113	V176 N180 R495	V176-M497 HydrophobicContact CG1-CE 4.26Å; V176-M497 HydrophobicContact CG1-SD 3.64Å; N180-M497 HydrophobicContact CB-SD 3.97Å; R495-M497 VanDerWaalsContact C-N 3.27Å; R495-M497 PolarHBondContact O-N 3.3Å
498	E	89.3	Confident	93.6	Very high	118 Å²	118	31 Å²	31	55%	0.551	16%	0.157	S	C	*	.	H	α-helix	trans	-95.4	-44	-179.1	-65.9	175.3	-154.4	0	0	111.8	K339 R495 H496	K339-E498 IonicContact NZ-OE2 3.31Å; R495-E498 IonicContact CZ-OE2 3.54Å; R495-E498 VanDerWaalsContact CZ-OE2 3.31Å; R495-E498 IonicContact NE-OE2 3.39Å; R495-E498 PolarHBondContact NE-OE2 2.95Å; R495-E498 VanDerWaalsContact NE-OE2 3.13Å; R495-E498 IonicContact NH2-OE2 2.79Å; R495-E498 PolarHBondContact NH2-OE2 2.05Å; R495-E498 PolarHBondContact O-N 3.48Å; R495-E498 VanDerWaalsContact O-N 3.11Å; H496-E498 VanDerWaalsContact C-N 3.26Å; H496-E498 PolarHBondContact O-N 3.35Å
499	L	90.8	Very high	93.2	Very high	41 Å²	41	32.6 Å²	32.6	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-111.7	-16.7	-168	-58.8	-178.9	0	0	0	114	M492 R495 D501 A502 L505	M492-L499 HydrophobicContact CG-CD1 3.83Å; M492-L499 HydrophobicContact SD-CD1 4.43Å; R495-L499 HydrophobicContact CB-CD1 4.15Å; R495-L499 HydrophobicContact CB-CG 4.28Å; R495-L499 PolarHBondContact O-N 3.41Å; L499-D501 PolarHBondContact O-N 3Å; L499-A502 HydrophobicContact CB-CB 4.28Å; L499-A502 HydrophobicContact CD1-CB 4.16Å; L499-L505 HydrophobicContact CB-CD1 3.95Å; L499-L505 HydrophobicContact CD1-CD1 3.84Å; L499-L505 HydrophobicContact CD2-CD1 3.93Å; L499-L505 HydrophobicContact CG-CD1 4.12Å
500	G	91.1	Very high	92.6	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	66.3	-113.5	-168.7	0	0	0	0	0	111.5	L179 H496	L179-G500 WeakPolarHBondContact CD1-O 3.39Å; H496-G500 VanDerWaalsContact O-CA 3.26Å; H496-G500 WeakPolarHBondContact O-CA 3.4Å; H496-G500 PolarHBondContact O-N 3.48Å
501	D	91.4	Very high	91.6	Very high	25 Å²	25	37.5 Å²	37.5	13%	0.134	19%	0.189	C	C	.	.			trans	-96.3	111.5	174.8	172.8	-1.1	0	0	0	108.9	R175 L179 H305 E306 L499 T503	R175-D501 IonicContact NH1-OD2 2.78Å; R175-D501 PolarHBondContact NH1-OD2 3.05Å; R175-D501 VanDerWaalsContact NH1-OD2 3.13Å; L179-D501 HydrophobicContact CD1-CB 4.37Å; H305-D501 IonicContact CD2-OD1 3.16Å; H305-D501 IonicContact CE1-OD1 3.7Å; H305-D501 PolarHBondContact CE1-OD1 2.92Å; H305-D501 IonicContact CG-OD1 2.77Å; H305-D501 IonicContact ND1-OD1 2.96Å; H305-D501 IonicContact NE2-OD1 3.97Å; E306-D501 PolarHBondContact N-OD2 2.94Å; L499-D501 PolarHBondContact O-N 3Å; D501-T503 VanDerWaalsContact C-N 3.34Å; D501-T503 WeakPolarHBondContact OD1-CB 3.38Å; D501-T503 PolarHBondContact OD1-N 2.03Å; D501-T503 PolarHBondContact OD1-OG1 3.24Å
502	A	93.5	Very high	90.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.209	C	C	.	.			trans	-93.8	12.9	-173.9	0	0	0	0	0	113.1	M492 Q493 L499 Q504 L505	M492-A502 HydrophobicContact CG-CB 3.99Å; M492-A502 HydrophobicContact SD-CB 4.37Å; Q493-A502 PolarHBondContact NE2-O 2.79Å; Q493-A502 VanDerWaalsContact OE1-C 3.26Å; L499-A502 HydrophobicContact CB-CB 4.28Å; L499-A502 HydrophobicContact CD1-CB 4.16Å; A502-Q504 PolarHBondContact O-N 3.14Å; A502-L505 HydrophobicContact CB-CB 4.45Å; A502-L505 HydrophobicContact CB-CD1 3.97Å; A502-L505 HydrophobicContact CB-CG 4.43Å; A502-L505 PolarHBondContact O-N 2.86Å
503	T	90.5	Very high	88.5	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.025	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.7	-177.2	-58.5	0	0	0	0	112.3	H305 E306 A307 Y489 D501 F513	H305-T503 PolarHBondContact CE1-OG1 3.29Å; H305-T503 PolarHBondContact ND1-OG1 2.86Å; E306-T503 HydrophobicContact CB-CG2 3.87Å; E306-T503 HydrophobicContact CG-CG2 3.94Å; A307-T503 HydrophobicContact CB-CG2 3.59Å; A307-T503 PolarHBondContact N-OG1 2.6Å; Y489-T503 VanDerWaalsContact OH-CA 3.31Å; Y489-T503 WeakPolarHBondContact OH-CA 3.13Å; Y489-T503 PolarHBondContact OH-O 3.49Å; D501-T503 VanDerWaalsContact C-N 3.34Å; D501-T503 WeakPolarHBondContact OD1-CB 3.38Å; D501-T503 PolarHBondContact OD1-N 2.03Å; D501-T503 PolarHBondContact OD1-OG1 3.24Å; T503-F513 HydrophobicContact CG2-CE1 4.2Å
504	Q	88.3	Confident	87	Confident	95 Å²	95	42.6 Å²	42.6	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	9.3	-176.4	-61.2	-60.5	-31.2	0	0	113.7	E306 A502 C506	E306-Q504 PolarHBondContact OE1-NE2 3.25Å; E306-Q504 WeakPolarHBondContact OE2-CG 3.27Å; E306-Q504 PolarHBondContact OE2-NE2 2.89Å; A502-Q504 PolarHBondContact O-N 3.14Å; Q504-C506 VanDerWaalsContact C-N 3.32Å
505	L	93	Very high	85.5	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.225	22%	0.219	C	C	.	.	S	Bend	trans	-96.6	24.8	-177.1	-58.7	-178.2	0	0	0	113	F475 L476 M492 L499 A502	F475-L505 CarbonylContact C-O 3.56Å; F475-L505 WeakPolarHBondContact CA-O 3.39Å; F475-L505 HydrophobicContact CD2-CB 4.36Å; F475-L505 WeakPolarHBondContact CD2-O 3.43Å; F475-L505 VanDerWaalsContact CE2-C 3.49Å; L476-L505 PolarHBondContact N-O 2.03Å; M492-L505 HydrophobicContact SD-CB 3.97Å; L499-L505 HydrophobicContact CB-CD1 3.95Å; L499-L505 HydrophobicContact CD1-CD1 3.84Å; L499-L505 HydrophobicContact CD2-CD1 3.93Å; L499-L505 HydrophobicContact CG-CD1 4.12Å; A502-L505 HydrophobicContact CB-CB 4.45Å; A502-L505 HydrophobicContact CB-CD1 3.97Å; A502-L505 HydrophobicContact CB-CG 4.43Å; A502-L505 PolarHBondContact O-N 2.86Å
506	C	93.9	Very high	83.8	Confident	22 Å²	22	42 Å²	42	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150	175.5	-174.3	0	0	0	0	111.7	L476 F480 Y489 Q504	L476-C506 HydrophobicContact CB-CB 4.16Å; L476-C506 CarbonylContact O-C 3.58Å; L476-C506 VanDerWaalsContact O-CA 3.23Å; L476-C506 WeakPolarHBondContact O-CA 3.44Å; L476-C506 PolarHBondContact O-SG 3.41Å; F480-C506 VanDerWaalsContact CE1-SG 3.53Å; F480-C506 HydrophobicContact CZ-CB 4.38Å; F480-C506 WeakPolarHBondContact CZ-SG 3.17Å; Y489-C506 HydrophobicContact CD2-CB 3.36Å; Y489-C506 HydrophobicContact CE2-CB 3.44Å; Y489-C506 VanDerWaalsContact CE2-CB 3.44Å; Y489-C506 HydrophobicContact CG-CB 4.25Å; Q504-C506 VanDerWaalsContact C-N 3.32Å
507	H	92.4	Very high	82.4	Confident	68 Å²	68	42.1 Å²	42.1	32%	0.315	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.4	168.9	-170.8	83.6	0	0	0	110.6	Q371 F475 L476 V477 C478	Q371-H507 VanDerWaalsContact CD-NE2 3.32Å; Q371-H507 VanDerWaalsContact CG-CD2 3.46Å; Q371-H507 WeakPolarHBondContact CG-CD2 3.29Å; Q371-H507 PolarHBondContact NE2-NE2 3.37Å; F475-H507 HydrophobicContact CE1-CB 3.98Å; F475-H507 HydrophobicContact CZ-CB 3.89Å; L476-H507 PolarHBondContact O-N 3.21Å; V477-H507 VanDerWaalsContact CA-O 3.31Å; V477-H507 WeakPolarHBondContact CA-O 3.36Å; C478-H507 PolarHBondContact N-O 3.44Å
508	S	91.2	Very high	81.1	Confident	15 Å²	15	38.8 Å²	38.8	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.3	174.6	173.9	0	0	0	0	110.2	C478 F480 D510 F511	C478-S508 CarbonylContact O-C 3.57Å; C478-S508 VanDerWaalsContact O-CA 3.26Å; C478-S508 WeakPolarHBondContact O-CA 3.27Å; F480-S508 WeakPolarHBondContact CB-OG 3.34Å; F480-S508 PolarHBondContact N-OG 3.39Å; S508-D510 PolarHBondContact OG-OD1 3.14Å; S508-F511 WeakPolarHBondContact CB-O 3.27Å; S508-F511 PolarHBondContact OG-O 2.85Å
