A0A087Y402_POEFO Loading...

Germ cell nuclear acidic peptidase

AlphaFold DB , UniProt , Accession A0A087Y402, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	61.7	Low	235 Å²	235	126.2 Å²	126.2	100%	1.158	63%	0.634	S	S	*	*				0	153	0	-68.2	175.9	176.9	0	0	107.4
2	N	59.6	Low	62.1	Low	139 Å²	139	121.9 Å²	121.9	74%	0.743	62%	0.619	S	S	*	*			trans	-86.8	120.9	-174	-66.3	5.8	0	0	0	111.1	D4 L5	N2-D4 PolarHBondContact O-N 2.85Å; N2-D4 VanDerWaalsContact O-N 3.12Å; N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3Å
3	D	59.5	Low	62.1	Low	111 Å²	111	113.2 Å²	113.2	59%	0.594	58%	0.577	S	S	*	*	H	α-helix	trans	-57.6	-30.7	-173.6	-62.5	-30.6	0	0	0	113.8	L5 C6 K7	D3-L5 VanDerWaalsContact C-N 3.27Å; D3-L5 PolarHBondContact O-N 3.39Å; D3-C6 WeakPolarHBondContact O-CA 3.46Å; D3-C6 WeakPolarHBondContact O-CB 3.28Å; D3-C6 PolarHBondContact O-N 3.49Å; D3-C6 VanDerWaalsContact O-N 3.1Å; D3-K7 VanDerWaalsContact O-CG 3.29Å; D3-K7 WeakPolarHBondContact O-CG 3.41Å; D3-K7 PolarHBondContact O-N 3.41Å
4	D	59.3	Low	62.7	Low	116 Å²	116	117.4 Å²	117.4	62%	0.62	58%	0.583	S	S	*	*	H	α-helix	trans	-68.6	-27.9	-179.6	-61.9	-24.4	0	0	0	112.7	N2 K7 S8	N2-D4 PolarHBondContact O-N 2.85Å; N2-D4 VanDerWaalsContact O-N 3.12Å; D4-K7 IonicContact OD1-NZ 2.92Å; D4-K7 PolarHBondContact OD1-NZ 2.94Å; D4-S8 VanDerWaalsContact O-CB 3.31Å; D4-S8 WeakPolarHBondContact O-CB 3.21Å; D4-S8 PolarHBondContact O-N 2.77Å
5	L	58.4	Low	63	Low	129 Å²	129	121.9 Å²	121.9	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-68	-43.1	170.1	-167.6	69.4	0	0	0	110.1	N2 D3 S8 F9	N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3Å; D3-L5 VanDerWaalsContact C-N 3.27Å; D3-L5 PolarHBondContact O-N 3.39Å; L5-S8 PolarHBondContact O-N 3.23Å; L5-S8 PolarHBondContact O-OG 3Å; L5-F9 PolarHBondContact O-N 2.83Å
6	C	63.6	Low	63.3	Low	90 Å²	90	121.4 Å²	121.4	61%	0.608	60%	0.595	S	S	*	*	H	α-helix	trans	-61.7	-50.9	177.1	-153.3	0	0	0	0	111.4	D3 S8 F9 D10	D3-C6 WeakPolarHBondContact O-CA 3.46Å; D3-C6 WeakPolarHBondContact O-CB 3.28Å; D3-C6 PolarHBondContact O-N 3.49Å; D3-C6 VanDerWaalsContact O-N 3.1Å; C6-S8 PolarHBondContact O-N 3.03Å; C6-F9 PolarHBondContact O-N 3.11Å; C6-F9 VanDerWaalsContact O-N 3.13Å; C6-D10 WeakPolarHBondContact O-CB 3.42Å; C6-D10 PolarHBondContact O-N 3.35Å
7	K	67.1	Low	63.1	Low	115 Å²	115	116.6 Å²	116.6	50%	0.5	58%	0.584	S	S	.	*	H	α-helix	trans	-58.2	-32.7	174.3	-65.4	164.7	-161	154.9	0	112.7	D3 D4 R11	D3-K7 VanDerWaalsContact O-CG 3.29Å; D3-K7 WeakPolarHBondContact O-CG 3.41Å; D3-K7 PolarHBondContact O-N 3.41Å; D4-K7 IonicContact OD1-NZ 2.92Å; D4-K7 PolarHBondContact OD1-NZ 2.94Å; K7-R11 WeakPolarHBondContact O-CB 3.29Å; K7-R11 PolarHBondContact O-N 3.33Å
8	S	64.3	Low	62.8	Low	60 Å²	60	116.9 Å²	116.9	42%	0.42	58%	0.577	S	S	.	*	H	α-helix	trans	-72.3	-41	176.3	79.8	0	0	0	0	112.4	D4 L5 C6 V12	D4-S8 VanDerWaalsContact O-CB 3.31Å; D4-S8 WeakPolarHBondContact O-CB 3.21Å; D4-S8 PolarHBondContact O-N 2.77Å; L5-S8 PolarHBondContact O-N 3.23Å; L5-S8 PolarHBondContact O-OG 3Å; C6-S8 PolarHBondContact O-N 3.03Å; S8-V12 WeakPolarHBondContact O-CG2 3.39Å; S8-V12 PolarHBondContact O-N 2.92Å
9	F	62.4	Low	62.4	Low	141 Å²	141	116.4 Å²	116.4	62%	0.618	58%	0.576	S	S	*	*	H	α-helix	trans	-66.1	-46.7	176.6	-171	-92	0	0	0	110.9	L5 C6 R11 V12 A13	L5-F9 PolarHBondContact O-N 2.83Å; C6-F9 PolarHBondContact O-N 3.11Å; C6-F9 VanDerWaalsContact O-N 3.13Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 2.87Å; F9-V12 CarbonylContact O-C 3.59Å; F9-V12 WeakPolarHBondContact O-CA 3.37Å; F9-V12 WeakPolarHBondContact O-CB 3.35Å; F9-V12 PolarHBondContact O-N 2.87Å; F9-A13 PolarHBondContact O-N 3.48Å
10	D	68.9	Low	62.1	Low	57 Å²	57	120 Å²	120	31%	0.305	59%	0.591	S	S	.	*	H	α-helix	trans	-61.5	-38.3	-179.6	-163.1	65.6	0	0	0	112.3	C6 V12 A13 R14	C6-D10 WeakPolarHBondContact O-CB 3.42Å; C6-D10 PolarHBondContact O-N 3.35Å; D10-V12 VanDerWaalsContact C-N 3.33Å; D10-V12 PolarHBondContact O-N 2.79Å; D10-A13 PolarHBondContact O-N 3.49Å; D10-R14 VanDerWaalsContact O-CG 3.32Å; D10-R14 WeakPolarHBondContact O-CG 3.36Å; D10-R14 PolarHBondContact O-N 3.38Å; D10-R14 IonicContact OD1-NH2 3.93Å; D10-R14 IonicContact OD2-CZ 3.18Å; D10-R14 IonicContact OD2-NE 3.76Å; D10-R14 PolarHBondContact OD2-NE 3.39Å; D10-R14 IonicContact OD2-NH2 2.7Å; D10-R14 PolarHBondContact OD2-NH2 2.83Å
11	R	69.9	Low	61.8	Low	195 Å²	195	118.1 Å²	118.1	74%	0.736	58%	0.581	S	S	*	*	H	α-helix	trans	-66	-31.6	173	-169.1	179.5	-62.2	-168.5	-0.1	113.1	K7 F9 K15	K7-R11 WeakPolarHBondContact O-CB 3.29Å; K7-R11 PolarHBondContact O-N 3.33Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 2.87Å; R11-K15 WeakPolarHBondContact O-CB 3.31Å; R11-K15 PolarHBondContact O-N 2.89Å
12	V	66.3	Low	62.2	Low	75 Å²	75	109.2 Å²	109.2	46%	0.455	55%	0.55	S	S	.	*	H	α-helix	trans	-75.8	-45.3	174.1	172.5	0	0	0	0	110.6	S8 F9 D10 R14 K15 M16	S8-V12 WeakPolarHBondContact O-CG2 3.39Å; S8-V12 PolarHBondContact O-N 2.92Å; F9-V12 CarbonylContact O-C 3.59Å; F9-V12 WeakPolarHBondContact O-CA 3.37Å; F9-V12 WeakPolarHBondContact O-CB 3.35Å; F9-V12 PolarHBondContact O-N 2.87Å; D10-V12 VanDerWaalsContact C-N 3.33Å; D10-V12 PolarHBondContact O-N 2.79Å; V12-R14 PolarHBondContact O-N 2.87Å; V12-K15 PolarHBondContact O-N 3.47Å; V12-K15 VanDerWaalsContact O-N 3.1Å; V12-M16 HydrophobicContact CG1-CG 4.12Å; V12-M16 VanDerWaalsContact O-CG 3.31Å; V12-M16 WeakPolarHBondContact O-CG 3.19Å; V12-M16 PolarHBondContact O-N 2.82Å
13	A	63.1	Low	61.4	Low	9 Å²	9	109.1 Å²	109.1	7%	0.074	55%	0.549	C	S	.	.	H	α-helix	trans	-56.7	-48.4	179	0	0	0	0	0	111.9	F9 D10 K15 M16 G17 W18 L19	F9-A13 PolarHBondContact O-N 3.48Å; D10-A13 PolarHBondContact O-N 3.49Å; A13-K15 PolarHBondContact O-N 3.04Å; A13-M16 PolarHBondContact O-N 3.07Å; A13-G17 PolarHBondContact O-N 3.06Å; A13-G17 VanDerWaalsContact O-N 3.15Å; A13-W18 HydrophobicContact CB-CB 4.35Å; A13-W18 PolarHBondContact O-N 3.07Å; A13-L19 HydrophobicContact CB-CD1 4.03Å; A13-L19 HydrophobicContact CB-CG 4.41Å
14	R	69.7	Low	61.1	Low	172 Å²	172	109.6 Å²	109.6	65%	0.649	55%	0.551	S	S	*	*	H	α-helix	trans	-60.1	-43.3	174.2	-65	174.6	-161	-114.6	3.3	112.1	D10 V12 M16 G17 L19	D10-R14 VanDerWaalsContact O-CG 3.32Å; D10-R14 WeakPolarHBondContact O-CG 3.36Å; D10-R14 PolarHBondContact O-N 3.38Å; D10-R14 IonicContact OD1-NH2 3.93Å; D10-R14 IonicContact OD2-CZ 3.18Å; D10-R14 IonicContact OD2-NE 3.76Å; D10-R14 PolarHBondContact OD2-NE 3.39Å; D10-R14 IonicContact OD2-NH2 2.7Å; D10-R14 PolarHBondContact OD2-NH2 2.83Å; V12-R14 PolarHBondContact O-N 2.87Å; R14-M16 VanDerWaalsContact C-N 3.26Å; R14-M16 PolarHBondContact O-N 3.36Å; R14-G17 PolarHBondContact O-N 2.76Å; R14-L19 HydrophobicContact CG-CD1 3.53Å
15	K	68.1	Low	60.9	Low	184 Å²	184	106.4 Å²	106.4	80%	0.8	54%	0.538	S	S	*	.	H	α-helix	trans	-68.2	-22.3	179.8	-175.2	168.1	-179.2	175.5	0	113.7	R11 V12 A13	R11-K15 WeakPolarHBondContact O-CB 3.31Å; R11-K15 PolarHBondContact O-N 2.89Å; V12-K15 PolarHBondContact O-N 3.47Å; V12-K15 VanDerWaalsContact O-N 3.1Å; A13-K15 PolarHBondContact O-N 3.04Å
16	M	66.9	Low	60.6	Low	114 Å²	114	102.3 Å²	102.3	56%	0.562	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	2.9	179.1	-60.5	-62.6	-64	0	0	113.6	V12 A13 R14 W18	V12-M16 HydrophobicContact CG1-CG 4.12Å; V12-M16 VanDerWaalsContact O-CG 3.31Å; V12-M16 WeakPolarHBondContact O-CG 3.19Å; V12-M16 PolarHBondContact O-N 2.82Å; A13-M16 PolarHBondContact O-N 3.07Å; R14-M16 VanDerWaalsContact C-N 3.26Å; R14-M16 PolarHBondContact O-N 3.36Å; M16-W18 VanDerWaalsContact C-N 3.25Å; M16-W18 HydrophobicContact CB-CD2 3.84Å; M16-W18 HydrophobicContact CB-CG 3.94Å; M16-W18 HydrophobicContact CB-CZ2 4.15Å; M16-W18 HydrophobicContact CE-CZ2 4.44Å; M16-W18 HydrophobicContact CG-CZ2 4.26Å; M16-W18 PolarHBondContact O-N 3.16Å
17	G	59.6	Low	60.2	Low	40 Å²	40	103.6 Å²	103.6	41%	0.412	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	5	-178.9	0	0	0	0	0	115.4	A13 R14 L19 E20	A13-G17 PolarHBondContact O-N 3.06Å; A13-G17 VanDerWaalsContact O-N 3.15Å; R14-G17 PolarHBondContact O-N 2.76Å; G17-L19 PolarHBondContact O-N 3.24Å; G17-E20 PolarHBondContact O-N 2.93Å
18	W	58.3	Low	59.8	Low	123 Å²	123	104.9 Å²	104.9	47%	0.466	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-1.4	-172	-61.6	-10.4	0	0	0	115.1	A13 M16	A13-W18 HydrophobicContact CB-CB 4.35Å; A13-W18 PolarHBondContact O-N 3.07Å; M16-W18 VanDerWaalsContact C-N 3.25Å; M16-W18 HydrophobicContact CB-CD2 3.84Å; M16-W18 HydrophobicContact CB-CG 3.94Å; M16-W18 HydrophobicContact CB-CZ2 4.15Å; M16-W18 HydrophobicContact CE-CZ2 4.44Å; M16-W18 HydrophobicContact CG-CZ2 4.26Å; M16-W18 PolarHBondContact O-N 3.16Å
19	L	54.6	Low	59.7	Low	106 Å²	106	107.1 Å²	107.1	56%	0.555	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-9.8	178.3	-93.9	157.9	0	0	0	113.7	A13 R14 G17	A13-L19 HydrophobicContact CB-CD1 4.03Å; A13-L19 HydrophobicContact CB-CG 4.41Å; R14-L19 HydrophobicContact CG-CD1 3.53Å; G17-L19 PolarHBondContact O-N 3.24Å
20	E	56.7	Low	59.5	Low	188 Å²	188	105.4 Å²	105.4	88%	0.879	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-29.4	-179.6	-65.2	-172	171.5	0	0	113.2	G17	G17-E20 PolarHBondContact O-N 2.93Å
21	E	55.9	Low	59	Low	81 Å²	81	108.8 Å²	108.8	38%	0.379	54%	0.538	S	S	.	.	S	Bend	trans	-115.4	121.8	166.9	-72.1	-172.7	158.5	0	0	110.7	T26 K29	E21-T26 HydrophobicContact CB-CG2 4.23Å; E21-K29 IonicContact OE1-NZ 2.77Å; E21-K29 PolarHBondContact OE1-NZ 3.29Å; E21-K29 IonicContact OE2-NZ 3.58Å; E21-K29 PolarHBondContact OE2-NZ 2.85Å
22	G	54.2	Low	58.5	Low	49 Å²	49	102.3 Å²	102.3	51%	0.505	52%	0.523	S	S	.	.			trans	-60	156	-178.3	0	0	0	0	0	114.4	D24 S25 T26	G22-D24 VanDerWaalsContact C-N 3.28Å; G22-D24 PolarHBondContact O-N 2.81Å; G22-D24 VanDerWaalsContact O-N 3.16Å; G22-S25 WeakPolarHBondContact O-CB 3.38Å; G22-S25 PolarHBondContact O-N 3.23Å; G22-T26 PolarHBondContact O-N 3.02Å; G22-T26 PolarHBondContact O-OG1 3.29Å
23	L	43.8	Very low	57.8	Low	136 Å²	136	105 Å²	105	71%	0.712	53%	0.532	S	S	*	.	H	α-helix	trans	-52.6	-38.4	-174	-83.8	161.8	0	0	0	114.2	S25 T26 Q27	L23-S25 PolarHBondContact O-N 2.84Å; L23-T26 PolarHBondContact O-N 2.79Å; L23-T26 PolarHBondContact O-OG1 3.46Å; L23-T26 VanDerWaalsContact O-OG1 3.04Å; L23-Q27 WeakPolarHBondContact O-CB 3.15Å; L23-Q27 PolarHBondContact O-N 2.65Å
24	D	51.9	Low	57.5	Low	121 Å²	121	110 Å²	110	65%	0.647	56%	0.556	S	S	*	*	H	α-helix	trans	-68.4	-34.7	178.9	-64.6	-42.8	0	0	0	112.9	G22 Q27 Q28	G22-D24 VanDerWaalsContact C-N 3.28Å; G22-D24 PolarHBondContact O-N 2.81Å; G22-D24 VanDerWaalsContact O-N 3.16Å; D24-Q27 PolarHBondContact O-N 3.05Å; D24-Q28 WeakPolarHBondContact O-CG 3.42Å; D24-Q28 PolarHBondContact O-N 3.18Å
25	S	54.9	Low	56.3	Low	50 Å²	50	104.5 Å²	104.5	35%	0.35	55%	0.553	S	S	.	*	H	α-helix	trans	-68.4	-43.9	176.8	-177.8	0	0	0	0	111.2	G22 L23 Q28 K29	G22-S25 WeakPolarHBondContact O-CB 3.38Å; G22-S25 PolarHBondContact O-N 3.23Å; L23-S25 PolarHBondContact O-N 2.84Å; S25-Q28 PolarHBondContact O-N 3.39Å; S25-K29 PolarHBondContact O-N 2.89Å
26	T	52.3	Low	55.2	Low	42 Å²	42	103.5 Å²	103.5	26%	0.258	55%	0.549	S	S	.	.	H	α-helix	trans	-68	-34.5	176.3	49	0	0	0	0	112.1	E21 G22 L23 L30	E21-T26 HydrophobicContact CB-CG2 4.23Å; G22-T26 PolarHBondContact O-N 3.02Å; G22-T26 PolarHBondContact O-OG1 3.29Å; L23-T26 PolarHBondContact O-N 2.79Å; L23-T26 PolarHBondContact O-OG1 3.46Å; L23-T26 VanDerWaalsContact O-OG1 3.04Å; T26-L30 PolarHBondContact O-N 2.97Å; T26-L30 VanDerWaalsContact O-N 3.08Å
27	Q	55.3	Low	54.2	Low	118 Å²	118	103.8 Å²	103.8	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-63.5	-45.7	170.1	-172.5	171.1	-83.6	0	0	112	L23 D24 L30 M31	L23-Q27 WeakPolarHBondContact O-CB 3.15Å; L23-Q27 PolarHBondContact O-N 2.65Å; D24-Q27 PolarHBondContact O-N 3.05Å; Q27-L30 PolarHBondContact O-N 3.38Å; Q27-M31 HydrophobicContact CG-SD 4.4Å; Q27-M31 WeakPolarHBondContact O-CG 3.41Å; Q27-M31 PolarHBondContact O-N 2.96Å
28	Q	58.3	Low	53.4	Low	142 Å²	142	112.6 Å²	112.6	66%	0.664	58%	0.578	S	S	*	*	H	α-helix	trans	-64.2	-39.8	176.7	-75.3	-174.2	7.5	0	0	112.7	D24 S25 L30 M31 S32	D24-Q28 WeakPolarHBondContact O-CG 3.42Å; D24-Q28 PolarHBondContact O-N 3.18Å; S25-Q28 PolarHBondContact O-N 3.39Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.43Å; Q28-M31 PolarHBondContact O-N 3.41Å; Q28-S32 WeakPolarHBondContact O-CB 3.23Å; Q28-S32 PolarHBondContact O-N 3.29Å
29	K	62.2	Low	52.5	Low	106 Å²	106	114.7 Å²	114.7	46%	0.461	60%	0.598	S	S	.	*	H	α-helix	trans	-57.7	-45.9	172	-81.6	-178.2	-178.7	174.7	0	111.6	E21 S25 S32 M33	E21-K29 IonicContact OE1-NZ 2.77Å; E21-K29 PolarHBondContact OE1-NZ 3.29Å; E21-K29 IonicContact OE2-NZ 3.58Å; E21-K29 PolarHBondContact OE2-NZ 2.85Å; S25-K29 PolarHBondContact O-N 2.89Å; K29-S32 WeakPolarHBondContact O-CB 3.42Å; K29-S32 PolarHBondContact O-N 2.91Å; K29-M33 WeakPolarHBondContact O-CG 3.5Å; K29-M33 PolarHBondContact O-N 2.84Å