509	I	89.1	Confident	80	Confident	35 Å²	35	37.4 Å²	37.4	18%	0.179	19%	0.191	C	C	.	.	S	Bend	trans	-82.1	-23.6	-175.8	-59.6	177.7	0	0	0	112	H363 E367 Y368 V477 C478 T479	H363-I509 WeakPolarHBondContact ND1-CG2 3.43Å; E367-I509 HydrophobicContact CB-CD1 4.15Å; E367-I509 HydrophobicContact CB-CG2 4.29Å; Y368-I509 HydrophobicContact CD1-CD1 3.26Å; Y368-I509 HydrophobicContact CD1-CG1 4.4Å; Y368-I509 HydrophobicContact CD2-CD1 3.57Å; Y368-I509 HydrophobicContact CE1-CD1 3.46Å; Y368-I509 VanDerWaalsContact CE1-CD1 3.46Å; Y368-I509 HydrophobicContact CE1-CG1 4.44Å; Y368-I509 HydrophobicContact CE2-CD1 3.76Å; Y368-I509 HydrophobicContact CG-CD1 3.29Å; V477-I509 HydrophobicContact CG1-CD1 4.33Å; V477-I509 HydrophobicContact CG1-CG1 4.46Å; C478-I509 PolarHBondContact O-N 3.38Å; T479-I509 HydrophobicContact CG2-CB 4.39Å
510	D	84.4	Confident	78.9	Confident	48 Å²	48	38.8 Å²	38.8	26%	0.257	19%	0.194	S	C	.	.	S	Bend	trans	-101.4	-72.9	-177.7	56.8	-5	0	0	0	112.6	T479 F480 S481 S508	T479-D510 VanDerWaalsContact CA-OD1 3.29Å; T479-D510 WeakPolarHBondContact CA-OD1 3.44Å; T479-D510 VanDerWaalsContact CB-OD2 3.29Å; T479-D510 WeakPolarHBondContact CB-OD2 3.32Å; T479-D510 HydrophobicContact CG2-CB 4.25Å; F480-D510 PolarHBondContact N-OD1 2.69Å; S481-D510 WeakPolarHBondContact CB-OD2 3.14Å; S481-D510 PolarHBondContact N-OD2 2.92Å; S481-D510 PolarHBondContact OG-OD2 2.81Å; S508-D510 PolarHBondContact OG-OD1 3.14Å
511	F	73.4	Confident	78	Confident	61 Å²	61	39 Å²	39	27%	0.268	19%	0.194	S	C	.	.	S	Bend	trans	-100.6	133.6	180	-60	-67	0	0	0	110	S508	S508-F511 WeakPolarHBondContact CB-O 3.27Å; S508-F511 PolarHBondContact OG-O 2.85Å
512	A	68.1	Low	77.7	Confident	59 Å²	59	41 Å²	41	49%	0.488	20%	0.201	S	C	.	.			trans	-66.4	139.6	169.3	0	0	0	0	0	108.8	H514 E515	A512-H514 VanDerWaalsContact C-N 3.3Å; A512-H514 PolarHBondContact O-N 3.11Å; A512-E515 HydrophobicContact CB-CB 4.23Å; A512-E515 WeakPolarHBondContact O-CB 3.4Å; A512-E515 PolarHBondContact O-N 3.02Å
513	F	64.3	Low	77.4	Confident	24 Å²	24	41.2 Å²	41.2	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-48.1	-53.4	178.5	177.2	-128.1	0	0	0	113.1	A307 V310 F480 Y489 T503 E515 E516	A307-F513 HydrophobicContact CB-CE1 3.5Å; A307-F513 HydrophobicContact CB-CZ 3.86Å; V310-F513 HydrophobicContact CB-CE2 4.14Å; V310-F513 HydrophobicContact CB-CZ 3.63Å; V310-F513 HydrophobicContact CG1-CE2 4.05Å; V310-F513 HydrophobicContact CG1-CZ 3.88Å; V310-F513 HydrophobicContact CG2-CE1 4.46Å; V310-F513 HydrophobicContact CG2-CE2 3.51Å; V310-F513 HydrophobicContact CG2-CZ 3.21Å; F480-F513 HydrophobicContact CD2-CB 4.13Å; F480-F513 HydrophobicContact CD2-CD2 4.19Å; F480-F513 HydrophobicContact CE2-CB 3.48Å; F480-F513 VanDerWaalsContact CE2-CB 3.48Å; F480-F513 AromaticContact CE2-CD2 3.47Å; F480-F513 HydrophobicContact CE2-CD2 3.47Å; F480-F513 VanDerWaalsContact CE2-CD2 3.47Å; F480-F513 AromaticContact CE2-CG 3.78Å; F480-F513 HydrophobicContact CE2-CG 3.78Å; F480-F513 HydrophobicContact CZ-CB 4.5Å; F480-F513 HydrophobicContact CZ-CD2 4.29Å; Y489-F513 HydrophobicContact CD1-CD2 4.15Å; Y489-F513 HydrophobicContact CD1-CE2 4.04Å; Y489-F513 HydrophobicContact CE1-CD1 4.04Å; Y489-F513 AromaticContact CE1-CD2 3.54Å; Y489-F513 HydrophobicContact CE1-CD2 3.54Å; Y489-F513 AromaticContact CE1-CE1 3.84Å; Y489-F513 HydrophobicContact CE1-CE1 3.84Å; Y489-F513 AromaticContact CE1-CE2 3.34Å; Y489-F513 HydrophobicContact CE1-CE2 3.34Å; Y489-F513 AromaticContact CE1-CG 3.91Å; Y489-F513 HydrophobicContact CE1-CG 3.91Å; Y489-F513 AromaticContact CE1-CZ 3.5Å; Y489-F513 HydrophobicContact CE1-CZ 3.5Å; Y489-F513 VanDerWaalsContact CE1-CZ 3.5Å; Y489-F513 WeakPolarHBondContact OH-CD1 3.26Å; Y489-F513 VanDerWaalsContact OH-CE1 3.24Å; Y489-F513 WeakPolarHBondContact OH-CE1 3.33Å; T503-F513 HydrophobicContact CG2-CE1 4.2Å; F513-E515 PolarHBondContact O-N 3.49Å; F513-E516 PolarHBondContact O-N 3.27Å
514	H	64.2	Low	77.3	Confident	36 Å²	36	42.1 Å²	42.1	17%	0.167	21%	0.207	C	C	.	.	H	α-helix	trans	-72.1	-9.4	-178.7	-57.2	-64.8	0	0	0	113.1	A512 E516 D517 Y518	A512-H514 VanDerWaalsContact C-N 3.3Å; A512-H514 PolarHBondContact O-N 3.11Å; H514-E516 PolarHBondContact O-N 3.19Å; H514-D517 PolarHBondContact O-N 3.33Å; H514-Y518 HydrophobicContact CB-CD1 4.3Å; H514-Y518 HydrophobicContact CB-CD2 3.76Å; H514-Y518 HydrophobicContact CB-CE1 3.95Å; H514-Y518 HydrophobicContact CB-CE2 3.31Å; H514-Y518 HydrophobicContact CB-CG 4.25Å; H514-Y518 VanDerWaalsContact CB-CZ 3.43Å; H514-Y518 AromaticContact CG-CZ 4Å; H514-Y518 WeakPolarHBondContact O-CB 3.37Å; H514-Y518 WeakPolarHBondContact O-CD2 3.08Å; H514-Y518 PolarHBondContact O-N 3.06Å
515	E	64.6	Low	77.3	Confident	43 Å²	43	37.7 Å²	37.7	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-37.3	176	-162.2	-174.1	150.6	0	0	110.9	A512 F513 K519	A512-E515 HydrophobicContact CB-CB 4.23Å; A512-E515 WeakPolarHBondContact O-CB 3.4Å; A512-E515 PolarHBondContact O-N 3.02Å; F513-E515 PolarHBondContact O-N 3.49Å; E515-K519 VanDerWaalsContact O-CG 3.26Å; E515-K519 WeakPolarHBondContact O-CG 3.1Å; E515-K519 PolarHBondContact O-N 2.71Å; E515-K519 VanDerWaalsContact O-N 3.09Å; E515-K519 VanDerWaalsContact OE1-CE 3.26Å; E515-K519 WeakPolarHBondContact OE1-CE 3.3Å; E515-K519 IonicContact OE1-NZ 3.64Å; E515-K519 PolarHBondContact OE1-NZ 3.15Å
516	E	62.2	Low	77.1	Confident	8 Å²	8	37.2 Å²	37.2	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-47.5	175.1	-65.5	-177.9	175	0	0	110.9	L289 R486 F513 H514 Y518 K519	L289-E516 HydrophobicContact CD1-CB 4.44Å; R486-E516 IonicContact NH1-OE1 2.95Å; R486-E516 PolarHBondContact NH1-OE1 3.22Å; F513-E516 PolarHBondContact O-N 3.27Å; H514-E516 PolarHBondContact O-N 3.19Å; E516-Y518 VanDerWaalsContact C-N 3.34Å; E516-Y518 PolarHBondContact O-N 2.97Å; E516-K519 PolarHBondContact O-N 3.1Å
517	D	62.4	Low	76.7	Confident	7 Å²	7	36.7 Å²	36.7	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-43.8	173.9	-78.8	-29.6	0	0	0	112.4	L289 H514 K519 R520 L521	L289-D517 WeakPolarHBondContact CD1-OD1 3.02Å; H514-D517 PolarHBondContact O-N 3.33Å; D517-K519 PolarHBondContact O-N 3.33Å; D517-R520 WeakPolarHBondContact O-CG 3.37Å; D517-R520 PolarHBondContact O-N 2.86Å; D517-R520 IonicContact OD1-CZ 2.64Å; D517-R520 IonicContact OD1-NE 3.47Å; D517-R520 PolarHBondContact OD1-NE 3.43Å; D517-R520 IonicContact OD1-NH2 2.85Å; D517-R520 PolarHBondContact OD1-NH2 3.02Å; D517-L521 HydrophobicContact CB-CD1 4.22Å; D517-L521 WeakPolarHBondContact O-CB 3.45Å; D517-L521 VanDerWaalsContact O-CD1 3.3Å; D517-L521 WeakPolarHBondContact O-CD1 3.38Å; D517-L521 WeakPolarHBondContact O-CG 3.32Å; D517-L521 PolarHBondContact O-N 2.65Å; D517-L521 VanDerWaalsContact O-N 3.15Å
518	Y	65.7	Low	76.4	Confident	57 Å²	57	37 Å²	37	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-73.5	-28.2	-174.8	-65.1	-21.5	0	0	0	112.9	H514 E516 R520 F523 F543 P584	H514-Y518 HydrophobicContact CB-CD1 4.3Å; H514-Y518 HydrophobicContact CB-CD2 3.76Å; H514-Y518 HydrophobicContact CB-CE1 3.95Å; H514-Y518 HydrophobicContact CB-CE2 3.31Å; H514-Y518 HydrophobicContact CB-CG 4.25Å; H514-Y518 VanDerWaalsContact CB-CZ 3.43Å; H514-Y518 AromaticContact CG-CZ 4Å; H514-Y518 WeakPolarHBondContact O-CB 3.37Å; H514-Y518 WeakPolarHBondContact O-CD2 3.08Å; H514-Y518 PolarHBondContact O-N 3.06Å; E516-Y518 VanDerWaalsContact C-N 3.34Å; E516-Y518 PolarHBondContact O-N 2.97Å; Y518-R520 VanDerWaalsContact C-N 3.28Å; Y518-R520 PolarHBondContact O-N 2.84Å; Y518-F523 HydrophobicContact CD1-CE1 4.01Å; Y518-F523 AromaticContact CD1-CZ 3.43Å; Y518-F523 HydrophobicContact CD1-CZ 3.43Å; Y518-F523 VanDerWaalsContact CD1-CZ 3.43Å; Y518-F523 HydrophobicContact CE1-CE1 4.35Å; Y518-F523 HydrophobicContact CE1-CZ 4.2Å; Y518-F523 HydrophobicContact CG-CE1 4.42Å; Y518-F523 AromaticContact CG-CZ 3.7Å; Y518-F523 HydrophobicContact CG-CZ 3.7Å; Y518-F523 WeakPolarHBondContact O-CE2 2.95Å; Y518-F543 HydrophobicContact CD2-CE1 4.27Å; Y518-F543 HydrophobicContact CG-CE1 4.46Å; Y518-P584 HydrophobicContact CE1-CG 4.41Å
519	K	66.3	Low	76	Confident	89 Å²	89	37 Å²	37	39%	0.387	19%	0.186	S	C	.	.	H	α-helix	trans	-67.1	-30	175.9	-79.4	169.7	-177.3	162.8	0	112.8	H286 E515 E516 D517	H286-K519 PolarHBondContact NE2-NZ 2.76Å; E515-K519 VanDerWaalsContact O-CG 3.26Å; E515-K519 WeakPolarHBondContact O-CG 3.1Å; E515-K519 PolarHBondContact O-N 2.71Å; E515-K519 VanDerWaalsContact O-N 3.09Å; E515-K519 VanDerWaalsContact OE1-CE 3.26Å; E515-K519 WeakPolarHBondContact OE1-CE 3.3Å; E515-K519 IonicContact OE1-NZ 3.64Å; E515-K519 PolarHBondContact OE1-NZ 3.15Å; E516-K519 PolarHBondContact O-N 3.1Å; D517-K519 PolarHBondContact O-N 3.33Å
520	R	66.2	Low	75.7	Confident	69 Å²	69	44.9 Å²	44.9	26%	0.26	22%	0.219	S	C	.	.	H	α-helix	trans	-96.2	-19.7	-177.7	64.9	-174.5	-175.3	108.4	-0.6	114.4	P290 D517 Y518	P290-R520 PolarHBondContact O-NH1 2.91Å; D517-R520 WeakPolarHBondContact O-CG 3.37Å; D517-R520 PolarHBondContact O-N 2.86Å; D517-R520 IonicContact OD1-CZ 2.64Å; D517-R520 IonicContact OD1-NE 3.47Å; D517-R520 PolarHBondContact OD1-NE 3.43Å; D517-R520 IonicContact OD1-NH2 2.85Å; D517-R520 PolarHBondContact OD1-NH2 3.02Å; Y518-R520 VanDerWaalsContact C-N 3.28Å; Y518-R520 PolarHBondContact O-N 2.84Å
521	L	73.7	Confident	75.4	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.246	C	C	.	.	S	Bend	trans	-86.4	141.5	-179	-66.1	168.7	0	0	0	110.7	Y309 D517 F523 P584 R585	Y309-L521 HydrophobicContact CE2-CD2 3.87Å; D517-L521 HydrophobicContact CB-CD1 4.22Å; D517-L521 WeakPolarHBondContact O-CB 3.45Å; D517-L521 VanDerWaalsContact O-CD1 3.3Å; D517-L521 WeakPolarHBondContact O-CD1 3.38Å; D517-L521 WeakPolarHBondContact O-CG 3.32Å; D517-L521 PolarHBondContact O-N 2.65Å; D517-L521 VanDerWaalsContact O-N 3.15Å; L521-F523 HydrophobicContact CB-CE2 4.05Å; L521-F523 VanDerWaalsContact O-CD2 3.3Å; L521-F523 WeakPolarHBondContact O-CD2 3.4Å; L521-F523 VanDerWaalsContact O-CE2 3.26Å; L521-F523 WeakPolarHBondContact O-CE2 3.47Å; L521-P584 HydrophobicContact CB-CB 4.45Å; L521-P584 HydrophobicContact CD1-CB 3.87Å; L521-R585 WeakPolarHBondContact CD2-O 3.4Å
522	K	83.6	Confident	75.5	Confident	67 Å²	67	49 Å²	49	29%	0.291	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	159.6	161.9	-58.9	-166.6	-176.5	-140.6	0	108.8	I539 V540 D541 R585	K522-I539 HydrophobicContact CB-CG2 4.05Å; K522-I539 HydrophobicContact CD-CG2 4.06Å; K522-V540 CarbonylContact C-O 3.54Å; K522-V540 VanDerWaalsContact CA-O 3.32Å; K522-V540 WeakPolarHBondContact CA-O 3.37Å; K522-D541 WeakPolarHBondContact CE-OD1 3.33Å; K522-D541 IonicContact NZ-OD1 3.67Å; K522-D541 PolarHBondContact NZ-OD1 3.2Å; K522-R585 HydrophobicContact CB-CB 4.28Å; K522-R585 WeakPolarHBondContact O-CA 3.31Å; K522-R585 VanDerWaalsContact O-CB 3.26Å; K522-R585 WeakPolarHBondContact O-CB 3.41Å; K522-R585 PolarHBondContact O-N 3.25Å
523	F	87.1	Confident	76.2	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.4	177.3	-70.3	-111.2	0	0	0	111.6	Y518 L521 I539 V540 F543 F582 R583 P584	Y518-F523 HydrophobicContact CD1-CE1 4.01Å; Y518-F523 AromaticContact CD1-CZ 3.43Å; Y518-F523 HydrophobicContact CD1-CZ 3.43Å; Y518-F523 VanDerWaalsContact CD1-CZ 3.43Å; Y518-F523 HydrophobicContact CE1-CE1 4.35Å; Y518-F523 HydrophobicContact CE1-CZ 4.2Å; Y518-F523 HydrophobicContact CG-CE1 4.42Å; Y518-F523 AromaticContact CG-CZ 3.7Å; Y518-F523 HydrophobicContact CG-CZ 3.7Å; Y518-F523 WeakPolarHBondContact O-CE2 2.95Å; L521-F523 HydrophobicContact CB-CE2 4.05Å; L521-F523 VanDerWaalsContact O-CD2 3.3Å; L521-F523 WeakPolarHBondContact O-CD2 3.4Å; L521-F523 VanDerWaalsContact O-CE2 3.26Å; L521-F523 WeakPolarHBondContact O-CE2 3.47Å; F523-I539 CarbonylContact O-C 3.54Å; F523-I539 WeakPolarHBondContact O-CA 3.28Å; F523-V540 HydrophobicContact CB-CB 4.1Å; F523-V540 PolarHBondContact N-O 3.06Å; F523-V540 PolarHBondContact O-N 2.79Å; F523-F543 HydrophobicContact CD1-CD2 4.23Å; F523-F543 HydrophobicContact CD1-CE2 4.45Å; F523-F543 HydrophobicContact CD1-CG 4.33Å; F523-F543 HydrophobicContact CD2-CB 3.49Å; F523-F543 VanDerWaalsContact CD2-CB 3.49Å; F523-F543 HydrophobicContact CD2-CD1 4.44Å; F523-F543 HydrophobicContact CD2-CD2 4.29Å; F523-F543 AromaticContact CD2-CG 3.85Å; F523-F543 HydrophobicContact CD2-CG 3.85Å; F523-F543 HydrophobicContact CE1-CD1 4.1Å; F523-F543 HydrophobicContact CE1-CD2 4.43Å; F523-F543 HydrophobicContact CE1-CE1 4.18Å; F523-F543 HydrophobicContact CE1-CG 4.21Å; F523-F543 HydrophobicContact CE1-CZ 4.42Å; F523-F543 HydrophobicContact CE2-CB 3.52Å; F523-F543 AromaticContact CE2-CD1 3.9Å; F523-F543 HydrophobicContact CE2-CD1 3.9Å; F523-F543 AromaticContact CE2-CG 3.75Å; F523-F543 HydrophobicContact CE2-CG 3.75Å; F523-F543 HydrophobicContact CG-CB 4.2Å; F523-F543 HydrophobicContact CG-CD2 4.17Å; F523-F543 HydrophobicContact CG-CG 4.18Å; F523-F543 HydrophobicContact CZ-CB 4.2Å; F523-F543 AromaticContact CZ-CD1 3.69Å; F523-F543 HydrophobicContact CZ-CD1 3.69Å; F523-F543 HydrophobicContact CZ-CE1 4.14Å; F523-F543 AromaticContact CZ-CG 3.93Å; F523-F543 HydrophobicContact CZ-CG 3.93Å; F523-F582 HydrophobicContact CB-CB 4.08Å; F523-F582 HydrophobicContact CB-CD1 4.48Å; F523-F582 HydrophobicContact CD1-CB 3.87Å; F523-F582 HydrophobicContact CG-CB 4.34Å; F523-R583 CarbonylContact C-O 3.6Å; F523-R583 VanDerWaalsContact CA-O 3.23Å; F523-R583 WeakPolarHBondContact CA-O 3.46Å; F523-P584 HydrophobicContact CD1-CB 4.15Å; F523-P584 VanDerWaalsContact CD1-N 3.29Å; F523-P584 HydrophobicContact CE1-CB 3.73Å; F523-P584 HydrophobicContact CE1-CG 4.25Å; F523-P584 HydrophobicContact CZ-CB 4.03Å