30	L	59.1	Low	51.3	Low	106 Å²	106	113.6 Å²	113.6	56%	0.555	61%	0.613	S	S	*	*	H	α-helix	trans	-62.2	-44.5	178.8	-166.8	71	0	0	0	111.9	T26 Q27 Q28 S32 M33 I34	T26-L30 PolarHBondContact O-N 2.97Å; T26-L30 VanDerWaalsContact O-N 3.08Å; Q27-L30 PolarHBondContact O-N 3.38Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.43Å; L30-S32 VanDerWaalsContact C-N 3.35Å; L30-S32 PolarHBondContact O-N 3.06Å; L30-M33 PolarHBondContact O-N 3.3Å; L30-I34 HydrophobicContact CG-CD1 4.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.1Å; L30-I34 VanDerWaalsContact O-N 3.11Å
31	M	58.7	Low	50.2	Low	127 Å²	127	108.2 Å²	108.2	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-36.2	176.1	-65.8	-178.2	79.9	0	0	112.3	Q27 Q28 I34 G35	Q27-M31 HydrophobicContact CG-SD 4.4Å; Q27-M31 WeakPolarHBondContact O-CG 3.41Å; Q27-M31 PolarHBondContact O-N 2.96Å; Q28-M31 PolarHBondContact O-N 3.41Å; M31-I34 PolarHBondContact O-N 3.08Å; M31-G35 PolarHBondContact O-N 2.76Å
32	S	58.4	Low	49.1	Very low	60 Å²	60	111.1 Å²	111.1	42%	0.42	63%	0.631	S	S	.	*	H	α-helix	trans	-64.5	-38.2	174.5	-168.7	0	0	0	0	112.6	Q28 K29 L30 G35 K36	Q28-S32 WeakPolarHBondContact O-CB 3.23Å; Q28-S32 PolarHBondContact O-N 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.42Å; K29-S32 PolarHBondContact O-N 2.91Å; L30-S32 VanDerWaalsContact C-N 3.35Å; L30-S32 PolarHBondContact O-N 3.06Å; S32-G35 PolarHBondContact O-N 2.91Å; S32-K36 WeakPolarHBondContact O-CG 3.48Å; S32-K36 PolarHBondContact O-N 2.89Å
33	M	52.6	Low	48.5	Very low	131 Å²	131	114.6 Å²	114.6	65%	0.645	65%	0.648	S	S	*	*	H	α-helix	trans	-66.2	-43.8	174.8	-70.8	176.6	66.3	0	0	111.8	K29 L30 G35 K36	K29-M33 WeakPolarHBondContact O-CG 3.5Å; K29-M33 PolarHBondContact O-N 2.84Å; L30-M33 PolarHBondContact O-N 3.3Å; M33-G35 VanDerWaalsContact C-N 3.32Å; M33-G35 PolarHBondContact O-N 3.24Å; M33-K36 PolarHBondContact O-N 3.39Å
34	I	56.7	Low	47.8	Very low	114 Å²	114	111.4 Å²	111.4	59%	0.585	65%	0.648	S	S	*	*	H	α-helix	trans	-67.2	-32.2	178.2	-64.9	164.8	0	0	0	111.6	L30 M31 K36 T37	L30-I34 HydrophobicContact CG-CD1 4.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.48Å; L30-I34 PolarHBondContact O-N 3.1Å; L30-I34 VanDerWaalsContact O-N 3.11Å; M31-I34 PolarHBondContact O-N 3.08Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.24Å; I34-T37 PolarHBondContact O-OG1 3.27Å; I34-T37 VanDerWaalsContact O-OG1 3.14Å
35	G	43.4	Very low	47	Very low	57 Å²	57	112.3 Å²	112.3	59%	0.588	66%	0.657	S	S	*	*	H	α-helix	trans	-66.9	-28.2	174.7	0	0	0	0	0	114.3	M31 S32 M33	M31-G35 PolarHBondContact O-N 2.76Å; S32-G35 PolarHBondContact O-N 2.91Å; M33-G35 VanDerWaalsContact C-N 3.32Å; M33-G35 PolarHBondContact O-N 3.24Å
36	K	46	Very low	46.1	Very low	162 Å²	162	115.8 Å²	115.8	70%	0.704	68%	0.679	S	S	*	*	H	α-helix	trans	-80.7	-17.8	-174.6	-76.6	170.6	179.2	171.3	0	114.5	S32 M33 I34 R38	S32-K36 WeakPolarHBondContact O-CG 3.48Å; S32-K36 PolarHBondContact O-N 2.89Å; M33-K36 PolarHBondContact O-N 3.39Å; I34-K36 VanDerWaalsContact C-N 3.32Å; I34-K36 PolarHBondContact O-N 3.24Å; K36-R38 VanDerWaalsContact C-N 3.26Å; K36-R38 PolarHBondContact O-N 3.34Å
37	T	44.4	Very low	45.2	Very low	121 Å²	121	118.3 Å²	118.3	74%	0.742	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	7.3	-178.5	53.3	0	0	0	0	114.4	I34	I34-T37 PolarHBondContact O-OG1 3.27Å; I34-T37 VanDerWaalsContact O-OG1 3.14Å
38	R	43.2	Very low	44.3	Very low	224 Å²	224	121.5 Å²	121.5	85%	0.845	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	17.8	-171.8	-129.4	-176.4	80.5	161	3.9	117.1	K36	K36-R38 VanDerWaalsContact C-N 3.26Å; K36-R38 PolarHBondContact O-N 3.34Å
39	N	39.1	Very low	43.5	Very low	167 Å²	167	119.2 Å²	119.2	89%	0.893	71%	0.713	S	S	*	*	S	Bend	trans	-123.1	105.1	167.4	-86.4	-18.2	0	0	0	110.1
40	G	30.5	Very low	42.9	Very low	83 Å²	83	118.6 Å²	118.6	86%	0.856	72%	0.722	S	S	*	*			trans	147	81.5	-176.7	0	0	0	0	0	110.9
41	G	33.4	Very low	42.4	Very low	76 Å²	76	116.8 Å²	116.8	78%	0.784	71%	0.713	S	S	*	*			trans	-101.4	139.2	-174.9	0	0	0	0	0	113.6
42	T	31.7	Very low	42.1	Very low	141 Å²	141	118 Å²	118	87%	0.865	72%	0.717	S	S	*	*			trans	-140.2	143.9	156.3	-60.5	0	0	0	0	108.2
43	S	41.8	Very low	41.9	Very low	122 Å²	122	122.8 Å²	122.8	85%	0.853	73%	0.733	S	S	*	*			trans	-72.4	130.2	-179.9	46.3	0	0	0	0	112.9
44	G	30.7	Very low	41.7	Very low	70 Å²	70	120.1 Å²	120.1	72%	0.722	72%	0.718	S	S	*	*			trans	-151.2	145.4	172.8	0	0	0	0	0	111
45	V	34.8	Very low	41.5	Very low	139 Å²	139	117.5 Å²	117.5	84%	0.842	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-67.8	139.1	179	178.9	0	0	0	0	109.7	S47	V45-S47 PolarHBondContact O-N 3.3Å; V45-S47 VanDerWaalsContact O-N 3.14Å
46	P	35.6	Very low	42.2	Very low	124 Å²	124	119.7 Å²	119.7	81%	0.805	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.6	116.6	176	-20	32.3	0	0	0	111
47	S	32.8	Very low	43.3	Very low	95 Å²	95	117.4 Å²	117.4	66%	0.664	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-84.2	136.8	168	-177.8	0	0	0	0	109.5	V45 S49	V45-S47 PolarHBondContact O-N 3.3Å; V45-S47 VanDerWaalsContact O-N 3.14Å; S47-S49 PolarHBondContact O-N 3.42Å
48	E	35.8	Very low	43.7	Very low	184 Å²	184	111.8 Å²	111.8	86%	0.86	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-69.8	3	-177.6	-60.5	176.9	127	0	0	113.6	S50	E48-S50 PolarHBondContact O-N 2.9Å; E48-S50 VanDerWaalsContact O-N 3.15Å
49	S	42.6	Very low	44.2	Very low	94 Å²	94	104.5 Å²	104.5	66%	0.657	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-69.6	-6.2	-174.6	-169.6	0	0	0	0	116.1	S47	S47-S49 PolarHBondContact O-N 3.42Å
50	S	49.1	Very low	45	Very low	93 Å²	93	103.5 Å²	103.5	65%	0.65	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-78.1	-26.7	-176	-170.2	0	0	0	0	113.3	E48 E52	E48-S50 PolarHBondContact O-N 2.9Å; E48-S50 VanDerWaalsContact O-N 3.15Å; S50-E52 PolarHBondContact O-N 3.07Å
51	D	48.8	Very low	45.8	Very low	68 Å²	68	103.5 Å²	103.5	36%	0.364	61%	0.607	S	S	.	*	H	α-helix	trans	-70.9	-34.2	-171.8	-84.5	-48.6	0	0	0	113.4	E53 F54 D55 R463	D51-E53 PolarHBondContact O-N 3.41Å; D51-F54 PolarHBondContact O-N 2.97Å; D51-D55 WeakPolarHBondContact O-CB 3.27Å; D51-D55 PolarHBondContact O-N 3.33Å; D51-R463 VanDerWaalsContact CG-NH2 3.31Å; D51-R463 IonicContact OD1-CZ 2.77Å; D51-R463 IonicContact OD1-NH1 3.98Å; D51-R463 PolarHBondContact OD1-NH1 3.1Å; D51-R463 IonicContact OD1-NH2 3.6Å; D51-R463 PolarHBondContact OD1-NH2 2.86Å; D51-R463 IonicContact OD2-NH2 3.61Å
52	E	52.6	Low	46.3	Very low	153 Å²	153	104.6 Å²	104.6	72%	0.715	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-34	179.9	-70.7	-164.5	-159.5	0	0	113.4	S50 N56	S50-E52 PolarHBondContact O-N 3.07Å; E52-N56 VanDerWaalsContact O-CB 3.23Å; E52-N56 WeakPolarHBondContact O-CB 3.22Å; E52-N56 PolarHBondContact O-N 3.34Å; E52-N56 PolarHBondContact O-ND2 2.99Å
53	E	54.9	Low	46.5	Very low	160 Å²	160	101 Å²	101	75%	0.748	57%	0.569	S	S	*	*	H	α-helix	trans	-70.5	-40.1	176.7	-173.7	170.9	-164.8	0	0	111.2	D51 N56 F57	D51-E53 PolarHBondContact O-N 3.41Å; E53-N56 PolarHBondContact O-N 3.31Å; E53-F57 PolarHBondContact O-N 3.09Å
54	F	48.3	Very low	46.2	Very low	75 Å²	75	100 Å²	100	33%	0.329	56%	0.559	S	S	.	*	H	α-helix	trans	-67.7	-43.9	176.4	-176.3	-99.1	0	0	0	112.3	D51 N56 F57 L58 L460	D51-F54 PolarHBondContact O-N 2.97Å; F54-N56 VanDerWaalsContact C-N 3.34Å; F54-N56 PolarHBondContact O-N 3.05Å; F54-F57 WeakPolarHBondContact O-CB 3.37Å; F54-F57 PolarHBondContact O-N 3.14Å; F54-F57 VanDerWaalsContact O-N 3.13Å; F54-L58 HydrophobicContact CD1-CD1 4.05Å; F54-L58 HydrophobicContact CD1-CG 4.41Å; F54-L58 HydrophobicContact CE1-CD1 3.66Å; F54-L58 HydrophobicContact CE1-CG 4.2Å; F54-L58 HydrophobicContact CZ-CD1 4.36Å; F54-L58 WeakPolarHBondContact O-CG 3.35Å; F54-L58 PolarHBondContact O-N 3.49Å; F54-L460 HydrophobicContact CZ-CB 4.18Å; F54-L460 HydrophobicContact CZ-CD1 3.81Å
55	D	52.8	Low	46.4	Very low	60 Å²	60	103.8 Å²	103.8	32%	0.321	56%	0.556	S	S	.	*	H	α-helix	trans	-69.7	-33.5	178.1	-70.3	-11.9	0	0	0	111	D51 L58 V59 R463	D51-D55 WeakPolarHBondContact O-CB 3.27Å; D51-D55 PolarHBondContact O-N 3.33Å; D55-L58 PolarHBondContact O-N 3.48Å; D55-V59 WeakPolarHBondContact O-CB 3.39Å; D55-V59 WeakPolarHBondContact O-CG2 3.44Å; D55-V59 PolarHBondContact O-N 3.22Å; D55-R463 WeakPolarHBondContact OD1-CD 3.37Å; D55-R463 IonicContact OD1-CZ 3.63Å; D55-R463 IonicContact OD1-NE 2.7Å; D55-R463 IonicContact OD1-NH1 3.15Å; D55-R463 PolarHBondContact OD1-NH1 3.5Å; D55-R463 IonicContact OD2-CZ 2.65Å; D55-R463 IonicContact OD2-NH1 2.8Å
56	N	58.1	Low	46.3	Very low	102 Å²	102	102.9 Å²	102.9	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-39.2	167.5	-85.7	-60.1	0	0	0	112.6	E52 E53 F54 V59 K60	E52-N56 VanDerWaalsContact O-CB 3.23Å; E52-N56 WeakPolarHBondContact O-CB 3.22Å; E52-N56 PolarHBondContact O-N 3.34Å; E52-N56 PolarHBondContact O-ND2 2.99Å; E53-N56 PolarHBondContact O-N 3.31Å; F54-N56 VanDerWaalsContact C-N 3.34Å; F54-N56 PolarHBondContact O-N 3.05Å; N56-V59 PolarHBondContact O-N 3.21Å; N56-K60 WeakPolarHBondContact O-CB 3.38Å; N56-K60 PolarHBondContact O-N 3.19Å
57	F	67.8	Low	46.1	Very low	114 Å²	114	106.8 Å²	106.8	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-43	173.2	173.3	-86.3	0	0	0	111.6	E53 F54 K60 N61	E53-F57 PolarHBondContact O-N 3.09Å; F54-F57 WeakPolarHBondContact O-CB 3.37Å; F54-F57 PolarHBondContact O-N 3.14Å; F54-F57 VanDerWaalsContact O-N 3.13Å; F57-K60 PolarHBondContact O-N 3.18Å; F57-N61 WeakPolarHBondContact CD2-ND2 3.4Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.45Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.35Å; F57-N61 WeakPolarHBondContact O-CB 3.43Å; F57-N61 PolarHBondContact O-N 2.97Å; F57-N61 PolarHBondContact O-ND2 2.94Å
58	L	52.1	Low	46.1	Very low	3 Å²	3	109.4 Å²	109.4	2%	0.016	56%	0.56	C	S	.	*	H	α-helix	trans	-64	-48.4	175.9	-66.4	-178.7	0	0	0	112	F54 D55 K60 N61 F62 L460 R463 L467	F54-L58 HydrophobicContact CD1-CD1 4.05Å; F54-L58 HydrophobicContact CD1-CG 4.41Å; F54-L58 HydrophobicContact CE1-CD1 3.66Å; F54-L58 HydrophobicContact CE1-CG 4.2Å; F54-L58 HydrophobicContact CZ-CD1 4.36Å; F54-L58 WeakPolarHBondContact O-CG 3.35Å; F54-L58 PolarHBondContact O-N 3.49Å; D55-L58 PolarHBondContact O-N 3.48Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 2.83Å; L58-N61 PolarHBondContact O-N 3.05Å; L58-F62 HydrophobicContact CD2-CD2 3.97Å; L58-F62 HydrophobicContact CD2-CE2 4Å; L58-F62 PolarHBondContact O-N 3.17Å; L58-L460 HydrophobicContact CD2-CD1 3.66Å; L58-R463 HydrophobicContact CD1-CB 4.16Å; L58-L467 HydrophobicContact CB-CD1 4.09Å; L58-L467 HydrophobicContact CD1-CD1 4.1Å
59	V	53.8	Low	45.8	Very low	71 Å²	71	110.3 Å²	110.3	43%	0.43	56%	0.561	S	S	.	*	H	α-helix	trans	-58.8	-40.9	176.4	168.4	0	0	0	0	111.1	D55 N56 N61 T63	D55-V59 WeakPolarHBondContact O-CB 3.39Å; D55-V59 WeakPolarHBondContact O-CG2 3.44Å; D55-V59 PolarHBondContact O-N 3.22Å; N56-V59 PolarHBondContact O-N 3.21Å; V59-N61 PolarHBondContact O-N 2.83Å; V59-T63 HydrophobicContact CG1-CG2 4.27Å; V59-T63 WeakPolarHBondContact O-CB 3.02Å; V59-T63 WeakPolarHBondContact O-CG2 3.42Å; V59-T63 PolarHBondContact O-OG1 3.24Å
60	K	56	Low	45.4	Very low	146 Å²	146	111.4 Å²	111.4	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-35.3	-178.5	-176.6	177.6	-179.5	-179.4	0	113.5	N56 F57 L58 K65	N56-K60 WeakPolarHBondContact O-CB 3.38Å; N56-K60 PolarHBondContact O-N 3.19Å; F57-K60 PolarHBondContact O-N 3.18Å; L58-K60 VanDerWaalsContact C-N 3.29Å; L58-K60 PolarHBondContact O-N 2.83Å; K60-K65 PolarHBondContact O-NZ 3.38Å
61	N	47.3	Very low	44.5	Very low	84 Å²	84	116.8 Å²	116.8	45%	0.449	58%	0.581	S	S	.	*	H	α-helix	trans	-105	-28.7	-168.5	-65.5	-18.3	0	0	0	114.6	F57 L58 V59	F57-N61 WeakPolarHBondContact CD2-ND2 3.4Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.45Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.35Å; F57-N61 WeakPolarHBondContact O-CB 3.43Å; F57-N61 PolarHBondContact O-N 2.97Å; F57-N61 PolarHBondContact O-ND2 2.94Å; L58-N61 PolarHBondContact O-N 3.05Å; V59-N61 PolarHBondContact O-N 2.83Å
62	F	44.9	Very low	43.6	Very low	99 Å²	99	123.2 Å²	123.2	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-113.2	1.4	-174	-63.5	-78.7	0	0	0	114.9	L58	L58-F62 HydrophobicContact CD2-CD2 3.97Å; L58-F62 HydrophobicContact CD2-CE2 4Å; L58-F62 PolarHBondContact O-N 3.17Å
63	T	36.3	Very low	43.3	Very low	65 Å²	65	121.3 Å²	121.3	40%	0.399	61%	0.606	S	S	.	*	S	Bend	trans	-90.4	129	172.5	62.5	0	0	0	0	112.4	V59 K65	V59-T63 HydrophobicContact CG1-CG2 4.27Å; V59-T63 WeakPolarHBondContact O-CB 3.02Å; V59-T63 WeakPolarHBondContact O-CG2 3.42Å; V59-T63 PolarHBondContact O-OG1 3.24Å; T63-K65 PolarHBondContact O-N 2.98Å
64	P	34.5	Very low	42	Very low	101 Å²	101	122 Å²	122	66%	0.656	61%	0.613	S	S	*	*			trans	-72.7	117.3	175.1	27.8	-32.9	0	0	0	111.1	T66	P64-T66 PolarHBondContact O-N 2.82Å
65	K	34.7	Very low	41.2	Very low	150 Å²	150	124 Å²	124	65%	0.652	64%	0.637	S	S	*	*			trans	-90.9	78	-175.2	-69	174.3	-173.2	158.5	0	112.4	K60 T63 K67	K60-K65 PolarHBondContact O-NZ 3.38Å; T63-K65 PolarHBondContact O-N 2.98Å; K65-K67 PolarHBondContact O-N 3.45Å
66	T	32.5	Very low	40	Very low	120 Å²	120	126 Å²	126	74%	0.736	66%	0.661	S	S	*	*			trans	-72.1	111.8	175.3	-34.1	0	0	0	0	111.2	P64	P64-T66 PolarHBondContact O-N 2.82Å