524	D	88.3	Confident	77.3	Confident	24 Å²	24	52.5 Å²	52.5	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.2	168.1	-57.6	-41.1	0	0	0	109.2	I526 F582 R583 R585	D524-I526 PolarHBondContact O-N 2.91Å; D524-F582 WeakPolarHBondContact O-CA 3.4Å; D524-R583 PolarHBondContact N-O 3.08Å; D524-R583 PolarHBondContact O-N 3.11Å; D524-R583 IonicContact OD2-CZ 2.71Å; D524-R583 IonicContact OD2-NE 2.63Å; D524-R583 IonicContact OD2-NH2 3.13Å; D524-R583 PolarHBondContact OD2-NH2 3.22Å; D524-R585 IonicContact OD1-NH1 3.51Å
525	V	89.1	Confident	78.5	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	114.4	165.8	179.2	0	0	0	0	108.8	I527 L534 K535 G537 D538 V540 F582	V525-I527 VanDerWaalsContact CG1-O 3.26Å; V525-I527 WeakPolarHBondContact CG1-O 3.37Å; V525-L534 HydrophobicContact CG1-CB 4.21Å; V525-L534 HydrophobicContact CG2-CB 4.35Å; V525-K535 VanDerWaalsContact CB-O 3.25Å; V525-K535 WeakPolarHBondContact CB-O 3.35Å; V525-K535 WeakPolarHBondContact CG1-O 3.01Å; V525-G537 PolarHBondContact O-N 2.96Å; V525-D538 HydrophobicContact CB-CB 4.26Å; V525-D538 HydrophobicContact CG2-CB 3.88Å; V525-D538 PolarHBondContact N-O 3.09Å; V525-V540 HydrophobicContact CG2-CG2 4.18Å; V525-F582 HydrophobicContact CG2-CD1 4.02Å; V525-F582 HydrophobicContact CG2-CE1 3.69Å
526	I	88.8	Confident	79.7	Confident	33 Å²	33	64 Å²	64	17%	0.169	29%	0.287	C	S	.	.			trans	-102.5	-14.6	179	56.9	162.5	0	0	0	112.8	L10 D524 Y536 K581 R583	L10-I526 HydrophobicContact CD1-CD1 3.79Å; L10-I526 HydrophobicContact CD2-CD1 4.38Å; D524-I526 PolarHBondContact O-N 2.91Å; I526-Y536 VanDerWaalsContact O-CD2 3.25Å; I526-Y536 WeakPolarHBondContact O-CD2 3.47Å; I526-Y536 WeakPolarHBondContact O-CE2 3.5Å; I526-K581 WeakPolarHBondContact CG1-O 3.03Å; I526-K581 PolarHBondContact N-O 3.14Å; I526-R583 HydrophobicContact CD1-CB 4.37Å; I526-R583 HydrophobicContact CG2-CB 3.76Å
527	I	85.9	Confident	80.8	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.056	31%	0.306	C	S	.	.	S	Bend	trans	-133.8	122.4	174	-61.2	172.3	0	0	0	107.8	L10 W58 V525 Y580 K581	L10-I527 HydrophobicContact CD2-CD1 3.95Å; W58-I527 HydrophobicContact CE3-CD1 4.5Å; W58-I527 HydrophobicContact CH2-CD1 3.38Å; W58-I527 HydrophobicContact CH2-CG1 3.85Å; W58-I527 HydrophobicContact CZ2-CD1 3.83Å; W58-I527 HydrophobicContact CZ2-CG1 3.9Å; W58-I527 HydrophobicContact CZ3-CD1 3.79Å; V525-I527 VanDerWaalsContact CG1-O 3.26Å; V525-I527 WeakPolarHBondContact CG1-O 3.37Å; I527-Y580 HydrophobicContact CD1-CD2 3.76Å; I527-Y580 HydrophobicContact CD1-CE2 3.73Å; I527-K581 HydrophobicContact CB-CB 4.07Å; I527-K581 HydrophobicContact CB-CD 4.42Å; I527-K581 HydrophobicContact CB-CG 3.96Å; I527-K581 HydrophobicContact CG2-CD 4.24Å; I527-K581 HydrophobicContact CG2-CG 4.17Å; I527-K581 PolarHBondContact N-O 3.36Å
528	P	86.4	Confident	82.2	Confident	76 Å²	76	67.5 Å²	67.5	49%	0.494	32%	0.316	S	S	.	.			trans	-64.5	150.7	-179.7	26.9	-33.9	0	0	0	111.9	L534	P528-L534 CarbonylContact C-O 3.54Å; P528-L534 VanDerWaalsContact CA-O 3.28Å; P528-L534 WeakPolarHBondContact CA-O 3.34Å; P528-L534 WeakPolarHBondContact CB-O 3.22Å
529	D	83.2	Confident	83.3	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.07	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-127.6	110.8	175.4	-169.2	94.1	0	0	0	109.6	K531 G532 H533 L534 K581	D529-K531 VanDerWaalsContact C-N 3.28Å; D529-K531 PolarHBondContact O-N 3.49Å; D529-K531 WeakPolarHBondContact OD2-CA 3.44Å; D529-K531 WeakPolarHBondContact OD2-CB 3.38Å; D529-K531 PolarHBondContact OD2-N 3.29Å; D529-G532 PolarHBondContact OD2-N 2.86Å; D529-H533 PolarHBondContact O-N 3.09Å; D529-H533 VanDerWaalsContact O-N 3.12Å; D529-L534 HydrophobicContact CB-CB 4.06Å; D529-L534 HydrophobicContact CB-CD1 4.11Å; D529-L534 HydrophobicContact CB-CG 4.26Å; D529-L534 PolarHBondContact N-O 3.03Å; D529-L534 PolarHBondContact O-N 3.35Å; D529-K581 HydrophobicContact CB-CD 4.09Å; D529-K581 IonicContact OD1-NZ 2.8Å; D529-K581 PolarHBondContact OD1-NZ 2.85Å
530	K	82	Confident	84.3	Confident	201 Å²	201	62.9 Å²	62.9	87%	0.874	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.1	-178.4	-69.5	-174.7	178.2	-178.3	0	112.5
531	K	78.7	Confident	85.2	Confident	190 Å²	190	62.8 Å²	62.8	83%	0.826	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-37.6	-174.7	-174.3	-178.6	177.7	-175.9	0	111.7	D529	D529-K531 VanDerWaalsContact C-N 3.28Å; D529-K531 PolarHBondContact O-N 3.49Å; D529-K531 WeakPolarHBondContact OD2-CA 3.44Å; D529-K531 WeakPolarHBondContact OD2-CB 3.38Å; D529-K531 PolarHBondContact OD2-N 3.29Å
532	G	74.4	Confident	85.6	Confident	5 Å²	5	65.2 Å²	65.2	5%	0.052	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	8.3	174.5	0	0	0	0	0	114	D529 L534	D529-G532 PolarHBondContact OD2-N 2.86Å; G532-L534 WeakPolarHBondContact O-CG 3.34Å; G532-L534 PolarHBondContact O-N 2.87Å
533	H	83.6	Confident	85.6	Confident	153 Å²	153	62.4 Å²	62.4	71%	0.708	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.8	-177.5	-58.9	-74.2	0	0	0	114.6	D529	D529-H533 PolarHBondContact O-N 3.09Å; D529-H533 VanDerWaalsContact O-N 3.12Å
534	L	87.3	Confident	85.4	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-92.1	127.8	-178.1	-54.4	179.9	0	0	0	111.2	V525 P528 D529 G532 V553 L555 V577 F582	V525-L534 HydrophobicContact CG1-CB 4.21Å; V525-L534 HydrophobicContact CG2-CB 4.35Å; P528-L534 CarbonylContact C-O 3.54Å; P528-L534 VanDerWaalsContact CA-O 3.28Å; P528-L534 WeakPolarHBondContact CA-O 3.34Å; P528-L534 WeakPolarHBondContact CB-O 3.22Å; D529-L534 HydrophobicContact CB-CB 4.06Å; D529-L534 HydrophobicContact CB-CD1 4.11Å; D529-L534 HydrophobicContact CB-CG 4.26Å; D529-L534 PolarHBondContact N-O 3.03Å; D529-L534 PolarHBondContact O-N 3.35Å; G532-L534 WeakPolarHBondContact O-CG 3.34Å; G532-L534 PolarHBondContact O-N 2.87Å; L534-V553 HydrophobicContact CD1-CG2 4.3Å; L534-L555 HydrophobicContact CD2-CD1 3.77Å; L534-L555 HydrophobicContact CD2-CD2 3.89Å; L534-L555 HydrophobicContact CD2-CG 3.85Å; L534-V577 HydrophobicContact CD1-CG1 4.08Å; L534-V577 HydrophobicContact CD1-CG2 4.35Å; L534-F582 HydrophobicContact CD1-CE1 3.86Å; L534-F582 HydrophobicContact CD1-CZ 3.5Å; L534-F582 VanDerWaalsContact CD1-CZ 3.5Å
535	K	89.6	Confident	85	Confident	146 Å²	146	68.9 Å²	68.9	64%	0.635	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-102.5	155.2	176.2	-60.7	173.5	-174	167.4	0	110.8	V525 G537 D538	V525-K535 VanDerWaalsContact CB-O 3.25Å; V525-K535 WeakPolarHBondContact CB-O 3.35Å; V525-K535 WeakPolarHBondContact CG1-O 3.01Å; K535-G537 PolarHBondContact O-N 2.83Å; K535-D538 WeakPolarHBondContact CB-OD2 3.27Å; K535-D538 PolarHBondContact N-OD2 3Å; K535-D538 WeakPolarHBondContact O-CB 3.38Å; K535-D538 PolarHBondContact O-N 3.41Å
536	Y	88.7	Confident	84.3	Confident	174 Å²	174	72.5 Å²	72.5	68%	0.682	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	128.1	172.9	179.9	-86.8	0	0	0	110.2	I526	I526-Y536 VanDerWaalsContact O-CD2 3.25Å; I526-Y536 WeakPolarHBondContact O-CD2 3.47Å; I526-Y536 WeakPolarHBondContact O-CE2 3.5Å
537	G	86.7	Confident	83.4	Confident	42 Å²	42	73.7 Å²	73.7	43%	0.433	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-7.8	-179.1	0	0	0	0	0	115.2	V525 K535	V525-G537 PolarHBondContact O-N 2.96Å; K535-G537 PolarHBondContact O-N 2.83Å
538	D	90.5	Very high	82.7	Confident	47 Å²	47	75.4 Å²	75.4	25%	0.251	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.5	172.6	-69.3	-10.2	0	0	0	110.6	V525 K535 L555	V525-D538 HydrophobicContact CB-CB 4.26Å; V525-D538 HydrophobicContact CG2-CB 3.88Å; V525-D538 PolarHBondContact N-O 3.09Å; K535-D538 WeakPolarHBondContact CB-OD2 3.27Å; K535-D538 PolarHBondContact N-OD2 3Å; K535-D538 WeakPolarHBondContact O-CB 3.38Å; K535-D538 PolarHBondContact O-N 3.41Å; D538-L555 HydrophobicContact CB-CD2 3.74Å
539	I	89.3	Confident	81.9	Confident	49 Å²	49	72.2 Å²	72.2	25%	0.251	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	-180	-57.2	168.5	0	0	0	109	K522 F523 N556	K522-I539 HydrophobicContact CB-CG2 4.05Å; K522-I539 HydrophobicContact CD-CG2 4.06Å; F523-I539 CarbonylContact O-C 3.54Å; F523-I539 WeakPolarHBondContact O-CA 3.28Å; I539-N556 HydrophobicContact CB-CB 4.24Å; I539-N556 HydrophobicContact CG2-CB 4.18Å; I539-N556 WeakPolarHBondContact O-CB 3.3Å; I539-N556 PolarHBondContact O-N 2.95Å
540	V	88	Confident	81.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	170.6	170.1	0	0	0	0	109.2	K522 F523 V525 T542 F543 V553 K554 L555 F582	K522-V540 CarbonylContact C-O 3.54Å; K522-V540 VanDerWaalsContact CA-O 3.32Å; K522-V540 WeakPolarHBondContact CA-O 3.37Å; F523-V540 HydrophobicContact CB-CB 4.1Å; F523-V540 PolarHBondContact N-O 3.06Å; F523-V540 PolarHBondContact O-N 2.79Å; V525-V540 HydrophobicContact CG2-CG2 4.18Å; V540-T542 WeakPolarHBondContact CG1-O 3.48Å; V540-F543 HydrophobicContact CG1-CB 4.17Å; V540-V553 HydrophobicContact CG1-CB 3.8Å; V540-V553 HydrophobicContact CG1-CG1 4.15Å; V540-V553 HydrophobicContact CG2-CB 4.16Å; V540-K554 CarbonylContact C-O 3.6Å; V540-K554 WeakPolarHBondContact CA-O 3.26Å; V540-L555 HydrophobicContact CG2-CD2 4.01Å; V540-F582 HydrophobicContact CB-CD1 4.49Å; V540-F582 HydrophobicContact CG2-CD1 3.72Å; V540-F582 HydrophobicContact CG2-CE1 3.51Å
541	D	84.3	Confident	81.8	Confident	68 Å²	68	63.9 Å²	63.9	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-34.6	-179.9	-151.6	48.6	0	0	0	112.2	K522 K554 N556	K522-D541 WeakPolarHBondContact CE-OD1 3.33Å; K522-D541 IonicContact NZ-OD1 3.67Å; K522-D541 PolarHBondContact NZ-OD1 3.2Å; D541-K554 PolarHBondContact N-O 3.12Å; D541-N556 HydrophobicContact CB-CB 4.05Å
542	T	83.1	Confident	82.2	Confident	61 Å²	61	55.4 Å²	55.4	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.6	175.6	-49.5	0	0	0	0	109.4	V540 V553 K554 L574	V540-T542 WeakPolarHBondContact CG1-O 3.48Å; T542-V553 CarbonylContact O-C 3.58Å; T542-V553 VanDerWaalsContact O-CA 3.23Å; T542-V553 WeakPolarHBondContact O-CA 3.16Å; T542-K554 PolarHBondContact N-O 3.42Å; T542-K554 PolarHBondContact O-N 3.23Å; T542-L574 HydrophobicContact CG2-CD2 4.2Å
543	F	83.7	Confident	82.9	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.8	174.9	-178.3	-87	0	0	0	110	Y518 F523 V540 N545 A551 V553 A579 F582	Y518-F543 HydrophobicContact CD2-CE1 4.27Å; Y518-F543 HydrophobicContact CG-CE1 4.46Å; F523-F543 HydrophobicContact CD1-CD2 4.23Å; F523-F543 HydrophobicContact CD1-CE2 4.45Å; F523-F543 HydrophobicContact CD1-CG 4.33Å; F523-F543 HydrophobicContact CD2-CB 3.49Å; F523-F543 VanDerWaalsContact CD2-CB 3.49Å; F523-F543 HydrophobicContact CD2-CD1 4.44Å; F523-F543 HydrophobicContact CD2-CD2 4.29Å; F523-F543 AromaticContact CD2-CG 3.85Å; F523-F543 HydrophobicContact CD2-CG 3.85Å; F523-F543 HydrophobicContact CE1-CD1 4.1Å; F523-F543 HydrophobicContact CE1-CD2 4.43Å; F523-F543 HydrophobicContact CE1-CE1 4.18Å; F523-F543 HydrophobicContact CE1-CG 4.21Å; F523-F543 HydrophobicContact CE1-CZ 4.42Å; F523-F543 HydrophobicContact CE2-CB 3.52Å; F523-F543 AromaticContact CE2-CD1 3.9Å; F523-F543 HydrophobicContact CE2-CD1 3.9Å; F523-F543 AromaticContact CE2-CG 3.75Å; F523-F543 HydrophobicContact CE2-CG 3.75Å; F523-F543 HydrophobicContact CG-CB 4.2Å; F523-F543 HydrophobicContact CG-CD2 4.17Å; F523-F543 HydrophobicContact CG-CG 4.18Å; F523-F543 HydrophobicContact CZ-CB 4.2Å; F523-F543 AromaticContact CZ-CD1 3.69Å; F523-F543 HydrophobicContact CZ-CD1 3.69Å; F523-F543 HydrophobicContact CZ-CE1 4.14Å; F523-F543 AromaticContact CZ-CG 3.93Å; F523-F543 HydrophobicContact CZ-CG 3.93Å; V540-F543 HydrophobicContact CG1-CB 4.17Å; F543-N545 HydrophobicContact CE1-CB 3.92Å; F543-A551 HydrophobicContact CD2-CB 4.05Å; F543-A551 HydrophobicContact CE1-CB 4.29Å; F543-A551 HydrophobicContact CE2-CB 3.41Å; F543-A551 VanDerWaalsContact CE2-CB 3.41Å; F543-A551 HydrophobicContact CZ-CB 3.57Å; F543-V553 HydrophobicContact CD2-CG1 3.75Å; F543-V553 HydrophobicContact CE2-CG1 4.27Å; F543-A579 HydrophobicContact CZ-CB 4.19Å; F543-F582 HydrophobicContact CD2-CB 4.21Å; F543-F582 HydrophobicContact CD2-CD2 4.31Å; F543-F582 HydrophobicContact CD2-CG 4.1Å; F543-F582 HydrophobicContact CE2-CB 3.77Å; F543-F582 AromaticContact CE2-CD2 3.66Å; F543-F582 HydrophobicContact CE2-CD2 3.66Å; F543-F582 AromaticContact CE2-CG 3.76Å; F543-F582 HydrophobicContact CE2-CG 3.76Å
544	K	83	Confident	83.2	Confident	108 Å²	108	51 Å²	51	47%	0.47	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.8	174.9	-178.8	178.8	-179.4	177.2	0	109.9	A551 S552	K544-A551 CarbonylContact O-C 3.57Å; K544-A551 WeakPolarHBondContact O-CA 3.23Å; K544-S552 PolarHBondContact N-O 3.41Å; K544-S552 PolarHBondContact O-N 3.01Å
545	N	78.1	Confident	83	Confident	56 Å²	56	53.2 Å²	53.2	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.8	174	-165.7	-21.5	0	0	0	110.2	F543 G547	F543-N545 HydrophobicContact CE1-CB 3.92Å; N545-G547 PolarHBondContact OD1-N 2.94Å
546	H	76.2	Confident	82.5	Confident	76 Å²	76	48.3 Å²	48.3	35%	0.352	26%	0.264	S	S	.	.			trans	-97	-0.7	178.2	-65.3	-83.7	0	0	0	113.6	N548 L550 S552	H546-N548 VanDerWaalsContact CB-OD1 3.3Å; H546-N548 WeakPolarHBondContact CB-OD1 3.47Å; H546-N548 PolarHBondContact O-N 3.35Å; H546-N548 VanDerWaalsContact O-N 3.14Å; H546-L550 PolarHBondContact CD2-O 3.45Å; H546-L550 PolarHBondContact N-O 2.81Å; H546-S552 PolarHBondContact CE1-OG 2.75Å; H546-S552 PolarHBondContact NE2-N 3.28Å; H546-S552 PolarHBondContact NE2-OG 3.34Å
547	G	68.7	Low	81.3	Confident	59 Å²	59	45.7 Å²	45.7	61%	0.608	26%	0.258	S	S	*	.	S	Bend	trans	71	4	-179.7	0	0	0	0	0	114.8	N545	N545-G547 PolarHBondContact OD1-N 2.94Å
548	N	70.9	Confident	79.5	Confident	46 Å²	46	48 Å²	48	25%	0.246	27%	0.267	C	S	.	.	S	Bend	trans	-115.8	13.5	-177.9	61.4	10.7	0	0	0	113.2	L18 V21 H546 L550	L18-N548 WeakPolarHBondContact CG-O 3.3Å; V21-N548 HydrophobicContact CG2-CB 3.69Å; H546-N548 VanDerWaalsContact CB-OD1 3.3Å; H546-N548 WeakPolarHBondContact CB-OD1 3.47Å; H546-N548 PolarHBondContact O-N 3.35Å; H546-N548 VanDerWaalsContact O-N 3.14Å; N548-L550 VanDerWaalsContact C-N 3.35Å; N548-L550 WeakPolarHBondContact OD1-CB 3.45Å; N548-L550 PolarHBondContact OD1-N 2.77Å