67	K	32.6	Very low	38.6	Very low	206 Å²	206	125.4 Å²	125.4	90%	0.896	67%	0.671	S	S	*	*			trans	-85.2	108.4	170.4	-73.6	-176.8	178.5	177.9	0	110.2	K65	K65-K67 PolarHBondContact O-N 3.45Å
68	I	31.5	Very low	36.9	Very low	150 Å²	150	129.6 Å²	129.6	77%	0.769	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-91.7	127.2	170.6	-60.3	174.1	0	0	0	109
69	K	30.6	Very low	35.9	Very low	203 Å²	203	135.8 Å²	135.8	88%	0.883	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-103.9	132.3	163.3	-87	-170.7	173	-174.3	0	108.9
70	P	34.1	Very low	35.2	Very low	116 Å²	116	138 Å²	138	75%	0.753	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-98.1	133.9	175.8	34.9	-30.4	0	0	0	112.4
71	Q	31.1	Very low	33.9	Very low	206 Å²	206	136.2 Å²	136.2	96%	0.963	75%	0.748	S	S	*	*			trans	-146.6	167.7	153.9	-79.4	-154.3	-46.3	0	0	110.7
72	K	30.1	Very low	33.1	Very low	203 Å²	203	137.5 Å²	137.5	88%	0.883	76%	0.764	S	S	*	*			trans	-109.8	168.1	-165.5	-103.4	-173.2	174.3	-175.4	0	112.8
73	P	44.3	Very low	32.4	Very low	113 Å²	113	139.6 Å²	139.6	73%	0.734	78%	0.78	S	S	*	*			trans	-91.1	168.6	-165.5	37.4	-38.4	0	0	0	114.9
74	I	29.3	Very low	32.2	Very low	175 Å²	175	142.8 Å²	142.8	90%	0.897	80%	0.799	S	S	*	*			trans	-153.3	165.5	160.4	-102.8	152.2	0	0	0	109.3
75	S	30.1	Very low	32.2	Very low	117 Å²	117	143.8 Å²	143.8	82%	0.818	81%	0.805	S	S	*	*			trans	-104.4	163.4	-152.9	-48.7	0	0	0	0	117.5
76	A	27.7	Very low	31.9	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	81%	0.809	S	S	*	*			trans	-30.6	153.2	171.7	0	0	0	0	0	120.8
77	A	29.1	Very low	31.8	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	82%	0.815	S	S	*	*				-172.8	149.7	113.6	0	0	0	0	0	115.4
78	K	32.3	Very low	32	Very low	202 Å²	202	138.8 Å²	138.8	88%	0.878	81%	0.808	S	S	*	*			trans	70.4	105.2	153.8	-71.7	176.3	179.1	-178.9	0	122.4
79	T	32	Very low	32	Very low	132 Å²	132	137 Å²	137	81%	0.81	81%	0.809	S	S	*	*			trans	-46.5	166.8	143.1	28.7	0	0	0	0	114.6
80	P	39.2	Very low	31.9	Very low	119 Å²	119	130 Å²	130	77%	0.773	80%	0.795	S	S	*	*			cis	-152.8	157.2	46	43	-21.3	0	0	0	122.8
81	S	28.8	Very low	31.8	Very low	107 Å²	107	130.8 Å²	130.8	75%	0.748	79%	0.793	S	S	*	*			trans	59.5	112.8	133.4	-175.8	0	0	0	0	123.3
82	S	30.6	Very low	32.3	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	79%	0.788	S	S	*	*				-162.1	120.2	114.7	60.7	0	0	0	0	114.3
83	N	30.1	Very low	33	Very low	143 Å²	143	126 Å²	126	77%	0.765	78%	0.777	S	S	*	*			trans	24.2	114.2	149.6	-58.1	-12.1	0	0	0	120.2
84	V	30.7	Very low	33.1	Very low	133 Å²	133	126.7 Å²	126.7	81%	0.806	78%	0.775	S	S	*	*				69.9	130.4	83.3	167.4	0	0	0	0	112.6
85	P	35.1	Very low	33.7	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	76%	0.763	S	S	*	*			cis	-121.2	163.6	31	37.4	-23.5	0	0	0	117.8
86	V	29.3	Very low	34.5	Very low	121 Å²	121	125.4 Å²	125.4	73%	0.733	75%	0.75	S	S	*	*			trans	-104.2	141.5	173	170.8	0	0	0	0	109.1	S88	V86-S88 WeakPolarHBondContact CG1-OG 3.16Å
87	V	29.9	Very low	35.6	Very low	143 Å²	143	124.4 Å²	124.4	87%	0.867	73%	0.734	S	S	*	*			trans	-108.6	125.8	160.4	179.1	0	0	0	0	107.6
88	S	35.4	Very low	36.4	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	72%	0.724	S	S	*	*			trans	-154.8	115.3	174.2	-69.8	0	0	0	0	110.4	V86	V86-S88 WeakPolarHBondContact CG1-OG 3.16Å
89	S	32.1	Very low	37.1	Very low	113 Å²	113	120.4 Å²	120.4	79%	0.79	70%	0.704	S	S	*	*			trans	-148.1	145.5	161.9	-128.5	0	0	0	0	103.3
90	G	28.6	Very low	37.8	Very low	57 Å²	57	120.3 Å²	120.3	59%	0.588	69%	0.694	S	S	*	*				93.7	126.4	52.4	0	0	0	0	0	107.6
91	D	33.2	Very low	38	Very low	131 Å²	131	122.4 Å²	122.4	70%	0.701	69%	0.694	S	S	*	*			cis	-149.2	144.8	13.9	-54.9	-61.6	0	0	0	111.4
92	E	41.3	Very low	38.6	Very low	185 Å²	185	122 Å²	122	86%	0.864	69%	0.686	S	S	*	*	S	Bend	trans	-116.6	-8.2	167.1	-70.5	-91.9	156.9	0	0	111.7	D94	E92-D94 VanDerWaalsContact C-N 3.35Å; E92-D94 PolarHBondContact O-N 2.67Å
93	D	44.4	Very low	38.9	Very low	123 Å²	123	125 Å²	125	66%	0.658	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-7.9	-173.9	-63.1	-71	0	0	0	114.6	F95 T97	D93-F95 VanDerWaalsContact C-N 3.34Å; D93-F95 PolarHBondContact O-N 3.19Å; D93-T97 PolarHBondContact O-N 3.01Å; D93-T97 PolarHBondContact O-OG1 3.43Å
94	D	45.3	Very low	39.6	Very low	128 Å²	128	124.1 Å²	124.1	68%	0.684	69%	0.685	S	S	*	*	H	α-helix	trans	-70.5	-29.4	-172.9	-152.6	30.9	0	0	0	112.4	E92 F98	E92-D94 VanDerWaalsContact C-N 3.35Å; E92-D94 PolarHBondContact O-N 2.67Å; D94-F98 WeakPolarHBondContact O-CB 3.44Å; D94-F98 PolarHBondContact O-N 2.94Å; D94-F98 VanDerWaalsContact O-N 3.09Å
95	F	42	Very low	39.7	Very low	147 Å²	147	124 Å²	124	65%	0.645	69%	0.687	S	S	*	*	H	α-helix	trans	-77.9	-37.2	-180	-165.7	-105.3	0	0	0	113.5	D93 T97 F98 L99	D93-F95 VanDerWaalsContact C-N 3.34Å; D93-F95 PolarHBondContact O-N 3.19Å; F95-T97 VanDerWaalsContact C-N 3.35Å; F95-F98 PolarHBondContact O-N 3.22Å; F95-L99 HydrophobicContact CD1-CD1 4.07Å; F95-L99 HydrophobicContact CE1-CD1 3.74Å; F95-L99 HydrophobicContact CE1-CG 4.36Å; F95-L99 HydrophobicContact CZ-CD1 4.41Å; F95-L99 WeakPolarHBondContact O-CG 3.49Å; F95-L99 PolarHBondContact O-N 2.99Å
96	E	47.8	Very low	39.5	Very low	118 Å²	118	123.1 Å²	123.1	55%	0.551	69%	0.69	S	S	*	*	H	α-helix	trans	-69.1	-38	176	-167.5	65.7	-146.8	0	0	110.4	L99 Q100	E96-L99 PolarHBondContact O-N 2.68Å; E96-Q100 WeakPolarHBondContact O-CG 3.45Å; E96-Q100 PolarHBondContact O-N 3.02Å
97	T	49.6	Very low	39.7	Very low	80 Å²	80	121.8 Å²	121.8	49%	0.491	69%	0.692	S	S	.	*	H	α-helix	trans	-63.2	-45.5	175	-53.9	0	0	0	0	111.5	D93 F95 L99 Q100 Q101	D93-T97 PolarHBondContact O-N 3.01Å; D93-T97 PolarHBondContact O-OG1 3.43Å; F95-T97 VanDerWaalsContact C-N 3.35Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-Q100 PolarHBondContact O-N 3.38Å; T97-Q101 PolarHBondContact O-N 3.36Å; T97-Q101 VanDerWaalsContact O-N 3.13Å
98	F	46.3	Very low	39.8	Very low	123 Å²	123	124.9 Å²	124.9	54%	0.539	69%	0.694	S	S	.	*	H	α-helix	trans	-55.8	-45.6	173.9	179.3	-100.2	0	0	0	112.4	D94 F95 Q100 Q101 V102	D94-F98 WeakPolarHBondContact O-CB 3.44Å; D94-F98 PolarHBondContact O-N 2.94Å; D94-F98 VanDerWaalsContact O-N 3.09Å; F95-F98 PolarHBondContact O-N 3.22Å; F98-Q100 VanDerWaalsContact C-N 3.28Å; F98-Q100 PolarHBondContact O-N 3.35Å; F98-Q101 PolarHBondContact O-N 3.5Å; F98-Q101 VanDerWaalsContact O-N 3.14Å; F98-V102 WeakPolarHBondContact O-CG2 3.49Å
99	L	46.7	Very low	39.5	Very low	86 Å²	86	123.9 Å²	123.9	45%	0.45	69%	0.692	S	S	.	*	H	α-helix	trans	-68	-23.7	-180	-70.5	177.6	0	0	0	114.1	F95 E96 T97	F95-L99 HydrophobicContact CD1-CD1 4.07Å; F95-L99 HydrophobicContact CE1-CD1 3.74Å; F95-L99 HydrophobicContact CE1-CG 4.36Å; F95-L99 HydrophobicContact CZ-CD1 4.41Å; F95-L99 WeakPolarHBondContact O-CG 3.49Å; F95-L99 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 2.68Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 3.19Å
100	Q	47.1	Very low	39.4	Very low	130 Å²	130	130 Å²	130	61%	0.607	70%	0.698	S	S	*	*	H	α-helix	trans	-78.9	-31.8	171.8	-66.7	-177.7	35.8	0	0	112.1	E96 T97 F98 V102	E96-Q100 WeakPolarHBondContact O-CG 3.45Å; E96-Q100 PolarHBondContact O-N 3.02Å; T97-Q100 PolarHBondContact O-N 3.38Å; F98-Q100 VanDerWaalsContact C-N 3.28Å; F98-Q100 PolarHBondContact O-N 3.35Å; Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 3.37Å
101	Q	43.2	Very low	39.5	Very low	164 Å²	164	133.5 Å²	133.5	77%	0.766	71%	0.708	S	S	*	*	H	α-helix	trans	-72.8	-18.8	-176.8	-158.1	170.5	16	0	0	114.4	T97 F98 K103	T97-Q101 PolarHBondContact O-N 3.36Å; T97-Q101 VanDerWaalsContact O-N 3.13Å; F98-Q101 PolarHBondContact O-N 3.5Å; F98-Q101 VanDerWaalsContact O-N 3.14Å; Q101-K103 PolarHBondContact O-N 3.15Å
102	V	41.7	Very low	39.3	Very low	98 Å²	98	136.7 Å²	136.7	59%	0.594	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	1.7	178.5	-118.5	0	0	0	0	115.2	F98 Q100 T104	F98-V102 WeakPolarHBondContact O-CG2 3.49Å; Q100-V102 VanDerWaalsContact C-N 3.33Å; Q100-V102 PolarHBondContact O-N 3.37Å; V102-T104 PolarHBondContact O-N 3.27Å; V102-T104 VanDerWaalsContact O-N 3.15Å
103	K	37.3	Very low	38.9	Very low	174 Å²	174	133.5 Å²	133.5	76%	0.757	71%	0.709	S	S	*	*	S	Bend	trans	-83.2	89.6	176.4	-79.9	178.8	179.7	166.5	0	112.7	Q101	Q101-K103 PolarHBondContact O-N 3.15Å
104	T	45.1	Very low	38.3	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	71%	0.709	S	S	*	*			trans	-3.5	124.4	160	55.7	0	0	0	0	118.7	V102	V102-T104 PolarHBondContact O-N 3.27Å; V102-T104 VanDerWaalsContact O-N 3.15Å
105	P	33.2	Very low	37.6	Very low	129 Å²	129	134.5 Å²	134.5	84%	0.838	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-81.4	144.6	149	-7.1	25.6	0	0	0	111.2
106	A	30.4	Very low	36.9	Very low	104 Å²	104	131 Å²	131	86%	0.86	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-89.4	163.2	170.8	0	0	0	0	0	112.1
107	A	33.5	Very low	36.3	Very low	93 Å²	93	131 Å²	131	77%	0.769	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-70.1	156.3	-167.4	0	0	0	0	0	116.2
108	K	31.3	Very low	35.6	Very low	207 Å²	207	135.1 Å²	135.1	90%	0.9	75%	0.752	S	S	*	*				-169.5	135.4	118.9	-104.1	163.6	-172.6	178.7	0	116.2
109	A	28.7	Very low	35.1	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	77%	0.766	S	S	*	*			trans	73.5	119.6	141.6	0	0	0	0	0	123.6
110	R	30.6	Very low	34.6	Very low	240 Å²	240	137.9 Å²	137.9	91%	0.906	78%	0.781	S	S	*	*			trans	70.1	147.3	149.9	-66.5	-177.6	171	-171.9	-3.8	117.4
111	T	30	Very low	34.3	Very low	132 Å²	132	140.5 Å²	140.5	81%	0.81	80%	0.798	S	S	*	*			cis	-147.1	162	0.2	-13.9	0	0	0	0	113
112	R	30.2	Very low	34.3	Very low	197 Å²	197	141.5 Å²	141.5	74%	0.743	80%	0.8	S	S	*	*			trans	-31.7	140.9	171.6	179.5	-173.6	-175.6	177.4	4.3	118.5	E114	R112-E114 IonicContact CZ-OE1 3.58Å; R112-E114 IonicContact NE-OE1 3.52Å; R112-E114 IonicContact NE-OE2 3.99Å; R112-E114 IonicContact NH2-OE1 2.63Å; R112-E114 PolarHBondContact NH2-OE1 3.15Å
113	S	31.9	Very low	34.3	Very low	118 Å²	118	144.1 Å²	144.1	83%	0.825	81%	0.811	S	S	*	*			trans	-155.8	152.9	137.8	-89.4	0	0	0	0	110.3
114	E	31.5	Very low	34.2	Very low	145 Å²	145	145.3 Å²	145.3	68%	0.678	82%	0.816	S	S	*	*			trans	-88.5	145.2	-178.4	-69.4	109	159.4	0	0	114.9	R112	R112-E114 IonicContact CZ-OE1 3.58Å; R112-E114 IonicContact NE-OE1 3.52Å; R112-E114 IonicContact NE-OE2 3.99Å; R112-E114 IonicContact NH2-OE1 2.63Å; R112-E114 PolarHBondContact NH2-OE1 3.15Å
115	S	30.8	Very low	33.9	Very low	128 Å²	128	146.7 Å²	146.7	90%	0.895	82%	0.817	S	S	*	*				-165.4	153.2	125.6	-164.4	0	0	0	0	109.5
116	G	28.6	Very low	34.1	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	81%	0.813	S	S	*	*			trans	-119.3	159.8	-170.2	0	0	0	0	0	115.1
117	S	34.8	Very low	34.2	Very low	117 Å²	117	148 Å²	148	82%	0.818	81%	0.807	S	S	*	*			trans	-163.5	127	157.6	-175.5	0	0	0	0	107.6
118	E	35.8	Very low	34.3	Very low	167 Å²	167	150.5 Å²	150.5	78%	0.78	81%	0.807	S	S	*	*			trans	-86.4	173.4	-177.5	55.9	-103.8	74.6	0	0	115.6
119	D	34	Very low	34.4	Very low	159 Å²	159	150.6 Å²	150.6	85%	0.85	81%	0.808	S	S	*	*			trans	51	108.2	167.4	-81.5	-16.4	0	0	0	120
120	S	37.6	Very low	34.6	Very low	108 Å²	108	151.9 Å²	151.9	76%	0.755	81%	0.812	S	S	*	*				169	87.6	100	-171.6	0	0	0	0	111.9
121	L	39.4	Very low	34.8	Very low	185 Å²	185	145.7 Å²	145.7	97%	0.969	81%	0.805	S	S	*	*			trans	-122.3	70.1	170.6	-79.3	174.9	0	0	0	111.5
122	K	43.6	Very low	34.9	Very low	185 Å²	185	146.5 Å²	146.5	80%	0.804	81%	0.805	S	S	*	*			trans	-114.8	156.2	157.3	-70.3	175.7	-177.8	167.5	0	108.2
123	N	41.6	Very low	35.5	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	81%	0.811	S	S	*	*			trans	76	73.3	-178.3	-45	-26.7	0	0	0	116.1
124	F	34.8	Very low	35.9	Very low	198 Å²	198	147.9 Å²	147.9	87%	0.868	81%	0.812	S	S	*	*			trans	-160.6	58.2	137.1	-122.6	-75.2	0	0	0	114
125	I	38.7	Very low	35.8	Very low	155 Å²	155	150.4 Å²	150.4	80%	0.795	82%	0.82	S	S	*	*			trans	-126.9	92.1	160.7	-56.5	179.8	0	0	0	107.7
126	V	38.3	Very low	36.4	Very low	123 Å²	123	151.2 Å²	151.2	75%	0.745	81%	0.814	S	S	*	*			trans	-96	114.7	167.8	178.6	0	0	0	0	107.3
127	N	33.3	Very low	36.6	Very low	138 Å²	138	156.3 Å²	156.3	74%	0.738	82%	0.818	S	S	*	*			trans	-76.4	133	170.2	-70.3	-42.8	0	0	0	109.2
128	D	33.9	Very low	36.3	Very low	144 Å²	144	156.7 Å²	156.7	77%	0.77	82%	0.816	S	S	*	*			trans	-140.2	63.5	164.7	-148.3	-12.1	0	0	0	111.4
129	F	35.2	Very low	36.3	Very low	210 Å²	210	158 Å²	158	92%	0.921	82%	0.819	S	S	*	*			trans	-103.4	71.7	166.9	-89.5	-79.6	0	0	0	109.3	S131	F129-S131 PolarHBondContact O-N 2.99Å
130	S	32.5	Very low	36.2	Very low	113 Å²	113	157.3 Å²	157.3	79%	0.79	82%	0.821	S	S	*	*			trans	-78.5	115.6	168.4	-170.5	0	0	0	0	110.3
131	S	33.8	Very low	35.8	Very low	111 Å²	111	156.6 Å²	156.6	78%	0.776	82%	0.816	S	S	*	*			trans	-144.5	125.8	170.8	-176.6	0	0	0	0	108.5	F129	F129-S131 PolarHBondContact O-N 2.99Å
132	D	32.7	Very low	35.4	Very low	148 Å²	148	154.8 Å²	154.8	79%	0.791	81%	0.806	S	S	*	*			trans	-61.6	140.9	174.1	-51.8	-67	0	0	0	111.3
133	E	42.6	Very low	34.9	Very low	189 Å²	189	154.9 Å²	154.9	88%	0.883	81%	0.806	S	S	*	*			trans	-149.3	136.7	136.4	-78.7	-57	167.6	0	0	107.6