549	G	69.3	Low	77	Confident	10 Å²	10	51 Å²	51	10%	0.103	29%	0.292	C	S	.	.	S	Bend	trans	88.9	-4.8	-176.8	0	0	0	0	0	114.4	A579	G549-A579 PolarHBondContact O-N 3.23Å
550	L	80.9	Confident	74.5	Confident	39 Å²	39	57 Å²	57	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	154.2	172.8	-57.8	173.1	0	0	0	111.3	H546 N548 I576 V577	H546-L550 PolarHBondContact CD2-O 3.45Å; H546-L550 PolarHBondContact N-O 2.81Å; N548-L550 VanDerWaalsContact C-N 3.35Å; N548-L550 WeakPolarHBondContact OD1-CB 3.45Å; N548-L550 PolarHBondContact OD1-N 2.77Å; L550-I576 HydrophobicContact CB-CG2 3.97Å; L550-I576 HydrophobicContact CD1-CG2 3.91Å; L550-I576 HydrophobicContact CD2-CG2 4.46Å; L550-I576 HydrophobicContact CG-CG2 4.34Å; L550-V577 CarbonylContact C-O 3.55Å; L550-V577 WeakPolarHBondContact CA-O 3.34Å
551	A	83.1	Confident	71.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.8	171.7	0	0	0	0	0	110.3	F543 K544 V553 I576 V577 A579	F543-A551 HydrophobicContact CD2-CB 4.05Å; F543-A551 HydrophobicContact CE1-CB 4.29Å; F543-A551 HydrophobicContact CE2-CB 3.41Å; F543-A551 VanDerWaalsContact CE2-CB 3.41Å; F543-A551 HydrophobicContact CZ-CB 3.57Å; K544-A551 CarbonylContact O-C 3.57Å; K544-A551 WeakPolarHBondContact O-CA 3.23Å; A551-V553 HydrophobicContact CB-CG1 4.22Å; A551-I576 WeakPolarHBondContact O-CA 2.86Å; A551-V577 PolarHBondContact N-O 2.51Å; A551-V577 PolarHBondContact O-N 3.19Å; A551-A579 HydrophobicContact CB-CB 3.84Å
552	S	87.8	Confident	69.4	Low	12 Å²	12	73.4 Å²	73.4	8%	0.084	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.3	165.1	-76.5	0	0	0	0	109	K544 H546 F575	K544-S552 PolarHBondContact N-O 3.41Å; K544-S552 PolarHBondContact O-N 3.01Å; H546-S552 PolarHBondContact CE1-OG 2.75Å; H546-S552 PolarHBondContact NE2-N 3.28Å; H546-S552 PolarHBondContact NE2-OG 3.34Å; S552-F575 CarbonylContact C-O 3.59Å; S552-F575 VanDerWaalsContact CA-O 3.31Å; S552-F575 WeakPolarHBondContact CA-O 3.4Å
553	V	88.4	Confident	66.8	Low	0 Å²	0	80.2 Å²	80.2	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.1	-175.2	-54.2	0	0	0	0	113.3	L534 V540 T542 F543 A551 F575 V577 F582	L534-V553 HydrophobicContact CD1-CG2 4.3Å; V540-V553 HydrophobicContact CG1-CB 3.8Å; V540-V553 HydrophobicContact CG1-CG1 4.15Å; V540-V553 HydrophobicContact CG2-CB 4.16Å; T542-V553 CarbonylContact O-C 3.58Å; T542-V553 VanDerWaalsContact O-CA 3.23Å; T542-V553 WeakPolarHBondContact O-CA 3.16Å; F543-V553 HydrophobicContact CD2-CG1 3.75Å; F543-V553 HydrophobicContact CE2-CG1 4.27Å; A551-V553 HydrophobicContact CB-CG1 4.22Å; V553-F575 HydrophobicContact CG2-CB 4.18Å; V553-F575 PolarHBondContact N-O 2.7Å; V553-F575 PolarHBondContact O-N 2.79Å; V553-V577 HydrophobicContact CB-CG2 4.26Å; V553-V577 HydrophobicContact CG1-CG2 3.77Å; V553-V577 HydrophobicContact CG2-CG2 3.49Å; V553-V577 VanDerWaalsContact CG2-CG2 3.49Å; V553-F582 HydrophobicContact CB-CE1 4.43Å; V553-F582 HydrophobicContact CB-CZ 4.39Å; V553-F582 HydrophobicContact CG1-CD1 4.46Å; V553-F582 HydrophobicContact CG1-CD2 4.44Å; V553-F582 HydrophobicContact CG1-CE1 3.97Å; V553-F582 HydrophobicContact CG1-CE2 3.98Å; V553-F582 HydrophobicContact CG1-CZ 3.74Å; V553-F582 HydrophobicContact CG2-CE1 4.32Å; V553-F582 HydrophobicContact CG2-CZ 4.05Å
554	K	88.8	Confident	64.5	Low	66 Å²	66	84.6 Å²	84.6	29%	0.287	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.6	169.6	-174.6	173.8	178.3	169.5	0	109.7	V540 D541 T542 N572 L574	V540-K554 CarbonylContact C-O 3.6Å; V540-K554 WeakPolarHBondContact CA-O 3.26Å; D541-K554 PolarHBondContact N-O 3.12Å; T542-K554 PolarHBondContact N-O 3.42Å; T542-K554 PolarHBondContact O-N 3.23Å; K554-N572 PolarHBondContact NZ-OD1 3.41Å; K554-N572 VanDerWaalsContact NZ-OD1 3.12Å; K554-L574 HydrophobicContact CB-CD2 4.05Å
555	L	84.8	Confident	62.1	Low	50 Å²	50	87 Å²	87	26%	0.262	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.1	176.9	-75	178	0	0	0	111.9	L534 D538 V540 Q557	L534-L555 HydrophobicContact CD2-CD1 3.77Å; L534-L555 HydrophobicContact CD2-CD2 3.89Å; L534-L555 HydrophobicContact CD2-CG 3.85Å; D538-L555 HydrophobicContact CB-CD2 3.74Å; V540-L555 HydrophobicContact CG2-CD2 4.01Å; L555-Q557 PolarHBondContact O-N 2.98Å
556	N	78.6	Confident	59.8	Low	42 Å²	42	91.6 Å²	91.6	23%	0.225	49%	0.489	C	S	.	.			trans	-76.3	111.3	172.7	-176.8	8	0	0	0	109.8	I539 D541 S558	I539-N556 HydrophobicContact CB-CB 4.24Å; I539-N556 HydrophobicContact CG2-CB 4.18Å; I539-N556 WeakPolarHBondContact O-CB 3.3Å; I539-N556 PolarHBondContact O-N 2.95Å; D541-N556 HydrophobicContact CB-CB 4.05Å; N556-S558 PolarHBondContact ND2-OG 2.87Å; N556-S558 PolarHBondContact O-N 3.23Å; N556-S558 WeakPolarHBondContact OD1-CB 3.46Å; N556-S558 PolarHBondContact OD1-N 3.11Å; N556-S558 PolarHBondContact OD1-OG 2.85Å
557	Q	64.2	Low	57.7	Low	120 Å²	120	94.7 Å²	94.7	56%	0.561	50%	0.504	S	S	*	.			trans	-80.9	14.6	-175.5	-70.9	177.2	-25.1	0	0	114.8	L555 S559	L555-Q557 PolarHBondContact O-N 2.98Å; Q557-S559 VanDerWaalsContact C-N 3.34Å; Q557-S559 PolarHBondContact O-N 2.95Å; Q557-S559 VanDerWaalsContact O-N 3.14Å
558	S	48.2	Very low	55.7	Low	89 Å²	89	101.2 Å²	101.2	62%	0.622	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	26.8	-168.5	49.9	0	0	0	0	117.1	N556	N556-S558 PolarHBondContact ND2-OG 2.87Å; N556-S558 PolarHBondContact O-N 3.23Å; N556-S558 WeakPolarHBondContact OD1-CB 3.46Å; N556-S558 PolarHBondContact OD1-N 3.11Å; N556-S558 PolarHBondContact OD1-OG 2.85Å
559	S	38.1	Very low	53.9	Low	111 Å²	111	107.1 Å²	107.1	78%	0.776	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.5	6.8	176.4	42.6	0	0	0	0	117.9	Q557	Q557-S559 VanDerWaalsContact C-N 3.34Å; Q557-S559 PolarHBondContact O-N 2.95Å; Q557-S559 VanDerWaalsContact O-N 3.14Å
560	E	36.5	Very low	52.4	Low	174 Å²	174	113.2 Å²	113.2	81%	0.813	57%	0.568	S	S	*	*			trans	-134.6	65.7	174.5	-72.3	-174.8	168.2	0	0	112.4	K562	E560-K562 VanDerWaalsContact C-N 3.33Å; E560-K562 PolarHBondContact O-N 3.17Å
561	K	31.3	Very low	50.6	Low	220 Å²	220	117.8 Å²	117.8	96%	0.957	59%	0.588	S	S	*	*			trans	-89.3	79.6	147.2	-84	-173.2	177.3	-179.4	0	107.6
562	K	33	Very low	49.1	Very low	193 Å²	193	124 Å²	124	84%	0.839	62%	0.622	S	S	*	*			trans	-116.7	126	159.4	-87.7	-172.1	176.1	-178.9	0	108	E560 S564	E560-K562 VanDerWaalsContact C-N 3.33Å; E560-K562 PolarHBondContact O-N 3.17Å; K562-S564 PolarHBondContact O-N 2.96Å
563	E	30	Very low	48	Very low	204 Å²	204	129.3 Å²	129.3	95%	0.953	65%	0.645	S	S	*	*			trans	-47.8	114.3	179.3	-64.1	161.6	142.4	0	0	111.6
564	S	34.9	Very low	47.6	Very low	101 Å²	101	133.5 Å²	133.5	71%	0.706	67%	0.667	S	S	*	*			trans	-147.9	106.6	151.8	64.7	0	0	0	0	108.8	K562	K562-S564 PolarHBondContact O-N 2.96Å
565	N	32.5	Very low	47.4	Very low	159 Å²	159	134 Å²	134	85%	0.85	67%	0.669	S	S	*	*			trans	-54	137.3	164.6	-73.5	-31.2	0	0	0	109.3