134	D	39.8	Very low	34.4	Very low	156 Å²	156	154 Å²	154	83%	0.834	81%	0.806	S	S	*	*			trans	-77.4	152.5	179.9	-78.2	-61.9	0	0	0	112.6
135	F	30.7	Very low	34.4	Very low	197 Å²	197	150.3 Å²	150.3	86%	0.864	80%	0.802	S	S	*	*			trans	-140.1	137.5	157.8	-152.6	-96.4	0	0	0	111.5
136	L	41.9	Very low	34.2	Very low	145 Å²	145	151.8 Å²	151.8	76%	0.759	81%	0.806	S	S	*	*			trans	-110.2	178.9	179.6	-70.7	173.3	0	0	0	110.7
137	E	33.9	Very low	34	Very low	181 Å²	181	154.3 Å²	154.3	85%	0.846	81%	0.806	S	S	*	*			trans	78.9	147.3	177.9	-55	-166.8	177.1	0	0	116.4
138	T	28.6	Very low	34	Very low	125 Å²	125	156.1 Å²	156.1	77%	0.767	81%	0.814	S	S	*	*			cis	-154.4	161.7	-20.8	-94.9	0	0	0	0	109.4
139	K	36.1	Very low	33.9	Very low	196 Å²	196	157 Å²	157	85%	0.852	81%	0.811	S	S	*	*			trans	-64.5	141.3	-170.2	-51.8	167.5	-176.1	170.4	0	115.7
140	T	30.9	Very low	33.6	Very low	144 Å²	144	153.5 Å²	153.5	88%	0.883	81%	0.807	S	S	*	*				-170.2	164.7	129.5	36.7	0	0	0	0	107.9
141	S	29.5	Very low	33.8	Very low	93 Å²	93	154.1 Å²	154.1	65%	0.65	81%	0.809	S	S	*	*			cis	-177.1	157.8	-35.8	-173.5	0	0	0	0	106.5
142	L	31.2	Very low	33.8	Very low	146 Å²	146	153.7 Å²	153.7	76%	0.764	81%	0.812	S	S	*	*			trans	68.4	149.7	178.9	-44.5	176.2	0	0	0	114.2
143	K	32.3	Very low	33.8	Very low	188 Å²	188	150.3 Å²	150.3	82%	0.817	81%	0.812	S	S	*	*			cis	-149.2	159.9	-5.5	-126.8	169.3	-174	179.7	0	108.9
144	V	32.8	Very low	33.4	Very low	134 Å²	134	150.6 Å²	150.6	81%	0.812	81%	0.814	S	S	*	*			trans	-111.9	143.5	-173	172.9	0	0	0	0	111.6
145	P	34.3	Very low	33.2	Very low	121 Å²	121	154.6 Å²	154.6	79%	0.786	82%	0.817	S	S	*	*			trans	-114.2	166	141	-7	27.5	0	0	0	114.8
146	Q	34.7	Very low	33.3	Very low	185 Å²	185	151 Å²	151	86%	0.864	81%	0.813	S	S	*	*			trans	-73.4	169.9	-171.7	-69.6	167.3	2.4	0	0	113.4
147	K	34.2	Very low	32.8	Very low	176 Å²	176	154.2 Å²	154.2	77%	0.765	82%	0.822	S	S	*	*			cis	150.2	102	-14.6	-175.5	-174.8	-170	178.1	0	106.2
148	I	32.5	Very low	32.7	Very low	176 Å²	176	157.1 Å²	157.1	90%	0.903	83%	0.825	S	S	*	*			trans	-124.2	153.4	169.7	-60.1	179.5	0	0	0	108
149	K	31.6	Very low	32.8	Very low	163 Å²	163	162.3 Å²	162.3	71%	0.709	83%	0.83	S	S	*	*			trans	-123.2	148.4	-172.3	-74.9	-172	175.4	-175.5	0	113.6
150	T	29	Very low	32.5	Very low	136 Å²	136	158.7 Å²	158.7	83%	0.834	83%	0.827	S	S	*	*			trans	64.6	159.4	155.6	34	0	0	0	0	117.9
151	P	36.4	Very low	32.5	Very low	126 Å²	126	159.6 Å²	159.6	82%	0.818	83%	0.825	S	S	*	*			cis	-110.1	-176.6	-3.7	39.7	-28.7	0	0	0	113.8
152	A	34.9	Very low	33.1	Very low	103 Å²	103	159.8 Å²	159.8	85%	0.851	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-87.6	125.2	-176.3	0	0	0	0	0	113.2
153	G	31.8	Very low	33.7	Very low	77 Å²	77	160.9 Å²	160.9	79%	0.794	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-83.2	139.6	168.3	0	0	0	0	0	112.3
154	Q	34.6	Very low	34	Very low	195 Å²	195	159.3 Å²	159.3	91%	0.911	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71.1	144.4	179.9	-66.7	175.2	-18.9	0	0	112
155	R	34.8	Very low	33.9	Very low	239 Å²	239	159.7 Å²	159.7	90%	0.902	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.1	131	168.3	-68.9	-178	176.8	-177.6	-1	109.6
156	P	33.6	Very low	34	Very low	122 Å²	122	155.7 Å²	155.7	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.1	133.3	174.6	27.8	-33.5	0	0	0	111.1	R158	P156-R158 PolarHBondContact O-N 2.83Å
157	F	31.2	Very low	34.4	Very low	212 Å²	212	151.2 Å²	151.2	93%	0.93	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.2	170.3	-90	-106.7	0	0	0	110.3
158	R	31.1	Very low	35	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-81.2	121.6	161.2	-77.8	-169	173.8	-165.7	-1.4	109.2	P156	P156-R158 PolarHBondContact O-N 2.83Å
159	R	31.6	Very low	35.8	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-63.1	143.9	166.5	-73.6	177.9	170.6	165.3	-4.3	109.9
160	P	29	Very low	36.8	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.2	134	169.8	-18.7	32	0	0	0	111.2	A162	P160-A162 PolarHBondContact O-N 3.35Å; P160-A162 VanDerWaalsContact O-N 3.12Å
161	L	30.7	Very low	37.8	Very low	164 Å²	164	133 Å²	133	86%	0.859	71%	0.711	S	S	*	*			trans	-84.2	80.6	174.5	-165.5	79.9	0	0	0	110	Q163	L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 3.43Å
162	A	42.7	Very low	37.8	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	71%	0.706	S	S	*	*			trans	-80.6	64.8	-176.4	0	0	0	0	0	113.1	P160	P160-A162 PolarHBondContact O-N 3.35Å; P160-A162 VanDerWaalsContact O-N 3.12Å
163	Q	43	Very low	38.3	Very low	169 Å²	169	131.6 Å²	131.6	79%	0.79	69%	0.688	S	S	*	*			trans	-142.9	158.6	170.6	-97.8	171.8	-0.8	0	0	111.3	L161	L161-Q163 VanDerWaalsContact C-N 3.29Å; L161-Q163 PolarHBondContact O-N 3.43Å
164	L	38.6	Very low	38.5	Very low	155 Å²	155	129.7 Å²	129.7	81%	0.812	67%	0.668	S	S	*	*			trans	57	76.3	-177.8	-65.8	172	0	0	0	116.4
165	N	31.9	Very low	38.8	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	66%	0.661	S	S	*	*			trans	-133.4	127.8	135.8	-88.5	-54.1	0	0	0	109.7	K409	N165-K409 WeakPolarHBondContact O-CE 3.24Å; N165-K409 PolarHBondContact O-NZ 2.97Å
166	S	36.9	Very low	39.4	Very low	36 Å²	36	123.8 Å²	123.8	25%	0.252	66%	0.661	S	S	.	*			trans	-113.3	141.5	158.2	-165.1	0	0	0	0	104.9	V168	S166-V168 PolarHBondContact O-N 3.3Å
167	P	42.2	Very low	39.8	Very low	91 Å²	91	124.4 Å²	124.4	59%	0.591	66%	0.657	S	S	*	*			trans	-60.6	112.1	-172	24.4	-34.5	0	0	0	111	F169	P167-F169 HydrophobicContact CB-CD2 4.35Å; P167-F169 HydrophobicContact CB-CE2 3.63Å; P167-F169 HydrophobicContact CB-CZ 3.96Å; P167-F169 HydrophobicContact CG-CE2 3.88Å; P167-F169 HydrophobicContact CG-CZ 4.39Å; P167-F169 WeakPolarHBondContact O-CD2 3.49Å; P167-F169 WeakPolarHBondContact O-CE2 3.45Å
168	V	47.8	Very low	40.3	Very low	76 Å²	76	122.6 Å²	122.6	46%	0.461	66%	0.657	S	S	.	*			trans	-83.4	121.5	176.8	175.5	0	0	0	0	107.7	S166 V404	S166-V168 PolarHBondContact O-N 3.3Å; V168-V404 HydrophobicContact CG1-CG1 3.58Å
169	F	47.3	Very low	40.8	Very low	88 Å²	88	118.1 Å²	118.1	39%	0.386	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	117.9	176.7	-62.5	-91.8	0	0	0	110.1	P167 T405 R451	P167-F169 HydrophobicContact CB-CD2 4.35Å; P167-F169 HydrophobicContact CB-CE2 3.63Å; P167-F169 HydrophobicContact CB-CZ 3.96Å; P167-F169 HydrophobicContact CG-CE2 3.88Å; P167-F169 HydrophobicContact CG-CZ 4.39Å; P167-F169 WeakPolarHBondContact O-CD2 3.49Å; P167-F169 WeakPolarHBondContact O-CE2 3.45Å; F169-T405 PolarHBondContact O-N 3.48Å; F169-R451 VanDerWaalsContact CD1-NH2 3.34Å; F169-R451 VanDerWaalsContact CE2-NH1 3.26Å
170	V	54.5	Low	41.3	Very low	84 Å²	84	111.8 Å²	111.8	51%	0.509	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.6	138.3	163.6	-174.4	0	0	0	0	107.3	D172 Y402	V170-D172 PolarHBondContact O-N 3.17Å; V170-Y402 HydrophobicContact CG1-CD2 4.28Å; V170-Y402 HydrophobicContact CG1-CG 4.11Å
171	S	48.3	Very low	41.8	Very low	22 Å²	22	108.2 Å²	108.2	15%	0.154	61%	0.605	C	S	.	*	P	Polyproline II helix	trans	-66.7	117.3	171.5	-69.4	0	0	0	0	109.9	S173 C403	S171-S173 PolarHBondContact O-N 3.09Å; S171-S173 PolarHBondContact O-OG 3.17Å; S171-C403 PolarHBondContact N-O 3.08Å
172	D	36.8	Very low	42.4	Very low	132 Å²	132	105.8 Å²	105.8	71%	0.706	59%	0.591	S	S	*	*	S	Bend	trans	-62.3	120.7	-175	-172.7	7.3	0	0	0	111.5	V170 G174	V170-D172 PolarHBondContact O-N 3.17Å; D172-G174 PolarHBondContact OD1-N 2.91Å
173	S	45.7	Very low	42	Very low	66 Å²	66	106.2 Å²	106.2	46%	0.462	58%	0.578	S	S	.	*			trans	-154.2	24.3	178.1	50.6	0	0	0	0	110	S171	S171-S173 PolarHBondContact O-N 3.09Å; S171-S173 PolarHBondContact O-OG 3.17Å
174	G	37.2	Very low	41.5	Very low	37 Å²	37	107 Å²	107	38%	0.381	57%	0.574	S	S	.	*	S	Bend	trans	-156.6	93.6	-172.1	0	0	0	0	0	111.4	D172 D176	D172-G174 PolarHBondContact OD1-N 2.91Å; G174-D176 PolarHBondContact O-N 2.68Å
175	D	39.2	Very low	40.9	Very low	144 Å²	144	103.8 Å²	103.8	77%	0.77	56%	0.564	S	S	*	*			trans	-47.5	123.8	171.8	-59.5	-70.4	0	0	0	110.8	D177	D175-D177 VanDerWaalsContact C-N 3.34Å; D175-D177 PolarHBondContact O-N 2.92Å; D175-D177 VanDerWaalsContact O-N 3.08Å
176	D	48.6	Very low	41	Very low	166 Å²	166	102 Å²	102	89%	0.888	56%	0.561	S	S	*	*			trans	-78.6	83.7	172.2	-90.7	-31.3	0	0	0	109.6	G174	G174-D176 PolarHBondContact O-N 2.68Å
177	D	41.3	Very low	40.6	Very low	136 Å²	136	110.9 Å²	110.9	73%	0.727	59%	0.589	S	S	*	*			trans	-118.7	127.1	158.8	-99.5	-42.6	0	0	0	109.6	D175 E179	D175-D177 VanDerWaalsContact C-N 3.34Å; D175-D177 PolarHBondContact O-N 2.92Å; D175-D177 VanDerWaalsContact O-N 3.08Å; D177-E179 PolarHBondContact O-N 3.42Å
178	D	42.7	Very low	40.1	Very low	173 Å²	173	116.6 Å²	116.6	93%	0.925	60%	0.604	S	S	*	*			trans	-82.7	55.8	-178	-111.8	-32.3	0	0	0	111.9
179	E	40.9	Very low	39.6	Very low	148 Å²	148	118.7 Å²	118.7	69%	0.692	62%	0.618	S	S	*	*			trans	-140.2	139.8	163.4	-101.3	-54.1	171.5	0	0	114.1	D177 I181	D177-E179 PolarHBondContact O-N 3.42Å; E179-I181 HydrophobicContact CB-CD1 4.04Å; E179-I181 HydrophobicContact CG-CD1 4.22Å; E179-I181 PolarHBondContact O-N 3.12Å; E179-I181 WeakPolarHBondContact OE2-CD1 3.35Å
180	N	41.5	Very low	38.8	Very low	103 Å²	103	125.2 Å²	125.2	55%	0.551	64%	0.64	S	S	*	*			trans	-98.7	46.8	-165.1	-160.5	-22.3	0	0	0	112.8	R500	N180-R500 VanDerWaalsContact CG-NH2 3.28Å; N180-R500 PolarHBondContact O-NH1 3.3Å; N180-R500 PolarHBondContact O-NH2 3.25Å; N180-R500 PolarHBondContact OD1-NH1 3.08Å; N180-R500 PolarHBondContact OD1-NH2 3.46Å
181	I	40.7	Very low	37.7	Very low	44 Å²	44	130.3 Å²	130.3	23%	0.226	66%	0.658	C	S	.	*			trans	-123.7	109.7	-179.1	-56.9	97.9	0	0	0	111.1	E179 M183 A513	E179-I181 HydrophobicContact CB-CD1 4.04Å; E179-I181 HydrophobicContact CG-CD1 4.22Å; E179-I181 PolarHBondContact O-N 3.12Å; E179-I181 WeakPolarHBondContact OE2-CD1 3.35Å; I181-M183 HydrophobicContact CG2-CG 4.14Å; I181-M183 PolarHBondContact O-N 2.91Å; I181-A513 HydrophobicContact CD1-CB 3.67Å; I181-A513 HydrophobicContact CG1-CB 3.77Å
182	I	43.7	Very low	37	Very low	113 Å²	113	134 Å²	134	58%	0.579	68%	0.683	S	S	*	*			trans	-74.5	97.5	164.9	-63.1	173.7	0	0	0	108.2	R184 Y485	I182-R184 PolarHBondContact O-N 3.18Å; I182-R184 VanDerWaalsContact O-N 3.16Å; I182-Y485 VanDerWaalsContact CD1-OH 3.27Å; I182-Y485 WeakPolarHBondContact CD1-OH 3.34Å
183	M	33.3	Very low	36.8	Very low	105 Å²	105	137.6 Å²	137.6	52%	0.517	69%	0.692	S	S	.	*			trans	-73.3	96.5	171.5	-90.3	-69.2	-74.9	0	0	110.8	I181 S185 L514	I181-M183 HydrophobicContact CG2-CG 4.14Å; I181-M183 PolarHBondContact O-N 2.91Å; M183-S185 PolarHBondContact O-N 3.19Å; M183-L514 HydrophobicContact CE-CD2 3.75Å; M183-L514 HydrophobicContact SD-CD1 3.91Å; M183-L514 HydrophobicContact SD-CD2 3.66Å; M183-L514 HydrophobicContact SD-CG 3.89Å
184	R	32.5	Very low	36.1	Very low	184 Å²	184	140.2 Å²	140.2	69%	0.694	71%	0.708	S	S	*	*			trans	-66.8	104.2	165.5	-88	-175.8	162.8	-166.3	-5.2	109.1	I182 D482	I182-R184 PolarHBondContact O-N 3.18Å; I182-R184 VanDerWaalsContact O-N 3.16Å; R184-D482 IonicContact CZ-OD1 3.99Å; R184-D482 IonicContact NH2-OD1 3.81Å; R184-D482 PolarHBondContact NH2-OD1 3.33Å; R184-D482 IonicContact NH2-OD2 3.85Å
185	S	26.9	Very low	35.9	Very low	88 Å²	88	147.9 Å²	147.9	62%	0.615	73%	0.731	S	S	*	*			trans	-68.2	133.9	-178.5	57.5	0	0	0	0	111.9	M183 W187	M183-S185 PolarHBondContact O-N 3.19Å; S185-W187 PolarHBondContact O-N 3.03Å
186	P	32.6	Very low	35.4	Very low	106 Å²	106	147.1 Å²	147.1	69%	0.688	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-81	20.1	-170.9	32.8	-37.4	0	0	0	114.4	K188	P186-K188 VanDerWaalsContact C-N 3.34Å; P186-K188 PolarHBondContact O-N 3.27Å
187	W	28.3	Very low	34.6	Very low	223 Å²	223	147.2 Å²	147.2	85%	0.845	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-77.4	-9.7	-167.4	-81.1	26.7	0	0	0	115.2	S185 T189	S185-W187 PolarHBondContact O-N 3.03Å; W187-T189 PolarHBondContact O-N 3.3Å
188	K	33.3	Very low	34	Very low	210 Å²	210	150 Å²	150	91%	0.913	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-81.9	-3.2	-178.8	-82.4	-165.3	171.8	-174.4	0	116.1	P186	P186-K188 VanDerWaalsContact C-N 3.34Å; P186-K188 PolarHBondContact O-N 3.27Å
189	T	35.6	Very low	33.2	Very low	121 Å²	121	153.3 Å²	153.3	74%	0.742	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-111.7	31.3	-171.9	-30.7	0	0	0	0	114.4	W187	W187-T189 PolarHBondContact O-N 3.3Å
190	R	31.8	Very low	32.6	Very low	225 Å²	225	152.7 Å²	152.7	85%	0.849	75%	0.748	S	S	*	*	S	Bend	trans	-128.9	19.9	-178.9	-141.8	-178.3	-72.7	-121	4.7	116.3
191	H	30.8	Very low	31.9	Very low	191 Å²	191	155.6 Å²	155.6	88%	0.884	76%	0.758	S	S	*	*			trans	-126.5	53.4	173.9	-68.3	-57.6	0	0	0	113.6
192	S	33.3	Very low	31.2	Very low	99 Å²	99	162.3 Å²	162.3	69%	0.692	79%	0.786	S	S	*	*			trans	-137	93.3	167.2	42	0	0	0	0	109.9	P194	S192-P194 WeakPolarHBondContact O-CD 3.36Å
193	K	32.2	Very low	30.3	Very low	207 Å²	207	160.8 Å²	160.8	90%	0.9	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69	124.7	169.4	-80.7	-175.6	173.9	-178.9	0	109.1
194	P	32.1	Very low	29.9	Very low	121 Å²	121	163.9 Å²	163.9	79%	0.786	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.4	145.6	162.6	29.3	-32.9	0	0	0	109.7	S192	S192-P194 WeakPolarHBondContact O-CD 3.36Å