566	N	30.5	Very low	47.4	Very low	153 Å²	153	137 Å²	137	82%	0.818	69%	0.685	S	S	*	*	S	Bend	trans	88.4	64.1	175.7	-55.1	-20.2	0	0	0	117.6
567	Q	30.3	Very low	47.8	Very low	141 Å²	141	135.2 Å²	135.2	66%	0.659	68%	0.675	S	S	*	*			trans	-169.8	117.6	134	-107.1	154.6	-8.5	0	0	109.7	Y569	Q567-Y569 VanDerWaalsContact C-N 3.26Å; Q567-Y569 HydrophobicContact CB-CD2 3.81Å; Q567-Y569 HydrophobicContact CB-CE2 3.42Å; Q567-Y569 VanDerWaalsContact CB-CE2 3.42Å; Q567-Y569 HydrophobicContact CG-CE2 4.42Å; Q567-Y569 VanDerWaalsContact O-CD2 3.29Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.48Å; Q567-Y569 PolarHBondContact O-N 2.77Å; Q567-Y569 PolarHBondContact OE1-OH 3.01Å
568	M	27.1	Very low	48.8	Very low	196 Å²	196	130 Å²	130	97%	0.966	65%	0.651	S	S	*	*			trans	-67.4	84.3	171.5	-168.9	175.1	86.6	0	0	108.2	M570	M568-M570 PolarHBondContact O-N 3.3Å
569	Y	34.3	Very low	50.4	Low	169 Å²	169	126.5 Å²	126.5	66%	0.663	63%	0.628	S	S	*	*			trans	-72	125.9	176.6	-79.9	-83.5	0	0	0	109.4	Q567 E571	Q567-Y569 VanDerWaalsContact C-N 3.26Å; Q567-Y569 HydrophobicContact CB-CD2 3.81Å; Q567-Y569 HydrophobicContact CB-CE2 3.42Å; Q567-Y569 VanDerWaalsContact CB-CE2 3.42Å; Q567-Y569 HydrophobicContact CG-CE2 4.42Å; Q567-Y569 VanDerWaalsContact O-CD2 3.29Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.48Å; Q567-Y569 PolarHBondContact O-N 2.77Å; Q567-Y569 PolarHBondContact OE1-OH 3.01Å; Y569-E571 PolarHBondContact O-N 2.84Å
570	M	38.2	Very low	52.2	Low	139 Å²	139	123 Å²	123	69%	0.685	60%	0.598	S	S	*	*			trans	-53.4	96.6	-179	-66.5	-116.6	-79.7	0	0	111.8	M568 N572 E573	M568-M570 PolarHBondContact O-N 3.3Å; M570-N572 PolarHBondContact O-N 3.44Å; M570-E573 WeakPolarHBondContact CE-OE2 3.13Å
571	E	41.7	Very low	54.6	Low	134 Å²	134	115.2 Å²	115.2	63%	0.626	56%	0.561	S	S	*	*			trans	-89.1	9.4	-160.6	-129.8	173.3	-160.7	0	0	115.9	Y569	Y569-E571 PolarHBondContact O-N 2.84Å
572	N	52.4	Low	57.2	Low	132 Å²	132	105.4 Å²	105.4	71%	0.706	52%	0.519	S	S	*	.	S	Bend	trans	-148.2	6.3	-174.5	-90.6	-36.6	0	0	0	118.6	K554 M570	K554-N572 PolarHBondContact NZ-OD1 3.41Å; K554-N572 VanDerWaalsContact NZ-OD1 3.12Å; M570-N572 PolarHBondContact O-N 3.44Å
573	E	65.2	Low	59.6	Low	122 Å²	122	100 Å²	100	57%	0.57	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-88.3	130.8	-179.1	-70	-168	156.3	0	0	112.8	M570 F575	M570-E573 WeakPolarHBondContact CE-OE2 3.13Å; E573-F575 PolarHBondContact O-N 3.26Å
574	L	79.4	Confident	61.9	Low	88 Å²	88	92.4 Å²	92.4	46%	0.461	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-69.3	121.3	167.8	-78.3	162.5	0	0	0	109.2	T542 K554	T542-L574 HydrophobicContact CG2-CD2 4.2Å; K554-L574 HydrophobicContact CB-CD2 4.05Å
575	F	83.7	Confident	63.9	Low	78 Å²	78	92.7 Å²	92.7	34%	0.342	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.3	176.1	-58.5	-81.4	0	0	0	110.5	S552 V553 E573 V577	S552-F575 CarbonylContact C-O 3.59Å; S552-F575 VanDerWaalsContact CA-O 3.31Å; S552-F575 WeakPolarHBondContact CA-O 3.4Å; V553-F575 HydrophobicContact CG2-CB 4.18Å; V553-F575 PolarHBondContact N-O 2.7Å; V553-F575 PolarHBondContact O-N 2.79Å; E573-F575 PolarHBondContact O-N 3.26Å; F575-V577 HydrophobicContact CB-CG1 4.44Å
576	I	86.2	Confident	65.7	Low	113 Å²	113	87.3 Å²	87.3	58%	0.579	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.8	172.6	-58.3	177	0	0	0	109.1	L550 A551	L550-I576 HydrophobicContact CB-CG2 3.97Å; L550-I576 HydrophobicContact CD1-CG2 3.91Å; L550-I576 HydrophobicContact CD2-CG2 4.46Å; L550-I576 HydrophobicContact CG-CG2 4.34Å; A551-I576 WeakPolarHBondContact O-CA 2.86Å
577	V	86	Confident	67.2	Low	4 Å²	4	82.9 Å²	82.9	2%	0.024	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158	-171.6	-74.7	0	0	0	0	110.2	L534 L550 A551 V553 F575 A579 F582	L534-V577 HydrophobicContact CD1-CG1 4.08Å; L534-V577 HydrophobicContact CD1-CG2 4.35Å; L550-V577 CarbonylContact C-O 3.55Å; L550-V577 WeakPolarHBondContact CA-O 3.34Å; A551-V577 PolarHBondContact N-O 2.51Å; A551-V577 PolarHBondContact O-N 3.19Å; V553-V577 HydrophobicContact CB-CG2 4.26Å; V553-V577 HydrophobicContact CG1-CG2 3.77Å; V553-V577 HydrophobicContact CG2-CG2 3.49Å; V553-V577 VanDerWaalsContact CG2-CG2 3.49Å; F575-V577 HydrophobicContact CB-CG1 4.44Å; V577-A579 PolarHBondContact O-N 2.72Å; V577-F582 HydrophobicContact CB-CE2 4.25Å; V577-F582 HydrophobicContact CB-CZ 4.3Å; V577-F582 HydrophobicContact CG2-CE2 3.47Å; V577-F582 VanDerWaalsContact CG2-CE2 3.47Å; V577-F582 HydrophobicContact CG2-CZ 3.44Å; V577-F582 VanDerWaalsContact CG2-CZ 3.44Å
578	P	84.8	Confident	68.3	Low	9 Å²	9	80.1 Å²	80.1	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	125.6	178.3	-22.8	34.2	0	0	0	112.5	V51 Y580 K581 F582	V51-P578 HydrophobicContact CG1-CG 4.31Å; P578-Y580 HydrophobicContact CB-CD1 3.54Å; P578-Y580 HydrophobicContact CB-CE1 3.19Å; P578-Y580 HydrophobicContact CB-CG 4.47Å; P578-Y580 HydrophobicContact CG-CE1 4.11Å; P578-Y580 PolarHBondContact O-N 3.39Å; P578-Y580 VanDerWaalsContact O-N 3.17Å; P578-K581 HydrophobicContact CB-CD 4.45Å; P578-K581 HydrophobicContact CB-CG 4.32Å; P578-K581 HydrophobicContact CG-CD 4.47Å; P578-K581 WeakPolarHBondContact O-CB 3.42Å; P578-K581 WeakPolarHBondContact O-CG 3.25Å; P578-K581 PolarHBondContact O-N 3.07Å; P578-F582 WeakPolarHBondContact O-CE2 2.95Å
579	A	81.5	Confident	69.4	Low	16 Å²	16	75.3 Å²	75.3	13%	0.132	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.2	-171.5	0	0	0	0	0	113.6	F543 G549 A551 V577 K581 F582	F543-A579 HydrophobicContact CZ-CB 4.19Å; G549-A579 PolarHBondContact O-N 3.23Å; A551-A579 HydrophobicContact CB-CB 3.84Å; V577-A579 PolarHBondContact O-N 2.72Å; A579-K581 PolarHBondContact O-N 3.4Å; A579-F582 WeakPolarHBondContact O-CD2 3.37Å; A579-F582 PolarHBondContact O-N 3.01Å
580	Y	77.5	Confident	70	Confident	37 Å²	37	68.9 Å²	68.9	15%	0.145	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.7	-12.5	-179	69.2	-103.6	0	0	0	114.1	L14 I527 P578 F582	L14-Y580 HydrophobicContact CD2-CD1 3.39Å; L14-Y580 HydrophobicContact CD2-CD2 3.28Å; L14-Y580 HydrophobicContact CD2-CE1 3.66Å; L14-Y580 HydrophobicContact CD2-CE2 3.6Å; L14-Y580 HydrophobicContact CD2-CG 3.17Å; L14-Y580 HydrophobicContact CG-CD2 4.25Å; L14-Y580 HydrophobicContact CG-CG 4.18Å; I527-Y580 HydrophobicContact CD1-CD2 3.76Å; I527-Y580 HydrophobicContact CD1-CE2 3.73Å; P578-Y580 HydrophobicContact CB-CD1 3.54Å; P578-Y580 HydrophobicContact CB-CE1 3.19Å; P578-Y580 HydrophobicContact CB-CG 4.47Å; P578-Y580 HydrophobicContact CG-CE1 4.11Å; P578-Y580 PolarHBondContact O-N 3.39Å; P578-Y580 VanDerWaalsContact O-N 3.17Å; Y580-F582 PolarHBondContact O-N 2.82Å