195	K	33	Very low	29.7	Very low	198 Å²	198	160.2 Å²	160.2	86%	0.861	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.5	144.2	166.1	-84.8	-177.3	172.5	-179.4	0	109.4
196	P	28.5	Very low	29.7	Very low	129 Å²	129	164.2 Å²	164.2	84%	0.838	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.8	132.8	167.1	30.2	-33	0	0	0	109.8
197	L	31	Very low	29.4	Very low	168 Å²	168	166.4 Å²	166.4	88%	0.88	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.4	128.2	164.1	-105.4	155.4	0	0	0	107.8
198	Q	29.4	Very low	29.3	Very low	193 Å²	193	163.9 Å²	163.9	90%	0.902	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.8	169.4	-71.7	175.3	-68	0	0	109.3
199	R	26.3	Very low	29.1	Very low	243 Å²	243	162.5 Å²	162.5	92%	0.917	79%	0.794	S	S	*	*			trans	-110.1	128.6	172.3	-165.8	179	-168.2	178.7	3.4	108
200	V	27.8	Very low	28.7	Very low	135 Å²	135	163.7 Å²	163.7	82%	0.818	80%	0.796	S	S	*	*			trans	-103.3	148.3	165.2	179	0	0	0	0	107.5
201	E	26.3	Very low	28.3	Very low	165 Å²	165	158.2 Å²	158.2	77%	0.771	79%	0.791	S	S	*	*			trans	-67.2	158.9	-178.2	-52.1	175.3	161.7	0	0	110.6
202	K	26.2	Very low	28.2	Very low	185 Å²	185	154.1 Å²	154.1	80%	0.804	78%	0.784	S	S	*	*				-165	175.1	51.9	-100.1	-173	179	-179.5	0	108.6
203	S	25.1	Very low	28.8	Very low	81 Å²	81	154.6 Å²	154.6	57%	0.566	78%	0.784	S	S	*	*			cis	-167.5	153.7	-8	38.5	0	0	0	0	108.9
204	E	25.8	Very low	28.5	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.794	78%	0.78	S	S	*	*			trans	66	153.4	156.8	-70.6	162	-134.7	0	0	118
205	N	26.8	Very low	28.6	Very low	106 Å²	106	153.9 Å²	153.9	57%	0.567	78%	0.782	S	S	*	*			cis	-152.9	139.8	-1.8	-133.2	-38.1	0	0	0	110.4
206	K	27.5	Very low	28.6	Very low	172 Å²	172	149.9 Å²	149.9	75%	0.748	78%	0.776	S	S	*	*			trans	53.4	148.7	152.2	-71.9	164.1	-170.9	-178.2	0	119.9
207	Q	26.5	Very low	28.4	Very low	152 Å²	152	148.8 Å²	148.8	71%	0.71	77%	0.772	S	S	*	*			cis	-135.1	148	-1.7	-107.1	152.3	-77.3	0	0	107.1
208	E	26.3	Very low	28.2	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	77%	0.767	S	S	*	*				48.7	127.3	91.3	-56.7	178.9	136	0	0	113.1
209	E	28.6	Very low	28.2	Very low	180 Å²	180	142.9 Å²	142.9	84%	0.841	75%	0.754	S	S	*	*			cis	-132.2	159.7	39.5	-55.7	-177.2	111.5	0	0	117.2
210	N	26.8	Very low	28.2	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	74%	0.743	S	S	*	*			trans	3.7	155	142.6	-72.7	-37.3	0	0	0	122.5
211	C	24.7	Very low	28.3	Very low	109 Å²	109	141.4 Å²	141.4	74%	0.736	75%	0.749	S	S	*	*			cis	-165.3	148.3	-25	-144.7	0	0	0	0	110.4
212	S	27.8	Very low	28.5	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	75%	0.754	S	S	*	*			trans	-124.1	176.2	160.5	-60.6	0	0	0	0	107.1
213	P	45.7	Very low	28.6	Very low	109 Å²	109	144.3 Å²	144.3	71%	0.708	76%	0.76	S	S	*	*			cis	-132.1	-158.9	-0.1	41.2	-22.7	0	0	0	111.9
214	L	25.9	Very low	29.4	Very low	155 Å²	155	145.4 Å²	145.4	81%	0.812	77%	0.765	S	S	*	*				-177.4	127.4	112.4	-95	166.1	0	0	0	112.7
215	L	35	Very low	29.8	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	76%	0.761	S	S	*	*			trans	-101.2	158.3	149.8	-73.9	168.1	0	0	0	106.8
216	P	33.1	Very low	29.8	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	77%	0.767	S	S	*	*				-154.8	154.9	105	38.6	-21.8	0	0	0	116.8
217	S	24.8	Very low	29.8	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	77%	0.771	S	S	*	*			trans	66.3	155	134.6	-167.3	0	0	0	0	120
218	L	26.3	Very low	29.8	Very low	148 Å²	148	138.2 Å²	138.2	78%	0.775	77%	0.771	S	S	*	*			cis	-162.2	173.1	-33.1	-106.3	170.5	0	0	0	106.5
219	S	28.3	Very low	29.9	Very low	90 Å²	90	135.6 Å²	135.6	63%	0.629	77%	0.771	S	S	*	*			trans	66.7	159.6	156.7	-71.3	0	0	0	0	117.7
220	D	26.4	Very low	29.8	Very low	129 Å²	129	131.6 Å²	131.6	69%	0.69	77%	0.769	S	S	*	*			cis	-157.4	151.9	-24.2	-106.1	-43.4	0	0	0	108.2
221	F	29.4	Very low	29.9	Very low	218 Å²	218	132 Å²	132	96%	0.956	77%	0.77	S	S	*	*			trans	-144.3	140.8	165.3	-93	-72.5	0	0	0	112.8
222	L	30.6	Very low	29.9	Very low	167 Å²	167	132.3 Å²	132.3	87%	0.874	77%	0.769	S	S	*	*			trans	-104	135.1	-165.8	-66.2	166.3	0	0	0	113.5
223	R	29.1	Very low	29.9	Very low	243 Å²	243	134.6 Å²	134.6	92%	0.917	78%	0.779	S	S	*	*			trans	25.1	166.9	139.8	-89.5	-158.2	142	179.3	-5.2	124.2
224	P	41.7	Very low	29.3	Very low	105 Å²	105	134.5 Å²	134.5	68%	0.682	78%	0.78	S	S	*	*			trans	-122	179.8	-159.1	46.1	-35.7	0	0	0	116.6
225	P	34.3	Very low	30.1	Very low	108 Å²	108	133.3 Å²	133.3	70%	0.701	78%	0.782	S	S	*	*			trans	-105.3	171.4	151.7	40.9	-32.6	0	0	0	111.5
226	S	26.8	Very low	29.9	Very low	101 Å²	101	135 Å²	135	71%	0.706	78%	0.783	S	S	*	*			cis	85.4	142.3	9.3	86.9	0	0	0	0	117.9
227	N	27.9	Very low	29.6	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	79%	0.792	S	S	*	*			cis	-157.5	127.8	-17.9	-121	14.1	0	0	0	114.6
228	A	26.2	Very low	29.8	Very low	85 Å²	85	141 Å²	141	70%	0.702	79%	0.786	S	S	*	*			trans	53.6	138.9	132	0	0	0	0	0	125.7
229	S	28.4	Very low	29.9	Very low	116 Å²	116	143.2 Å²	143.2	81%	0.811	79%	0.789	S	S	*	*			trans	83.3	105.2	139.5	-62.2	0	0	0	0	125.3
230	A	27	Very low	29.9	Very low	95 Å²	95	144.6 Å²	144.6	79%	0.785	80%	0.799	S	S	*	*				62.6	146.6	116.9	0	0	0	0	0	125.6
231	L	28.1	Very low	30	Very low	155 Å²	155	142.8 Å²	142.8	81%	0.812	80%	0.802	S	S	*	*			trans	150.1	109	141	-80.4	165.3	0	0	0	112.4
232	T	26.1	Very low	30.5	Very low	116 Å²	116	138.2 Å²	138.2	71%	0.712	79%	0.794	S	S	*	*				73.9	130	89.2	60.8	0	0	0	0	120.1
233	T	27.6	Very low	30.3	Very low	155 Å²	155	136 Å²	136	95%	0.951	79%	0.791	S	S	*	*			trans	-167.9	169.5	146	11.6	0	0	0	0	112.1
234	S	31.6	Very low	30.3	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	79%	0.788	S	S	*	*			trans	-141	179	-174	63.7	0	0	0	0	113.3
235	P	43.3	Very low	29.8	Very low	130 Å²	130	136.8 Å²	136.8	84%	0.844	79%	0.79	S	S	*	*				-147.7	-172.9	113	38.1	-20.7	0	0	0	116.2
236	K	31	Very low	29.6	Very low	195 Å²	195	139.2 Å²	139.2	85%	0.848	79%	0.792	S	S	*	*			trans	-114.1	159.8	-169.8	-60	173.9	176.1	176.1	0	115.2
237	R	26.7	Very low	29.9	Very low	247 Å²	247	142.5 Å²	142.5	93%	0.932	80%	0.796	S	S	*	*			trans	-161.2	178.5	134.9	-110.5	174.6	-174.3	-171.6	1.3	112
238	T	29.8	Very low	30	Very low	98 Å²	98	140.4 Å²	140.4	60%	0.601	79%	0.794	S	S	*	*			trans	-150.3	152.6	-145.3	-19.6	0	0	0	0	116.2
239	F	28.5	Very low	30.5	Very low	193 Å²	193	142.1 Å²	142.1	85%	0.846	80%	0.801	S	S	*	*			trans	67.2	156.7	168.8	-45.1	-66.6	0	0	0	116.1
240	S	28	Very low	30.9	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	80%	0.798	S	S	*	*			cis	-143.7	178.8	8	-63.9	0	0	0	0	111.7
241	A	28.9	Very low	31.9	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	80%	0.796	S	S	*	*			trans	-117.2	160	161.9	0	0	0	0	0	110
242	P	39.7	Very low	33	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	79%	0.793	S	S	*	*				-154.5	159.6	87.3	40.6	-21.5	0	0	0	118.8
243	C	26.1	Very low	34.3	Very low	119 Å²	119	146 Å²	146	80%	0.804	79%	0.794	S	S	*	*			trans	37.7	126.3	142.4	-60.7	0	0	0	0	125.8
244	R	29.6	Very low	35.5	Very low	227 Å²	227	146.2 Å²	146.2	86%	0.857	78%	0.784	S	S	*	*				97.2	142.8	124.5	-95.4	-172.6	175.2	-170	-2.3	123.1
245	L	30.5	Very low	36.3	Very low	139 Å²	139	148 Å²	148	73%	0.728	78%	0.779	S	S	*	*			trans	78.4	101.4	153.7	-70.7	164.2	0	0	0	121
246	E	29.8	Very low	37.1	Very low	158 Å²	158	144.8 Å²	144.8	74%	0.738	76%	0.764	S	S	*	*			trans	68.2	143.2	131.1	-58.2	-52.9	154.4	0	0	126.5
247	E	32.5	Very low	38.4	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	75%	0.749	S	S	*	*			trans	49.6	140.3	151.8	-72.7	-169.8	115.3	0	0	125.6
248	S	30.3	Very low	39.8	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	73%	0.729	S	S	*	*			trans	79.6	91.1	151.4	66.5	0	0	0	0	121.1
249	S	37.1	Very low	41.2	Very low	121 Å²	121	132.2 Å²	132.2	85%	0.846	73%	0.726	S	S	*	*				38.6	97.5	117.3	-177.2	0	0	0	0	120.3
250	D	36.4	Very low	42.5	Very low	141 Å²	141	129.6 Å²	129.6	75%	0.754	72%	0.716	S	S	*	*				-145.3	158.7	125.1	-151.7	-21.3	0	0	0	109.8
251	S	48.7	Very low	43.9	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	71%	0.712	S	S	*	*			trans	-158.4	27	-165.6	-172.8	0	0	0	0	116.8
252	E	49.8	Very low	44.9	Very low	159 Å²	159	134.8 Å²	134.8	74%	0.743	71%	0.706	S	S	*	*	S	Bend	trans	-102	-21.4	172.5	61.5	177.1	-164.9	0	0	116
253	E	54.9	Low	45.4	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.734	71%	0.707	S	S	*	*	H	α-helix	trans	-79.1	-31.3	-172.4	51.5	177.8	-151	0	0	116	F255 S257	E253-F255 VanDerWaalsContact C-N 3.29Å; E253-F255 PolarHBondContact O-N 2.78Å; E253-S257 PolarHBondContact O-N 3.02Å; E253-S257 PolarHBondContact O-OG 3.48Å
254	E	51.7	Low	46.6	Very low	159 Å²	159	140.8 Å²	140.8	74%	0.743	71%	0.706	S	S	*	*	H	α-helix	trans	-65.7	-32.1	174.5	-72.1	-154.2	124.5	0	0	112.6	S257 L258	E254-S257 PolarHBondContact O-N 3.07Å; E254-L258 PolarHBondContact O-N 2.97Å; E254-L258 VanDerWaalsContact O-N 3.1Å
255	F	47.9	Very low	47.4	Very low	142 Å²	142	138.5 Å²	138.5	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-72.3	-37	-175.2	-161.1	-99.3	0	0	0	112.2	E253 L258 L259	E253-F255 VanDerWaalsContact C-N 3.29Å; E253-F255 PolarHBondContact O-N 2.78Å; F255-L258 PolarHBondContact O-N 3.22Å; F255-L259 HydrophobicContact CD1-CD1 3.9Å; F255-L259 HydrophobicContact CE1-CD1 3.54Å; F255-L259 HydrophobicContact CZ-CD1 4.06Å; F255-L259 PolarHBondContact O-N 3.43Å; F255-L259 VanDerWaalsContact O-N 3.13Å
256	A	60.7	Low	47.9	Very low	64 Å²	64	138.8 Å²	138.8	53%	0.529	70%	0.704	S	S	.	*	H	α-helix	trans	-60.6	-46	171.9	0	0	0	0	0	111.3	L258 L259 E260	A256-L258 VanDerWaalsContact C-N 3.28Å; A256-L258 PolarHBondContact O-N 3.32Å; A256-L259 PolarHBondContact O-N 3.06Å; A256-E260 PolarHBondContact O-N 3.03Å; A256-E260 VanDerWaalsContact O-N 3.15Å
257	S	58.1	Low	48.2	Very low	78 Å²	78	138.5 Å²	138.5	55%	0.545	71%	0.708	S	S	.	*	H	α-helix	trans	-60.7	-34.1	177.8	-64.8	0	0	0	0	113	E253 E254 R261	E253-S257 PolarHBondContact O-N 3.02Å; E253-S257 PolarHBondContact O-OG 3.48Å; E254-S257 PolarHBondContact O-N 3.07Å; S257-R261 VanDerWaalsContact O-CB 3.29Å; S257-R261 WeakPolarHBondContact O-CB 3.34Å; S257-R261 PolarHBondContact O-N 2.75Å
258	L	55.9	Low	48.3	Very low	98 Å²	98	138.7 Å²	138.7	51%	0.513	71%	0.714	S	S	.	*	H	α-helix	trans	-71.4	-41	174.1	-84.1	167.7	0	0	0	113.1	E254 F255 A256 R261 L262	E254-L258 PolarHBondContact O-N 2.97Å; E254-L258 VanDerWaalsContact O-N 3.1Å; F255-L258 PolarHBondContact O-N 3.22Å; A256-L258 VanDerWaalsContact C-N 3.28Å; A256-L258 PolarHBondContact O-N 3.32Å; L258-R261 PolarHBondContact O-N 2.98Å; L258-L262 PolarHBondContact O-N 3.49Å
259	L	59.5	Low	48.2	Very low	100 Å²	100	139.9 Å²	139.9	52%	0.524	72%	0.717	S	S	.	*	H	α-helix	trans	-62.2	-44.6	177.8	-104.5	74.2	0	0	0	112	F255 A256 R261 L262 K263	F255-L259 HydrophobicContact CD1-CD1 3.9Å; F255-L259 HydrophobicContact CE1-CD1 3.54Å; F255-L259 HydrophobicContact CZ-CD1 4.06Å; F255-L259 PolarHBondContact O-N 3.43Å; F255-L259 VanDerWaalsContact O-N 3.13Å; A256-L259 PolarHBondContact O-N 3.06Å; L259-R261 PolarHBondContact O-N 3.25Å; L259-L262 PolarHBondContact O-N 3.14Å; L259-K263 WeakPolarHBondContact O-CB 3.47Å; L259-K263 PolarHBondContact O-N 2.7Å
260	E	56.1	Low	47.8	Very low	137 Å²	137	139.3 Å²	139.3	64%	0.64	71%	0.713	S	S	*	*	H	α-helix	trans	-64.6	-41.2	178.3	-166	-179	-174.4	0	0	111.6	A256 L262 K263 K264	A256-E260 PolarHBondContact O-N 3.03Å; A256-E260 VanDerWaalsContact O-N 3.15Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.31Å; E260-K263 PolarHBondContact O-N 3.03Å; E260-K264 PolarHBondContact O-N 2.87Å
261	R	57.4	Low	47.3	Very low	198 Å²	198	139.4 Å²	139.4	75%	0.747	72%	0.718	S	S	*	*	H	α-helix	trans	-64.9	-30.9	178.2	-164	176.8	-171.8	97.6	-4.7	113.2	S257 L258 L259	S257-R261 VanDerWaalsContact O-CB 3.29Å; S257-R261 WeakPolarHBondContact O-CB 3.34Å; S257-R261 PolarHBondContact O-N 2.75Å; L258-R261 PolarHBondContact O-N 2.98Å; L259-R261 PolarHBondContact O-N 3.25Å
262	L	49.8	Very low	46.3	Very low	122 Å²	122	139.3 Å²	139.3	64%	0.639	71%	0.713	S	S	*	*	H	α-helix	trans	-73.6	-45.4	170.9	-78.8	163.7	0	0	0	111.8	L258 L259 E260 K264 K265	L258-L262 PolarHBondContact O-N 3.49Å; L259-L262 PolarHBondContact O-N 3.14Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.31Å; L262-K264 PolarHBondContact O-N 2.9Å; L262-K265 PolarHBondContact O-N 2.82Å; L262-K265 VanDerWaalsContact O-N 3.09Å
263	K	51.5	Low	45.2	Very low	186 Å²	186	140.9 Å²	140.9	81%	0.809	72%	0.718	S	S	*	*	H	α-helix	trans	-60.7	-30.1	-179.4	-148.4	172.6	-172	179.3	0	112.6	L259 E260 K265	L259-K263 WeakPolarHBondContact O-CB 3.47Å; L259-K263 PolarHBondContact O-N 2.7Å; E260-K263 PolarHBondContact O-N 3.03Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 3.49Å
264	K	51.3	Low	43.8	Very low	182 Å²	182	138.7 Å²	138.7	79%	0.791	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-2.9	178.5	-155.6	163.7	-172.1	166	0	114.9	E260 L262	E260-K264 PolarHBondContact O-N 2.87Å; L262-K264 PolarHBondContact O-N 2.9Å
265	K	45	Very low	43.2	Very low	178 Å²	178	136 Å²	136	77%	0.774	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-10.5	-172.5	-144.2	177.3	-176.5	-175.6	0	115.7	L262 K263	L262-K265 PolarHBondContact O-N 2.82Å; L262-K265 VanDerWaalsContact O-N 3.09Å; K263-K265 VanDerWaalsContact C-N 3.34Å; K263-K265 PolarHBondContact O-N 3.49Å
266	N	42.4	Very low	42.1	Very low	145 Å²	145	138.1 Å²	138.1	78%	0.775	73%	0.725	S	S	*	*			trans	-106.6	83.1	178.3	-76.8	2.3	0	0	0	111.7
267	N	34.3	Very low	40.3	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	73%	0.734	S	S	*	*			trans	-130.1	102.2	161.9	-91.9	-30.7	0	0	0	108.4
268	L	34.9	Very low	38.7	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	74%	0.743	S	S	*	*			trans	-121	102.1	170.3	-145.1	92	0	0	0	108.1
269	T	29.6	Very low	37.4	Very low	137 Å²	137	145.3 Å²	145.3	84%	0.84	75%	0.754	S	S	*	*			trans	-92.1	110.3	179.5	41.8	0	0	0	0	111
270	S	27.2	Very low	35.8	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	76%	0.76	S	S	*	*			trans	-76.9	131.4	160.7	-60	0	0	0	0	110.1
271	T	25.8	Very low	34.4	Very low	143 Å²	143	145.1 Å²	145.1	88%	0.877	76%	0.76	S	S	*	*			trans	-168.7	158.7	146.2	-77.5	0	0	0	0	109.2
272	T	27.4	Very low	33	Very low	105 Å²	105	143.6 Å²	143.6	64%	0.644	76%	0.761	S	S	*	*			trans	-100.8	170.4	-158.7	-43.7	0	0	0	0	113.7
273	F	27.8	Very low	31.9	Very low	193 Å²	193	142.5 Å²	142.5	85%	0.846	76%	0.76	S	S	*	*			trans	102.3	130.3	155.7	-57.3	-70.5	0	0	0	119.9
274	S	25.7	Very low	30.6	Very low	110 Å²	110	142 Å²	142	77%	0.769	76%	0.758	S	S	*	*			trans	-89.4	175	156.9	-66	0	0	0	0	108.8
275	P	38.4	Very low	29.3	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	76%	0.756	S	S	*	*			cis	-154.5	-169.4	30.8	45.7	-24.2	0	0	0	118.5
276	K	25	Very low	28.3	Very low	186 Å²	186	137.9 Å²	137.9	81%	0.809	76%	0.756	S	S	*	*			trans	70.7	153.6	161	-67.2	179.8	-178.1	179	0	115.7
277	T	23.1	Very low	27.5	Very low	115 Å²	115	136.8 Å²	136.8	71%	0.706	76%	0.755	S	S	*	*			cis	-160	161	-4	7.1	0	0	0	0	110.3
278	S	25.3	Very low	27.1	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	76%	0.756	S	S	*	*			trans	63.7	152.9	154.4	52.6	0	0	0	0	118.6
279	K	27.4	Very low	26.7	Very low	171 Å²	171	131.4 Å²	131.4	74%	0.743	75%	0.749	S	S	*	*			cis	-154.9	169	-4.2	-125.4	177.7	179.7	-121.4	0	110.6
280	E	26	Very low	27.1	Very low	143 Å²	143	130.3 Å²	130.3	67%	0.668	74%	0.744	S	S	*	*			trans	6.2	150.9	136.8	-73	164.4	154.2	0	0	120
281	S	26.7	Very low	27	Very low	90 Å²	90	129.7 Å²	129.7	63%	0.629	75%	0.746	S	S	*	*			cis	-178.4	156.3	2.2	44.4	0	0	0	0	112.6
282	E	28.5	Very low	27.1	Very low	167 Å²	167	128.7 Å²	128.7	78%	0.78	74%	0.739	S	S	*	*			trans	63.6	163.2	146.3	-75.3	-168.8	137.4	0	0	119.6
283	T	26.1	Very low	27.4	Very low	99 Å²	99	133 Å²	133	61%	0.607	75%	0.749	S	S	*	*			cis	-146.8	166.6	-3.8	-3.6	0	0	0	0	112.6
284	K	25.1	Very low	28.3	Very low	175 Å²	175	128.8 Å²	128.8	76%	0.761	74%	0.741	S	S	*	*			trans	9.8	155.9	136.4	-68.1	167.1	-172.9	164.2	0	119.6
285	L	23.6	Very low	28.3	Very low	145 Å²	145	133 Å²	133	76%	0.759	75%	0.746	S	S	*	*			cis	-161.7	175.9	-0.8	-102.1	159	0	0	0	105.2
286	V	23.8	Very low	27.8	Very low	128 Å²	128	132.2 Å²	132.2	78%	0.776	75%	0.748	S	S	*	*				-174.2	148.7	61.1	170.8	0	0	0	0	109.7
287	V	25	Very low	28.1	Very low	122 Å²	122	129.9 Å²	129.9	74%	0.739	75%	0.749	S	S	*	*			trans	-26	142.5	161.2	177.3	0	0	0	0	119.1
288	S	27.5	Very low	28.9	Very low	122 Å²	122	130 Å²	130	85%	0.853	75%	0.752	S	S	*	*				-171.8	144.8	129.2	-81.6	0	0	0	0	115.1
289	A	24.8	Very low	29.1	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	76%	0.755	S	S	*	*			trans	-117.9	-173.2	166.9	0	0	0	0	0	108
290	P	38	Very low	29.5	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	75%	0.751	S	S	*	*			cis	-148.5	162.5	22.4	42.6	-21.3	0	0	0	120.6
291	A	26.5	Very low	29.9	Very low	97 Å²	97	129.6 Å²	129.6	80%	0.802	76%	0.761	S	S	*	*			trans	56.1	-168.6	142.6	0	0	0	0	0	119.6
292	V	28	Very low	30.1	Very low	121 Å²	121	129.7 Å²	129.7	73%	0.733	77%	0.768	S	S	*	*			cis	-147.7	106.4	6.9	-169.3	0	0	0	0	115.1
293	K	32.5	Very low	30.4	Very low	197 Å²	197	130.1 Å²	130.1	86%	0.857	77%	0.773	S	S	*	*			trans	57.4	-166.4	148	-49.8	-176.3	177.4	177.7	0	119.7
294	P	46.6	Very low	30.6	Very low	104 Å²	104	134 Å²	134	68%	0.675	78%	0.782	S	S	*	*				-141.3	-152.1	-100.3	48.1	-27.5	0	0	0	117.3
295	F	26.9	Very low	30.7	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.873	79%	0.788	S	S	*	*			trans	98.6	152.2	174.1	-74.5	-95.7	0	0	0	116.7
296	A	27	Very low	30.9	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	79%	0.789	S	S	*	*			cis	-168.4	164.6	-39.7	0	0	0	0	0	110.4
297	T	31.2	Very low	31.6	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	79%	0.788	S	S	*	*			trans	-115.7	164.6	173.7	59.1	0	0	0	0	111.6
298	P	39.5	Very low	31.9	Very low	118 Å²	118	138 Å²	138	77%	0.766	79%	0.79	S	S	*	*				-159.4	159.1	100.7	40	-20.6	0	0	0	119.2
299	S	30.3	Very low	31.9	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	78%	0.782	S	S	*	*			trans	41	167.1	133.5	-126.3	0	0	0	0	123.5
300	S	35.8	Very low	32.3	Very low	94 Å²	94	139.3 Å²	139.3	66%	0.657	78%	0.779	S	S	*	*			cis	-161	148.4	13.6	76.6	0	0	0	0	113.6
301	K	35	Very low	32	Very low	202 Å²	202	142.3 Å²	142.3	88%	0.878	78%	0.78	S	S	*	*				86.8	167.2	108.6	-75.1	-179.4	178.6	-178.2	0	119.2
302	A	30.9	Very low	32.1	Very low	93 Å²	93	142.9 Å²	142.9	77%	0.769	77%	0.774	S	S	*	*			trans	-158.5	172.8	-163.9	0	0	0	0	0	114.1
303	I	34.3	Very low	32.3	Very low	175 Å²	175	146.1 Å²	146.1	90%	0.897	78%	0.781	S	S	*	*			trans	-168.2	-177.1	162.8	-105.4	154	0	0	0	114.9
304	K	29.4	Very low	32.1	Very low	182 Å²	182	140.4 Å²	140.4	79%	0.791	78%	0.778	S	S	*	*			trans	-103.5	175.3	-157.9	-44.4	163.9	-179.2	170.1	0	117
305	E	27.6	Very low	31.6	Very low	188 Å²	188	145.9 Å²	145.9	88%	0.879	79%	0.791	S	S	*	*				170.5	178.7	109.9	-81.5	-144.9	143.3	0	0	116.4
306	K	27.5	Very low	31.9	Very low	180 Å²	180	141.8 Å²	141.8	78%	0.783	79%	0.787	S	S	*	*			trans	-167.3	149.7	-170.7	-168.8	-147.2	177.7	-174.3	0	113.5
307	P	39	Very low	32.2	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	79%	0.788	S	S	*	*				-146.9	-155.9	128.6	36.4	-16.6	0	0	0	117.6
308	Q	31.8	Very low	32.5	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	79%	0.788	S	S	*	*			trans	-95.7	-171	-159.5	-63.3	166.3	-114.6	0	0	115.5
309	D	28.2	Very low	32.3	Very low	127 Å²	127	145.4 Å²	145.4	68%	0.679	79%	0.789	S	S	*	*			cis	-159.9	-177.2	16.9	-166	39.3	0	0	0	115.4
310	V	31.3	Very low	32.5	Very low	114 Å²	114	149.8 Å²	149.8	69%	0.691	79%	0.793	S	S	*	*			trans	118.4	94.8	150	-171.4	0	0	0	0	119.9
311	K	33.3	Very low	32.4	Very low	178 Å²	178	151 Å²	151	77%	0.774	80%	0.799	S	S	*	*			trans	52.6	117.7	135.6	-67.3	-178.7	-179.4	174.1	0	125.6
312	T	28.1	Very low	32.2	Very low	109 Å²	109	151.3 Å²	151.3	67%	0.669	80%	0.8	S	S	*	*				52.8	134.2	124.5	-10.9	0	0	0	0	120.1
313	H	32	Very low	32.3	Very low	188 Å²	188	153 Å²	153	87%	0.87	80%	0.801	S	S	*	*			cis	-156.1	166.6	46.6	-94.7	-96.3	0	0	0	113.8
314	G	28.4	Very low	32.3	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	79%	0.794	S	S	*	*			trans	132.7	94.7	158.1	0	0	0	0	0	115.8
315	K	36.1	Very low	33	Very low	218 Å²	218	150.3 Å²	150.3	95%	0.948	80%	0.799	S	S	*	*			trans	-121.3	140.2	169	-76.5	-176.7	178.8	177	0	110.5
316	S	34.3	Very low	33.5	Very low	113 Å²	113	147.3 Å²	147.3	79%	0.79	79%	0.794	S	S	*	*			trans	-141	137.7	149.4	-173.9	0	0	0	0	108.8
317	S	33.3	Very low	33.9	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	80%	0.796	S	S	*	*			trans	-145.5	120.6	-178.8	176.5	0	0	0	0	107.7
318	I	35.5	Very low	34.1	Very low	160 Å²	160	146.4 Å²	146.4	82%	0.821	80%	0.798	S	S	*	*			trans	-128.4	141.6	177.3	-63.9	-176.5	0	0	0	108.6
319	L	35.3	Very low	34.3	Very low	152 Å²	152	149.8 Å²	149.8	80%	0.796	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-88.9	150.3	-156.9	-61.5	165.7	0	0	0	112.9
320	K	35.5	Very low	34.7	Very low	205 Å²	205	149.2 Å²	149.2	89%	0.891	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.2	125.1	166.9	-65.1	-179.9	179.5	180	0	109.3
321	P	34.2	Very low	35.1	Very low	119 Å²	119	148.3 Å²	148.3	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.1	130.3	175.5	28.7	-33.2	0	0	0	111.1
322	K	31.4	Very low	35.3	Very low	209 Å²	209	144.6 Å²	144.6	91%	0.909	81%	0.814	S	S	*	*			trans	-100.7	110.1	171.8	177.8	-175.7	177.7	-175.9	0	107.9
323	V	32.6	Very low	35.9	Very low	130 Å²	130	145.8 Å²	145.8	79%	0.788	82%	0.821	S	S	*	*			trans	-107.5	135.2	179.3	-178.4	0	0	0	0	110
324	S	34.5	Very low	36.5	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	81%	0.81	S	S	*	*			trans	-82.3	155.1	-177.3	42.9	0	0	0	0	113.2
325	Q	42.5	Very low	37.7	Very low	192 Å²	192	149 Å²	149	90%	0.897	82%	0.815	S	S	*	*			trans	-90.1	120.1	169.2	-62.9	177.8	5.3	0	0	110.5
326	T	39.4	Very low	38.8	Very low	125 Å²	125	143 Å²	143	77%	0.767	79%	0.792	S	S	*	*			trans	-166.7	104	146.6	39.1	0	0	0	0	108.2
327	D	36.1	Very low	40.2	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	78%	0.78	S	S	*	*			trans	177.9	151.5	132.8	-94.3	-20.2	0	0	0	112.1	R329	D327-R329 PolarHBondContact O-N 3.02Å; D327-R329 VanDerWaalsContact O-N 3.15Å
328	P	41.3	Very low	41.8	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	78%	0.779	S	S	*	*			trans	-81	97.8	-175.3	-6.6	25.8	0	0	0	111.1
329	R	36.1	Very low	43.9	Very low	238 Å²	238	134.3 Å²	134.3	90%	0.898	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.6	173.3	-166.6	176.6	-169.7	173.2	4.8	110.2	D327	D327-R329 PolarHBondContact O-N 3.02Å; D327-R329 VanDerWaalsContact O-N 3.15Å
330	P	38.3	Very low	46	Very low	115 Å²	115	136 Å²	136	75%	0.747	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-53.5	144.3	174.5	-27.9	35.5	0	0	0	112.2	A332	P330-A332 PolarHBondContact O-N 3.09Å
331	A	38.3	Very low	48.2	Very low	95 Å²	95	127 Å²	127	79%	0.785	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-54	124.5	-176.3	0	0	0	0	0	111.1	V333	A331-V333 PolarHBondContact O-N 3.12Å
332	A	38.6	Very low	50.2	Low	100 Å²	100	127.2 Å²	127.2	83%	0.826	71%	0.709	S	S	*	*			trans	-70.6	95.5	177.5	0	0	0	0	0	109.3	P330 S334	P330-A332 PolarHBondContact O-N 3.09Å; A332-S334 PolarHBondContact O-N 3.22Å
333	V	39.3	Very low	52.5	Low	133 Å²	133	120.4 Å²	120.4	81%	0.806	70%	0.698	S	S	*	*			trans	-52	117.1	168.7	-179.1	0	0	0	0	107.5	A331 R335	A331-V333 PolarHBondContact O-N 3.12Å; V333-R335 PolarHBondContact O-N 3.48Å
334	S	46.5	Very low	55	Low	92 Å²	92	115.5 Å²	115.5	64%	0.643	67%	0.669	S	S	*	*			trans	-61.8	110.4	-175.9	49.1	0	0	0	0	109.3	A332 I336	A332-S334 PolarHBondContact O-N 3.22Å; S334-I336 PolarHBondContact O-N 2.97Å
335	R	52.8	Low	57.6	Low	243 Å²	243	113 Å²	113	92%	0.917	65%	0.645	S	S	*	*			trans	-70.1	89.1	168.1	-62.7	-176.6	-170.4	174.4	2.1	107.4	V333 A337	V333-R335 PolarHBondContact O-N 3.48Å; R335-A337 PolarHBondContact O-N 2.99Å
336	I	59.4	Low	59.6	Low	92 Å²	92	103.8 Å²	103.8	47%	0.472	60%	0.602	S	S	.	*			trans	-53.7	126	176.4	-60	176.8	0	0	0	107.2	S334 V338 E347	S334-I336 PolarHBondContact O-N 2.97Å; I336-V338 VanDerWaalsContact C-N 3.29Å; I336-V338 PolarHBondContact O-N 3.18Å; I336-E347 VanDerWaalsContact CD1-OE1 3.32Å; I336-E347 WeakPolarHBondContact CD1-OE1 3.37Å
337	A	62.7	Low	61.7	Low	64 Å²	64	100.8 Å²	100.8	53%	0.529	58%	0.579	S	S	.	*			trans	-78.2	83	-173.8	0	0	0	0	0	109.3	R335 C339 P470	R335-A337 PolarHBondContact O-N 2.99Å; A337-C339 PolarHBondContact O-N 2.87Å; A337-P470 HydrophobicContact CB-CB 3.98Å; A337-P470 HydrophobicContact CB-CG 4.36Å
338	V	68.1	Low	63.8	Low	116 Å²	116	95.9 Å²	95.9	70%	0.703	56%	0.557	S	S	*	*			trans	-39.3	122.1	-177.6	-177.9	0	0	0	0	110.9	I336 K340	I336-V338 VanDerWaalsContact C-N 3.29Å; I336-V338 PolarHBondContact O-N 3.18Å; V338-K340 PolarHBondContact O-N 2.7Å
339	C	79.1	Confident	65.7	Low	15 Å²	15	90.2 Å²	90.2	10%	0.101	52%	0.52	C	S	.	.			trans	-56.3	123.9	-177.8	-176.3	0	0	0	0	111.1	A337 T341 C344 H469 E471	A337-C339 PolarHBondContact O-N 2.87Å; C339-T341 VanDerWaalsContact C-N 3.27Å; C339-T341 PolarHBondContact O-N 3.33Å; C339-C344 HydrophobicContact CB-CB 3.7Å; C339-C344 WeakPolarHBondContact CB-SG 3.41Å; C339-C344 WeakPolarHBondContact SG-CB 3.25Å; C339-C344 CovalentContact SG-SG 2.04Å; C339-C344 PolarHBondContact SG-SG 3.13Å; C339-H469 PolarHBondContact SG-ND1 3.23Å; C339-H469 VanDerWaalsContact SG-ND1 3.38Å; C339-E471 VanDerWaalsContact CB-CD 3.42Å; C339-E471 HydrophobicContact CB-CG 4.22Å; C339-E471 WeakPolarHBondContact CB-OE1 3.14Å; C339-E471 PolarHBondContact N-OE1 3.1Å
340	K	78.9	Confident	67.5	Low	186 Å²	186	81.2 Å²	81.2	81%	0.809	49%	0.491	S	S	*	.			trans	-83.4	-3.3	-179.5	-65	-178.6	-178.2	174.6	0	113.3	V338	V338-K340 PolarHBondContact O-N 2.7Å
341	T	82.3	Confident	68.9	Low	18 Å²	18	79.5 Å²	79.5	11%	0.11	48%	0.479	C	S	.	.	S	Bend	trans	-76.3	126.8	179.9	-61.7	0	0	0	0	109.6	C339 G343 C344 L374 M468	C339-T341 VanDerWaalsContact C-N 3.27Å; C339-T341 PolarHBondContact O-N 3.33Å; T341-G343 PolarHBondContact O-N 2.75Å; T341-C344 WeakPolarHBondContact O-CB 3.4Å; T341-C344 PolarHBondContact O-N 3.38Å; T341-L374 HydrophobicContact CG2-CD1 3.97Å; T341-M468 PolarHBondContact OG1-O 3.17Å; T341-M468 VanDerWaalsContact OG1-O 3.09Å