581	K	85.6	Confident	70	Confident	11 Å²	11	67.8 Å²	67.8	5%	0.048	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-77.5	-4.4	-178.2	-62.3	-168.9	177	-169.1	0	113.5	I526 I527 D529 P578 A579	I526-K581 WeakPolarHBondContact CG1-O 3.03Å; I526-K581 PolarHBondContact N-O 3.14Å; I527-K581 HydrophobicContact CB-CB 4.07Å; I527-K581 HydrophobicContact CB-CD 4.42Å; I527-K581 HydrophobicContact CB-CG 3.96Å; I527-K581 HydrophobicContact CG2-CD 4.24Å; I527-K581 HydrophobicContact CG2-CG 4.17Å; I527-K581 PolarHBondContact N-O 3.36Å; D529-K581 HydrophobicContact CB-CD 4.09Å; D529-K581 IonicContact OD1-NZ 2.8Å; D529-K581 PolarHBondContact OD1-NZ 2.85Å; P578-K581 HydrophobicContact CB-CD 4.45Å; P578-K581 HydrophobicContact CB-CG 4.32Å; P578-K581 HydrophobicContact CG-CD 4.47Å; P578-K581 WeakPolarHBondContact O-CB 3.42Å; P578-K581 WeakPolarHBondContact O-CG 3.25Å; P578-K581 PolarHBondContact O-N 3.07Å; A579-K581 PolarHBondContact O-N 3.4Å
582	F	86	Confident	70	Confident	15 Å²	15	68.9 Å²	68.9	7%	0.066	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.8	-171.6	-56.1	-84.8	0	0	0	111	F523 D524 V525 L534 V540 F543 V553 V577 P578 A579 Y580	F523-F582 HydrophobicContact CB-CB 4.08Å; F523-F582 HydrophobicContact CB-CD1 4.48Å; F523-F582 HydrophobicContact CD1-CB 3.87Å; F523-F582 HydrophobicContact CG-CB 4.34Å; D524-F582 WeakPolarHBondContact O-CA 3.4Å; V525-F582 HydrophobicContact CG2-CD1 4.02Å; V525-F582 HydrophobicContact CG2-CE1 3.69Å; L534-F582 HydrophobicContact CD1-CE1 3.86Å; L534-F582 HydrophobicContact CD1-CZ 3.5Å; L534-F582 VanDerWaalsContact CD1-CZ 3.5Å; V540-F582 HydrophobicContact CB-CD1 4.49Å; V540-F582 HydrophobicContact CG2-CD1 3.72Å; V540-F582 HydrophobicContact CG2-CE1 3.51Å; F543-F582 HydrophobicContact CD2-CB 4.21Å; F543-F582 HydrophobicContact CD2-CD2 4.31Å; F543-F582 HydrophobicContact CD2-CG 4.1Å; F543-F582 HydrophobicContact CE2-CB 3.77Å; F543-F582 AromaticContact CE2-CD2 3.66Å; F543-F582 HydrophobicContact CE2-CD2 3.66Å; F543-F582 AromaticContact CE2-CG 3.76Å; F543-F582 HydrophobicContact CE2-CG 3.76Å; V553-F582 HydrophobicContact CB-CE1 4.43Å; V553-F582 HydrophobicContact CB-CZ 4.39Å; V553-F582 HydrophobicContact CG1-CD1 4.46Å; V553-F582 HydrophobicContact CG1-CD2 4.44Å; V553-F582 HydrophobicContact CG1-CE1 3.97Å; V553-F582 HydrophobicContact CG1-CE2 3.98Å; V553-F582 HydrophobicContact CG1-CZ 3.74Å; V553-F582 HydrophobicContact CG2-CE1 4.32Å; V553-F582 HydrophobicContact CG2-CZ 4.05Å; V577-F582 HydrophobicContact CB-CE2 4.25Å; V577-F582 HydrophobicContact CB-CZ 4.3Å; V577-F582 HydrophobicContact CG2-CE2 3.47Å; V577-F582 VanDerWaalsContact CG2-CE2 3.47Å; V577-F582 HydrophobicContact CG2-CZ 3.44Å; V577-F582 VanDerWaalsContact CG2-CZ 3.44Å; P578-F582 WeakPolarHBondContact O-CE2 2.95Å; A579-F582 WeakPolarHBondContact O-CD2 3.37Å; A579-F582 PolarHBondContact O-N 3.01Å; Y580-F582 PolarHBondContact O-N 2.82Å
583	R	83.2	Confident	70.9	Confident	80 Å²	80	65.8 Å²	65.8	30%	0.302	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.3	171.8	-178.2	-173.8	70.7	-159.8	-0.1	109.5	F523 D524 I526 R585	F523-R583 CarbonylContact C-O 3.6Å; F523-R583 VanDerWaalsContact CA-O 3.23Å; F523-R583 WeakPolarHBondContact CA-O 3.46Å; D524-R583 PolarHBondContact N-O 3.08Å; D524-R583 PolarHBondContact O-N 3.11Å; D524-R583 IonicContact OD2-CZ 2.71Å; D524-R583 IonicContact OD2-NE 2.63Å; D524-R583 IonicContact OD2-NH2 3.13Å; D524-R583 PolarHBondContact OD2-NH2 3.22Å; I526-R583 HydrophobicContact CD1-CB 4.37Å; I526-R583 HydrophobicContact CG2-CB 3.76Å; R583-R585 PolarHBondContact O-N 2.8Å
584	P	79.4	Confident	71.2	Confident	43 Å²	43	62.8 Å²	62.8	28%	0.279	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137.8	176	23.6	-31.9	0	0	0	110.8	Y518 L521 F523	Y518-P584 HydrophobicContact CE1-CG 4.41Å; L521-P584 HydrophobicContact CB-CB 4.45Å; L521-P584 HydrophobicContact CD1-CB 3.87Å; F523-P584 HydrophobicContact CD1-CB 4.15Å; F523-P584 VanDerWaalsContact CD1-N 3.29Å; F523-P584 HydrophobicContact CE1-CB 3.73Å; F523-P584 HydrophobicContact CE1-CG 4.25Å; F523-P584 HydrophobicContact CZ-CB 4.03Å
585	R	76.6	Confident	70.7	Confident	107 Å²	107	61.4 Å²	61.4	40%	0.404	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.9	173.8	-175	172.4	-178.5	154.4	-5.6	107.6	L521 K522 D524 R583	L521-R585 WeakPolarHBondContact CD2-O 3.4Å; K522-R585 HydrophobicContact CB-CB 4.28Å; K522-R585 WeakPolarHBondContact O-CA 3.31Å; K522-R585 VanDerWaalsContact O-CB 3.26Å; K522-R585 WeakPolarHBondContact O-CB 3.41Å; K522-R585 PolarHBondContact O-N 3.25Å; D524-R585 IonicContact OD1-NH1 3.51Å; R583-R585 PolarHBondContact O-N 2.8Å
586	I	70.1	Confident	70	Confident	46 Å²	46	60.4 Å²	60.4	24%	0.236	32%	0.317	C	S	.	.			trans	-85.3	119.2	-177.1	-62.5	172	0	0	0	107	L293 L302 P308 Y309 I588	L293-I586 HydrophobicContact CD1-CG2 4.11Å; L302-I586 HydrophobicContact CD1-CD1 4.36Å; L302-I586 HydrophobicContact CD1-CG2 4.48Å; L302-I586 HydrophobicContact CD2-CB 4.48Å; L302-I586 HydrophobicContact CD2-CD1 3.17Å; L302-I586 HydrophobicContact CD2-CG1 4.34Å; L302-I586 HydrophobicContact CD2-CG2 4.18Å; L302-I586 HydrophobicContact CG-CD1 4.38Å; P308-I586 HydrophobicContact CG-CD1 4.29Å; Y309-I586 HydrophobicContact CE2-CG2 3.88Å; I586-I588 PolarHBondContact O-N 3.48Å
587	N	62.3	Low	69	Low	60 Å²	60	57.1 Å²	57.1	32%	0.321	30%	0.3	S	S	.	.			trans	-67.9	128.6	-176.2	-78.9	-18.7	0	0	0	110.1	Y309	Y309-N587 PolarHBondContact OH-N 3.14Å
588	I	54.1	Low	67.8	Low	84 Å²	84	60.7 Å²	60.7	43%	0.431	32%	0.319	S	S	.	.			trans	-113.3	91.6	177.1	-54.9	170.7	0	0	0	106	I295 N298 I586	I295-I588 HydrophobicContact CD1-CG2 3.91Å; I295-I588 HydrophobicContact CG1-CG2 3.93Å; N298-I588 VanDerWaalsContact ND2-CG2 3.31Å; N298-I588 WeakPolarHBondContact ND2-CG2 3.42Å; I586-I588 PolarHBondContact O-N 3.48Å
589	T	49.8	Very low	66.6	Low	94 Å²	94	64.4 Å²	64.4	58%	0.577	34%	0.337	S	S	*	.			trans	-146.7	78.2	176.4	51.5	0	0	0	0	108.7	V292	V292-T589 WeakPolarHBondContact CG1-OG1 3.4Å
590	W	46.9	Very low	65.5	Low	34 Å²	34	68.1 Å²	68.1	13%	0.129	35%	0.353	C	S	.	.			trans	-144.5	114	162.6	-131.9	52.2	0	0	0	108.2	F230 E231 V292 I295	F230-W590 VanDerWaalsContact C-CZ2 3.42Å; F230-W590 HydrophobicContact CD1-CH2 4.15Å; F230-W590 HydrophobicContact CD1-CZ3 4.06Å; F230-W590 HydrophobicContact CE1-CH2 4.48Å; F230-W590 AromaticContact CE1-CZ3 4Å; F230-W590 HydrophobicContact CE1-CZ3 4Å; F230-W590 WeakPolarHBondContact O-CH2 3.17Å; F230-W590 VanDerWaalsContact O-CZ2 3.28Å; F230-W590 WeakPolarHBondContact O-CZ2 3.3Å; E231-W590 HydrophobicContact CB-CZ2 3.55Å; E231-W590 HydrophobicContact CG-CD2 4.42Å; E231-W590 VanDerWaalsContact CG-CE2 3.49Å; E231-W590 HydrophobicContact CG-CZ2 3.82Å; E231-W590 WeakPolarHBondContact O-CZ2 3.41Å; V292-W590 HydrophobicContact CG2-CG 4.33Å; I295-W590 WeakPolarHBondContact CB-O 3.37Å; I295-W590 WeakPolarHBondContact CD1-O 3.48Å; I295-W590 WeakPolarHBondContact CG2-O 3.06Å
591	S	38.3	Very low	64.5	Low	116 Å²	116	70.7 Å²	70.7	81%	0.811	37%	0.371	S	S	*	.			trans	-99.9	104.3	178.5	54.3	0	0	0	0	107.9
592	N	41.4	Very low	62.5	Low	158 Å²	158	76.1 Å²	76.1	85%	0.845	40%	0.4	S	S	*	.			trans	37.8	0	176.9	-81.3	-1.1	0	0	0	118.3

Retrieved 592 of 592 residues in 386.1 ms (Link to these results)

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