342	P	76.3	Confident	69.8	Low	122 Å²	122	81.2 Å²	81.2	79%	0.792	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	136.1	174.8	-25	35.1	0	0	0	111.7	C344	P342-C344 PolarHBondContact O-N 3.18Å
343	G	78.9	Confident	70.5	Confident	66 Å²	66	80.2 Å²	80.2	68%	0.68	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	15	-178.5	0	0	0	0	0	114.9	T341 F345	T341-G343 PolarHBondContact O-N 2.75Å; G343-F345 WeakPolarHBondContact O-CD1 3.3Å; G343-F345 PolarHBondContact O-N 3.33Å
344	C	85.6	Confident	71.4	Confident	28 Å²	28	75.3 Å²	75.3	19%	0.189	45%	0.453	C	S	.	.			trans	-68.5	117.4	175.3	-163.3	0	0	0	0	110.8	C339 T341 P342 H469	C339-C344 HydrophobicContact CB-CB 3.7Å; C339-C344 WeakPolarHBondContact CB-SG 3.41Å; C339-C344 WeakPolarHBondContact SG-CB 3.25Å; C339-C344 CovalentContact SG-SG 2.04Å; C339-C344 PolarHBondContact SG-SG 3.13Å; T341-C344 WeakPolarHBondContact O-CB 3.4Å; T341-C344 PolarHBondContact O-N 3.38Å; P342-C344 PolarHBondContact O-N 3.18Å; C344-H469 PolarHBondContact SG-ND1 2.83Å
345	F	88.4	Confident	72	Confident	53 Å²	53	77.1 Å²	77.1	23%	0.232	45%	0.454	C	S	.	.			trans	-116.5	15	180	60.7	-93.3	0	0	0	112.7	G343 E347 S348 L349 L367 K370 L371 L374	G343-F345 WeakPolarHBondContact O-CD1 3.3Å; G343-F345 PolarHBondContact O-N 3.33Å; F345-E347 PolarHBondContact O-N 3.37Å; F345-S348 WeakPolarHBondContact O-CB 3.49Å; F345-S348 PolarHBondContact O-N 3.33Å; F345-S348 VanDerWaalsContact O-N 3.08Å; F345-S348 PolarHBondContact O-OG 3.1Å; F345-L349 HydrophobicContact CD2-CD1 4.21Å; F345-L349 HydrophobicContact CD2-CD2 4.37Å; F345-L349 HydrophobicContact CD2-CG 4.34Å; F345-L349 HydrophobicContact CE2-CD1 4Å; F345-L367 HydrophobicContact CE2-CD1 3.72Å; F345-L367 HydrophobicContact CZ-CD1 4.39Å; F345-K370 HydrophobicContact CE1-CB 4.17Å; F345-K370 HydrophobicContact CZ-CB 3.81Å; F345-L371 HydrophobicContact CE2-CD2 3.84Å; F345-L371 HydrophobicContact CE2-CG 4.14Å; F345-L371 HydrophobicContact CZ-CD2 3.85Å; F345-L371 HydrophobicContact CZ-CG 4.01Å; F345-L374 HydrophobicContact CD1-CD2 4.18Å; F345-L374 HydrophobicContact CE1-CD2 3.89Å; F345-L374 HydrophobicContact CZ-CD2 4.42Å
346	L	85.8	Confident	72.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-69.2	-32.5	-165.7	-58.4	-179.7	0	0	0	113	S348 L349 T350 L371 L374 Y375 R432 H469 E471 L472	L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 3.37Å; L346-L349 HydrophobicContact CD2-CD1 4.46Å; L346-L349 WeakPolarHBondContact O-CB 3.49Å; L346-L349 PolarHBondContact O-N 3.48Å; L346-T350 PolarHBondContact O-N 2.92Å; L346-L371 HydrophobicContact CD2-CD2 3.43Å; L346-L371 VanDerWaalsContact CD2-CD2 3.43Å; L346-L374 HydrophobicContact CD1-CD2 4.38Å; L346-L374 HydrophobicContact CD2-CD2 3.75Å; L346-L374 HydrophobicContact CG-CD2 3.98Å; L346-Y375 HydrophobicContact CD1-CE1 4.06Å; L346-Y375 HydrophobicContact CD2-CE1 4.21Å; L346-R432 HydrophobicContact CD2-CG 4.02Å; L346-H469 HydrophobicContact CD1-CB 3.68Å; L346-H469 VanDerWaalsContact CD1-ND1 3.29Å; L346-H469 WeakPolarHBondContact CD1-ND1 3.31Å; L346-E471 HydrophobicContact CB-CB 4.1Å; L346-E471 WeakPolarHBondContact CB-OE2 3.43Å; L346-L472 HydrophobicContact CD1-CD2 4.03Å; L346-L472 HydrophobicContact CD1-CG 4.08Å
347	E	82.4	Confident	72.4	Confident	62 Å²	62	67.6 Å²	67.6	29%	0.29	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-60.9	-32.7	171.5	-170.7	67.3	168.4	0	0	112.9	I336 F345 L349 T350 E471	I336-E347 VanDerWaalsContact CD1-OE1 3.32Å; I336-E347 WeakPolarHBondContact CD1-OE1 3.37Å; F345-E347 PolarHBondContact O-N 3.37Å; E347-L349 PolarHBondContact O-N 3.22Å; E347-T350 PolarHBondContact O-N 3.06Å; E347-T350 VanDerWaalsContact O-N 3.1Å; E347-T350 PolarHBondContact O-OG1 3.02Å; E347-T350 WeakPolarHBondContact OE2-CG2 3.35Å; E347-T350 PolarHBondContact OE2-OG1 3.15Å; E347-T350 VanDerWaalsContact OE2-OG1 3.1Å; E347-E471 HydrophobicContact CB-CG 4.19Å; E347-E471 WeakPolarHBondContact CB-OE2 3.39Å; E347-E471 PolarHBondContact N-OE2 2.98Å
348	S	81	Confident	72.3	Confident	52 Å²	52	69.2 Å²	69.2	36%	0.364	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-65	-12.1	175.1	76.9	0	0	0	0	113.5	F345 L346 S354	F345-S348 WeakPolarHBondContact O-CB 3.49Å; F345-S348 PolarHBondContact O-N 3.33Å; F345-S348 VanDerWaalsContact O-N 3.08Å; F345-S348 PolarHBondContact O-OG 3.1Å; L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 3.37Å; S348-S354 WeakPolarHBondContact O-CB 3.42Å; S348-S354 PolarHBondContact O-OG 3.2Å
349	L	81.8	Confident	72.6	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-102.7	-13.9	178.3	-43	-178.1	0	0	0	113	F345 L346 E347 Y356 L367 L371 A428 R432	F345-L349 HydrophobicContact CD2-CD1 4.21Å; F345-L349 HydrophobicContact CD2-CD2 4.37Å; F345-L349 HydrophobicContact CD2-CG 4.34Å; F345-L349 HydrophobicContact CE2-CD1 4Å; L346-L349 HydrophobicContact CD2-CD1 4.46Å; L346-L349 WeakPolarHBondContact O-CB 3.49Å; L346-L349 PolarHBondContact O-N 3.48Å; E347-L349 PolarHBondContact O-N 3.22Å; L349-Y356 HydrophobicContact CD2-CD2 3.67Å; L349-Y356 HydrophobicContact CD2-CE2 3.66Å; L349-Y356 HydrophobicContact CD2-CG 4.42Å; L349-L367 HydrophobicContact CD1-CD1 4.27Å; L349-L367 HydrophobicContact CD2-CD1 4.15Å; L349-L371 HydrophobicContact CD1-CD1 4.3Å; L349-L371 HydrophobicContact CD1-CD2 3.92Å; L349-A428 HydrophobicContact CB-CB 4.37Å; L349-A428 HydrophobicContact CD2-CB 4.21Å; L349-R432 HydrophobicContact CD1-CB 4.05Å; L349-R432 HydrophobicContact CD1-CG 4.21Å
350	T	73.6	Confident	72.8	Confident	48 Å²	48	66.5 Å²	66.5	29%	0.294	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-36.4	176.7	58	0	0	0	0	112.1	L346 E347 P352	L346-T350 PolarHBondContact O-N 2.92Å; E347-T350 PolarHBondContact O-N 3.06Å; E347-T350 VanDerWaalsContact O-N 3.1Å; E347-T350 PolarHBondContact O-OG1 3.02Å; E347-T350 WeakPolarHBondContact OE2-CG2 3.35Å; E347-T350 PolarHBondContact OE2-OG1 3.15Å; E347-T350 VanDerWaalsContact OE2-OG1 3.1Å; T350-P352 VanDerWaalsContact O-CD 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.43Å
351	V	67.1	Low	72.9	Confident	80 Å²	80	67.5 Å²	67.5	49%	0.485	42%	0.421	S	S	.	.	S	Bend	trans	-71.4	116.4	-166.4	-176.5	0	0	0	0	111.9	G353 S354	V351-G353 PolarHBondContact O-N 2.69Å; V351-S354 VanDerWaalsContact O-CB 3.26Å; V351-S354 WeakPolarHBondContact O-CB 3.27Å; V351-S354 PolarHBondContact O-N 2.79Å
352	P	56.9	Low	73.1	Confident	130 Å²	130	75 Å²	75	84%	0.844	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	119.4	173.7	-19.6	33.6	0	0	0	110.1	T350	T350-P352 VanDerWaalsContact O-CD 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.43Å
353	G	53.1	Low	73.6	Confident	80 Å²	80	71.6 Å²	71.6	83%	0.825	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.7	0.4	-171.4	0	0	0	0	0	114.7	V351	V351-G353 PolarHBondContact O-N 2.69Å
354	S	58.7	Low	74.2	Confident	30 Å²	30	69.3 Å²	69.3	21%	0.21	40%	0.399	C	S	.	.			trans	-48.3	149.7	166.8	177.9	0	0	0	0	112.2	S348 V351 Y356 G357	S348-S354 WeakPolarHBondContact O-CB 3.42Å; S348-S354 PolarHBondContact O-OG 3.2Å; V351-S354 VanDerWaalsContact O-CB 3.26Å; V351-S354 WeakPolarHBondContact O-CB 3.27Å; V351-S354 PolarHBondContact O-N 2.79Å; S354-Y356 PolarHBondContact O-N 3.11Å; S354-G357 PolarHBondContact O-N 3Å
355	I	58.7	Low	74.6	Confident	130 Å²	130	72.4 Å²	72.4	67%	0.667	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.2	-178.8	-66.1	170.8	0	0	0	111.9	G357 I359	I355-G357 PolarHBondContact O-N 2.93Å; I355-I359 HydrophobicContact CG2-CD1 3.71Å; I355-I359 HydrophobicContact CG2-CG1 4.38Å; I355-I359 PolarHBondContact O-N 3.32Å
356	Y	60.6	Low	74.8	Confident	61 Å²	61	73.8 Å²	73.8	24%	0.239	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-19.8	175.7	-64.2	-76.1	0	0	0	113.8	L349 S354 S358 I359 F360 L367 A428	L349-Y356 HydrophobicContact CD2-CD2 3.67Å; L349-Y356 HydrophobicContact CD2-CE2 3.66Å; L349-Y356 HydrophobicContact CD2-CG 4.42Å; S354-Y356 PolarHBondContact O-N 3.11Å; Y356-S358 VanDerWaalsContact C-N 3.26Å; Y356-S358 PolarHBondContact O-N 3.07Å; Y356-S358 VanDerWaalsContact O-N 3.15Å; Y356-I359 PolarHBondContact O-N 3.31Å; Y356-F360 WeakPolarHBondContact O-CA 3.29Å; Y356-F360 WeakPolarHBondContact O-CB 3.27Å; Y356-F360 PolarHBondContact O-N 3.14Å; Y356-L367 HydrophobicContact CD1-CD2 4.1Å; Y356-L367 HydrophobicContact CE1-CD1 4.36Å; Y356-L367 HydrophobicContact CE1-CD2 4.35Å; Y356-A428 HydrophobicContact CG-CB 4.4Å
357	G	59.9	Low	75.1	Confident	73 Å²	73	73.9 Å²	73.9	75%	0.753	42%	0.418	S	S	*	.	H	α-helix	trans	-55.8	-35.5	-179.1	0	0	0	0	0	114.6	S354 I355	S354-G357 PolarHBondContact O-N 3Å; I355-G357 PolarHBondContact O-N 2.93Å
358	S	60.6	Low	75.7	Confident	99 Å²	99	71.2 Å²	71.2	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-101.5	-30.1	173.8	58.7	0	0	0	0	113.1	Y356	Y356-S358 VanDerWaalsContact C-N 3.26Å; Y356-S358 PolarHBondContact O-N 3.07Å; Y356-S358 VanDerWaalsContact O-N 3.15Å
359	I	74.7	Confident	76.4	Confident	65 Å²	65	71.8 Å²	71.8	33%	0.333	41%	0.41	S	S	.	.	H	α-helix	trans	-88.5	-21.7	-173.5	-60.4	-169.1	0	0	0	113.1	I355 Y356 R361 K362 N363	I355-I359 HydrophobicContact CG2-CD1 3.71Å; I355-I359 HydrophobicContact CG2-CG1 4.38Å; I355-I359 PolarHBondContact O-N 3.32Å; Y356-I359 PolarHBondContact O-N 3.31Å; I359-R361 PolarHBondContact O-N 3.2Å; I359-R361 VanDerWaalsContact O-N 3.08Å; I359-K362 WeakPolarHBondContact O-CA 3.39Å; I359-K362 WeakPolarHBondContact O-CB 3.39Å; I359-K362 PolarHBondContact O-N 3.25Å; I359-N363 HydrophobicContact CG2-CB 4.2Å; I359-N363 WeakPolarHBondContact CG2-OD1 3.34Å; I359-N363 PolarHBondContact O-N 3.09Å; I359-N363 VanDerWaalsContact O-N 3.1Å
360	F	83.6	Confident	77	Confident	8 Å²	8	76 Å²	76	4%	0.035	43%	0.428	C	S	.	.	H	α-helix	trans	-50.7	-39.7	-178.8	174.5	-97.1	0	0	0	113.1	Y356 K362 N363 K364 L367 W392 C425 D426 S427 A428 L431	Y356-F360 WeakPolarHBondContact O-CA 3.29Å; Y356-F360 WeakPolarHBondContact O-CB 3.27Å; Y356-F360 PolarHBondContact O-N 3.14Å; F360-K362 PolarHBondContact O-N 2.56Å; F360-K362 VanDerWaalsContact O-N 3.11Å; F360-N363 PolarHBondContact O-N 2.94Å; F360-K364 HydrophobicContact CD1-CB 4.27Å; F360-K364 HydrophobicContact CD2-CB 3.99Å; F360-K364 HydrophobicContact CE1-CB 4.07Å; F360-K364 HydrophobicContact CE2-CB 3.8Å; F360-K364 HydrophobicContact CG-CB 4.23Å; F360-K364 HydrophobicContact CZ-CB 3.84Å; F360-K364 WeakPolarHBondContact O-CA 3.49Å; F360-K364 WeakPolarHBondContact O-CB 3.37Å; F360-K364 PolarHBondContact O-N 3.27Å; F360-L367 HydrophobicContact CD2-CD2 3.91Å; F360-L367 HydrophobicContact CE2-CD2 4.16Å; F360-W392 AromaticContact CZ-CH2 3.91Å; F360-W392 HydrophobicContact CZ-CH2 3.91Å; F360-C425 WeakPolarHBondContact CE1-O 3.37Å; F360-C425 WeakPolarHBondContact CZ-O 3.37Å; F360-D426 VanDerWaalsContact CE1-C 3.47Å; F360-S427 WeakPolarHBondContact CZ-O 3.38Å; F360-A428 HydrophobicContact CD2-CB 4.06Å; F360-A428 HydrophobicContact CE2-CB 4.43Å; F360-L431 HydrophobicContact CE2-CB 3.75Å; F360-L431 HydrophobicContact CE2-CD2 3.67Å; F360-L431 HydrophobicContact CE2-CG 4.36Å; F360-L431 HydrophobicContact CZ-CB 4.03Å; F360-L431 HydrophobicContact CZ-CD2 4.3Å
361	R	82.1	Confident	78	Confident	207 Å²	207	73.8 Å²	73.8	78%	0.781	41%	0.414	S	S	*	.	H	α-helix	trans	-65	-15.5	178.3	-70.7	-171.8	177.4	-174.1	2	115	I359	I359-R361 PolarHBondContact O-N 3.2Å; I359-R361 VanDerWaalsContact O-N 3.08Å
362	K	85	Confident	79.4	Confident	176 Å²	176	70.5 Å²	70.5	77%	0.765	39%	0.393	S	S	*	.	H	α-helix	trans	-100.1	-32.3	174.2	-62	-176.6	177.8	-174.8	0	112.5	I359 F360	I359-K362 WeakPolarHBondContact O-CA 3.39Å; I359-K362 WeakPolarHBondContact O-CB 3.39Å; I359-K362 PolarHBondContact O-N 3.25Å; F360-K362 PolarHBondContact O-N 2.56Å; F360-K362 VanDerWaalsContact O-N 3.11Å
363	N	88.1	Confident	81.2	Confident	50 Å²	50	69.6 Å²	69.6	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-115.3	8	-170.8	-64.5	63.9	0	0	0	114.1	I359 F360 E365 E366 L367	I359-N363 HydrophobicContact CG2-CB 4.2Å; I359-N363 WeakPolarHBondContact CG2-OD1 3.34Å; I359-N363 PolarHBondContact O-N 3.09Å; I359-N363 VanDerWaalsContact O-N 3.1Å; F360-N363 PolarHBondContact O-N 2.94Å; N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 3.01Å; N363-E366 PolarHBondContact ND2-OE2 3.29Å; N363-E366 WeakPolarHBondContact O-CB 3.5Å; N363-E366 PolarHBondContact O-N 3.3Å; N363-L367 WeakPolarHBondContact O-CB 3.27Å; N363-L367 PolarHBondContact O-N 2.93Å
364	K	91.1	Very high	83.1	Confident	18 Å²	18	66.5 Å²	66.5	8%	0.078	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-35.6	-178.9	64	179.2	-167.2	-178.2	0	111.9	F360 L367 T368 W392 D422	F360-K364 HydrophobicContact CD1-CB 4.27Å; F360-K364 HydrophobicContact CD2-CB 3.99Å; F360-K364 HydrophobicContact CE1-CB 4.07Å; F360-K364 HydrophobicContact CE2-CB 3.8Å; F360-K364 HydrophobicContact CG-CB 4.23Å; F360-K364 HydrophobicContact CZ-CB 3.84Å; F360-K364 WeakPolarHBondContact O-CA 3.49Å; F360-K364 WeakPolarHBondContact O-CB 3.37Å; F360-K364 PolarHBondContact O-N 3.27Å; K364-L367 PolarHBondContact O-N 3.49Å; K364-T368 VanDerWaalsContact O-CB 3.29Å; K364-T368 WeakPolarHBondContact O-CB 3.42Å; K364-T368 PolarHBondContact O-N 3.31Å; K364-T368 PolarHBondContact O-OG1 2.6Å; K364-W392 HydrophobicContact CB-CH2 4.31Å; K364-W392 HydrophobicContact CB-CZ2 3.83Å; K364-W392 HydrophobicContact CD-CD2 3.85Å; K364-W392 HydrophobicContact CD-CE3 4Å; K364-W392 HydrophobicContact CD-CG 4.45Å; K364-W392 HydrophobicContact CD-CH2 4.09Å; K364-W392 HydrophobicContact CD-CZ2 3.95Å; K364-W392 HydrophobicContact CD-CZ3 4.11Å; K364-W392 HydrophobicContact CG-CD2 4.48Å; K364-W392 HydrophobicContact CG-CZ2 4.02Å; K364-D422 IonicContact NZ-OD1 2.65Å; K364-D422 PolarHBondContact NZ-OD1 3.4Å; K364-D422 IonicContact NZ-OD2 2.75Å; K364-D422 PolarHBondContact NZ-OD2 2.93Å
365	E	93.4	Very high	84.9	Confident	93 Å²	93	65.1 Å²	65.1	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-43.6	177.4	-73	80	-179.8	0	0	111.6	N363 T368 S369	N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 3.01Å; E365-T368 PolarHBondContact O-N 2.81Å; E365-S369 PolarHBondContact O-N 3.49Å; E365-S369 PolarHBondContact O-OG 3.38Å
366	E	93.3	Very high	86.7	Confident	83 Å²	83	59 Å²	59	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-47.3	173.7	-171.3	-152.5	153.9	0	0	111	N363 T368 S369 K370	N363-E366 PolarHBondContact ND2-OE2 3.29Å; N363-E366 WeakPolarHBondContact O-CB 3.5Å; N363-E366 PolarHBondContact O-N 3.3Å; E366-T368 PolarHBondContact O-N 2.1Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 3.5Å; E366-S369 VanDerWaalsContact O-N 3.16Å; E366-K370 HydrophobicContact CG-CD 4.44Å; E366-K370 PolarHBondContact O-N 2.91Å; E366-K370 WeakPolarHBondContact OE1-CE 3.4Å; E366-K370 IonicContact OE1-NZ 2.79Å; E366-K370 PolarHBondContact OE1-NZ 3.38Å
367	L	92.4	Very high	88.3	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-38.6	177.9	-177.7	61.4	0	0	0	111.9	F345 L349 Y356 F360 N363 K364 S369 K370 L371 A428 L431	F345-L367 HydrophobicContact CE2-CD1 3.72Å; F345-L367 HydrophobicContact CZ-CD1 4.39Å; L349-L367 HydrophobicContact CD1-CD1 4.27Å; L349-L367 HydrophobicContact CD2-CD1 4.15Å; Y356-L367 HydrophobicContact CD1-CD2 4.1Å; Y356-L367 HydrophobicContact CE1-CD1 4.36Å; Y356-L367 HydrophobicContact CE1-CD2 4.35Å; F360-L367 HydrophobicContact CD2-CD2 3.91Å; F360-L367 HydrophobicContact CE2-CD2 4.16Å; N363-L367 WeakPolarHBondContact O-CB 3.27Å; N363-L367 PolarHBondContact O-N 2.93Å; K364-L367 PolarHBondContact O-N 3.49Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.93Å; L367-K370 PolarHBondContact O-N 2.95Å; L367-L371 HydrophobicContact CD1-CD1 4.17Å; L367-L371 HydrophobicContact CD1-CG 4.26Å; L367-L371 HydrophobicContact CG-CD1 3.95Å; L367-L371 HydrophobicContact CG-CG 4.49Å; L367-L371 VanDerWaalsContact O-CB 3.31Å; L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 VanDerWaalsContact O-CG 3.25Å; L367-L371 WeakPolarHBondContact O-CG 3.45Å; L367-L371 PolarHBondContact O-N 3.19Å; L367-A428 HydrophobicContact CD2-CB 3.89Å; L367-L431 HydrophobicContact CB-CD2 4.17Å; L367-L431 HydrophobicContact CD2-CD2 3.96Å; L367-L431 HydrophobicContact CG-CD2 3.89Å
368	T	95.2	Very high	89.9	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-46.2	172.7	-56.5	0	0	0	0	109.9	K364 E365 E366 L371 Y372 V390 W392 L420 L435	K364-T368 VanDerWaalsContact O-CB 3.29Å; K364-T368 WeakPolarHBondContact O-CB 3.42Å; K364-T368 PolarHBondContact O-N 3.31Å; K364-T368 PolarHBondContact O-OG1 2.6Å; E365-T368 PolarHBondContact O-N 2.81Å; E366-T368 PolarHBondContact O-N 2.1Å; T368-L371 PolarHBondContact O-N 3.25Å; T368-Y372 VanDerWaalsContact O-CB 3.25Å; T368-Y372 WeakPolarHBondContact O-CB 3.31Å; T368-Y372 PolarHBondContact O-N 2.77Å; T368-V390 HydrophobicContact CG2-CB 4.18Å; T368-V390 HydrophobicContact CG2-CG1 3.53Å; T368-W392 WeakPolarHBondContact OG1-CZ2 3.32Å; T368-W392 PolarHBondContact OG1-NE1 2.98Å; T368-L420 HydrophobicContact CG2-CD1 4.1Å; T368-L435 HydrophobicContact CG2-CD2 4.17Å
369	S	94.4	Very high	91.5	Very high	64 Å²	64	52.4 Å²	52.4	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-45.4	-179.3	-54.4	0	0	0	0	111.7	E365 E366 L367 Y372 Q373	E365-S369 PolarHBondContact O-N 3.49Å; E365-S369 PolarHBondContact O-OG 3.38Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 3.5Å; E366-S369 VanDerWaalsContact O-N 3.16Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.93Å; S369-Y372 PolarHBondContact O-N 2.98Å; S369-Q373 WeakPolarHBondContact O-CG 3.44Å; S369-Q373 PolarHBondContact O-N 3.35Å
370	K	94	Very high	92.5	Very high	94 Å²	94	49.3 Å²	49.3	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-44.3	176.8	-74.3	175.6	168.9	175.4	0	112.3	F345 E366 L367 L374	F345-K370 HydrophobicContact CE1-CB 4.17Å; F345-K370 HydrophobicContact CZ-CB 3.81Å; E366-K370 HydrophobicContact CG-CD 4.44Å; E366-K370 PolarHBondContact O-N 2.91Å; E366-K370 WeakPolarHBondContact OE1-CE 3.4Å; E366-K370 IonicContact OE1-NZ 2.79Å; E366-K370 PolarHBondContact OE1-NZ 3.38Å; L367-K370 PolarHBondContact O-N 2.95Å; K370-L374 WeakPolarHBondContact O-CB 3.43Å; K370-L374 PolarHBondContact O-N 2.92Å
371	L	94.9	Very high	93	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.5	-74.4	167.5	0	0	0	111.8	F345 L346 L349 L367 T368 Q373 L374 Y375 L431 R432 L435	F345-L371 HydrophobicContact CE2-CD2 3.84Å; F345-L371 HydrophobicContact CE2-CG 4.14Å; F345-L371 HydrophobicContact CZ-CD2 3.85Å; F345-L371 HydrophobicContact CZ-CG 4.01Å; L346-L371 HydrophobicContact CD2-CD2 3.43Å; L346-L371 VanDerWaalsContact CD2-CD2 3.43Å; L349-L371 HydrophobicContact CD1-CD1 4.3Å; L349-L371 HydrophobicContact CD1-CD2 3.92Å; L367-L371 HydrophobicContact CD1-CD1 4.17Å; L367-L371 HydrophobicContact CD1-CG 4.26Å; L367-L371 HydrophobicContact CG-CD1 3.95Å; L367-L371 HydrophobicContact CG-CG 4.49Å; L367-L371 VanDerWaalsContact O-CB 3.31Å; L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 VanDerWaalsContact O-CG 3.25Å; L367-L371 WeakPolarHBondContact O-CG 3.45Å; L367-L371 PolarHBondContact O-N 3.19Å; T368-L371 PolarHBondContact O-N 3.25Å; L371-Q373 PolarHBondContact O-N 3.4Å; L371-L374 PolarHBondContact O-N 2.81Å; L371-Y375 HydrophobicContact CB-CD2 4.43Å; L371-Y375 HydrophobicContact CB-CE2 4.12Å; L371-Y375 HydrophobicContact CD2-CE2 4.3Å; L371-Y375 WeakPolarHBondContact O-CB 3.46Å; L371-Y375 WeakPolarHBondContact O-CD2 3.29Å; L371-Y375 VanDerWaalsContact O-CG 3.25Å; L371-Y375 PolarHBondContact O-N 3.4Å; L371-L431 HydrophobicContact CD1-CD2 4.08Å; L371-L431 HydrophobicContact CD1-CG 3.87Å; L371-R432 HydrophobicContact CD1-CB 4.33Å; L371-R432 HydrophobicContact CD2-CG 4.32Å; L371-L435 HydrophobicContact CB-CD2 3.73Å
372	Y	96.2	Very high	93.5	Very high	11 Å²	11	47.3 Å²	47.3	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-48	177.3	-177.5	-99.8	0	0	0	111.9	T368 S369 Y375 N376 L384 P385 M388 V390 M439	T368-Y372 VanDerWaalsContact O-CB 3.25Å; T368-Y372 WeakPolarHBondContact O-CB 3.31Å; T368-Y372 PolarHBondContact O-N 2.77Å; S369-Y372 PolarHBondContact O-N 2.98Å; Y372-Y375 PolarHBondContact O-N 3.3Å; Y372-N376 WeakPolarHBondContact O-CB 3.26Å; Y372-N376 PolarHBondContact O-N 2.77Å; Y372-L384 WeakPolarHBondContact OH-CB 3.45Å; Y372-P385 WeakPolarHBondContact CE1-O 3.39Å; Y372-P385 PolarHBondContact OH-O 3.5Å; Y372-M388 HydrophobicContact CE2-CB 4.44Å; Y372-M388 HydrophobicContact CE2-CE 3.62Å; Y372-M388 VanDerWaalsContact OH-CB 3.3Å; Y372-M388 WeakPolarHBondContact OH-CB 3.47Å; Y372-V390 HydrophobicContact CD2-CG2 4.16Å; Y372-M439 HydrophobicContact CD2-CE 3.5Å; Y372-M439 VanDerWaalsContact CD2-CE 3.5Å; Y372-M439 HydrophobicContact CD2-CG 4.19Å; Y372-M439 HydrophobicContact CD2-SD 3.49Å; Y372-M439 WeakPolarHBondContact CD2-SD 3.45Å; Y372-M439 HydrophobicContact CE2-CE 3.43Å; Y372-M439 VanDerWaalsContact CE2-CE 3.43Å; Y372-M439 HydrophobicContact CE2-CG 4.17Å; Y372-M439 HydrophobicContact CE2-SD 3.88Å; Y372-M439 HydrophobicContact CG-CE 4.35Å; Y372-M439 HydrophobicContact CG-SD 4.47Å
373	Q	95	Very high	94	Very high	111 Å²	111	44.5 Å²	44.5	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-45.1	177.5	-71.1	171.4	-1	0	0	112	S369 L371 T377	S369-Q373 WeakPolarHBondContact O-CG 3.44Å; S369-Q373 PolarHBondContact O-N 3.35Å; L371-Q373 PolarHBondContact O-N 3.4Å; Q373-T377 WeakPolarHBondContact O-CB 3.5Å; Q373-T377 PolarHBondContact O-N 3.42Å; Q373-T377 PolarHBondContact O-OG1 2.83Å
374	L	94.4	Very high	94.3	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-51	176.2	176.9	62.6	0	0	0	111.1	T341 F345 L346 K370 L371 T377 S378	T341-L374 HydrophobicContact CG2-CD1 3.97Å; F345-L374 HydrophobicContact CD1-CD2 4.18Å; F345-L374 HydrophobicContact CE1-CD2 3.89Å; F345-L374 HydrophobicContact CZ-CD2 4.42Å; L346-L374 HydrophobicContact CD1-CD2 4.38Å; L346-L374 HydrophobicContact CD2-CD2 3.75Å; L346-L374 HydrophobicContact CG-CD2 3.98Å; K370-L374 WeakPolarHBondContact O-CB 3.43Å; K370-L374 PolarHBondContact O-N 2.92Å; L371-L374 PolarHBondContact O-N 2.81Å; L374-T377 PolarHBondContact O-N 2.63Å; L374-S378 WeakPolarHBondContact O-CB 3.25Å; L374-S378 PolarHBondContact O-N 2.79Å; L374-S378 PolarHBondContact O-OG 2.96Å
375	Y	95.5	Very high	94.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-41.1	-179	-64.9	-33.8	0	0	0	113.2	L346 L371 Y372 T377 S378 V379 F380 R432 L435 I436 M439 L472	L346-Y375 HydrophobicContact CD1-CE1 4.06Å; L346-Y375 HydrophobicContact CD2-CE1 4.21Å; L371-Y375 HydrophobicContact CB-CD2 4.43Å; L371-Y375 HydrophobicContact CB-CE2 4.12Å; L371-Y375 HydrophobicContact CD2-CE2 4.3Å; L371-Y375 WeakPolarHBondContact O-CB 3.46Å; L371-Y375 WeakPolarHBondContact O-CD2 3.29Å; L371-Y375 VanDerWaalsContact O-CG 3.25Å; L371-Y375 PolarHBondContact O-N 3.4Å; Y372-Y375 PolarHBondContact O-N 3.3Å; Y375-T377 VanDerWaalsContact C-N 3.33Å; Y375-T377 PolarHBondContact O-N 2.94Å; Y375-S378 PolarHBondContact O-N 3.03Å; Y375-V379 WeakPolarHBondContact O-CA 3.46Å; Y375-V379 WeakPolarHBondContact O-CB 3.49Å; Y375-V379 PolarHBondContact O-N 3.12Å; Y375-F380 WeakPolarHBondContact O-CD2 3.07Å; Y375-F380 PolarHBondContact O-N 2.99Å; Y375-R432 WeakPolarHBondContact OH-CG 3.27Å; Y375-R432 PolarHBondContact OH-O 3.34Å; Y375-L435 HydrophobicContact CD2-CD2 4.45Å; Y375-L435 HydrophobicContact CD2-CG 4.42Å; Y375-L435 HydrophobicContact CE2-CB 4.43Å; Y375-L435 HydrophobicContact CE2-CD2 4.45Å; Y375-L435 HydrophobicContact CE2-CG 4.44Å; Y375-I436 HydrophobicContact CD1-CD1 4.1Å; Y375-I436 HydrophobicContact CD2-CB 4.15Å; Y375-I436 HydrophobicContact CD2-CD1 4.1Å; Y375-I436 HydrophobicContact CE1-CB 4.47Å; Y375-I436 HydrophobicContact CE2-CB 3.78Å; Y375-I436 HydrophobicContact CG-CD1 3.86Å; Y375-M439 HydrophobicContact CD2-SD 3.8Å; Y375-M439 HydrophobicContact CG-SD 4.33Å; Y375-L472 HydrophobicContact CE1-CD1 4.22Å
376	N	95.9	Very high	94.2	Very high	3 Å²	3	45 Å²	45	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-46.4	176.6	-167.2	19.5	0	0	0	110.9	Y372 S378 F380 D381 N382 L384 M439	Y372-N376 WeakPolarHBondContact O-CB 3.26Å; Y372-N376 PolarHBondContact O-N 2.77Å; N376-S378 PolarHBondContact O-N 2.77Å; N376-F380 CarbonylContact O-C 3.33Å; N376-F380 PolarHBondContact O-N 3.4Å; N376-D381 PolarHBondContact O-N 2.86Å; N376-D381 VanDerWaalsContact O-N 3.11Å; N376-N382 PolarHBondContact O-N 3.3Å; N376-N382 WeakPolarHBondContact OD1-CA 3.46Å; N376-L384 PolarHBondContact ND2-O 3.1Å; N376-L384 WeakPolarHBondContact OD1-CB 3.48Å; N376-L384 PolarHBondContact OD1-N 3.38Å; N376-L384 VanDerWaalsContact OD1-N 3.1Å; N376-M439 HydrophobicContact CB-CE 4.32Å
377	T	94.6	Very high	93.9	Very high	84 Å²	84	48 Å²	48	52%	0.515	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-44.4	179.4	-54	0	0	0	0	112.6	Q373 L374 Y375 N382	Q373-T377 WeakPolarHBondContact O-CB 3.5Å; Q373-T377 PolarHBondContact O-N 3.42Å; Q373-T377 PolarHBondContact O-OG1 2.83Å; L374-T377 PolarHBondContact O-N 2.63Å; Y375-T377 VanDerWaalsContact C-N 3.33Å; Y375-T377 PolarHBondContact O-N 2.94Å; T377-N382 VanDerWaalsContact CA-OD1 3.3Å; T377-N382 WeakPolarHBondContact CA-OD1 3.3Å; T377-N382 PolarHBondContact N-OD1 2.97Å; T377-N382 PolarHBondContact OG1-OD1 3.5Å
378	S	93.6	Very high	93.9	Very high	10 Å²	10	48.7 Å²	48.7	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-98.4	-33.2	-167.5	58.4	0	0	0	0	115.3	L374 Y375 N376 H469	L374-S378 WeakPolarHBondContact O-CB 3.25Å; L374-S378 PolarHBondContact O-N 2.79Å; L374-S378 PolarHBondContact O-OG 2.96Å; Y375-S378 PolarHBondContact O-N 3.03Å; N376-S378 PolarHBondContact O-N 2.77Å; S378-H469 PolarHBondContact OG-CE1 2.91Å; S378-H469 PolarHBondContact OG-NE2 3.45Å
379	V	94.6	Very high	93.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-37.5	-177.7	-176.7	0	0	0	0	111.1	Y375 I436 K464 S465 M468	Y375-V379 WeakPolarHBondContact O-CA 3.46Å; Y375-V379 WeakPolarHBondContact O-CB 3.49Å; Y375-V379 PolarHBondContact O-N 3.12Å; V379-I436 HydrophobicContact CG1-CD1 4.4Å; V379-I436 HydrophobicContact CG2-CD1 4.32Å; V379-K464 HydrophobicContact CG1-CG 4.48Å; V379-K464 WeakPolarHBondContact O-CD 3.2Å; V379-K464 WeakPolarHBondContact O-CE 3.43Å; V379-K464 PolarHBondContact O-NZ 2.9Å; V379-S465 WeakPolarHBondContact CG1-OG 3.44Å; V379-M468 HydrophobicContact CG2-CB 4.46Å
380	F	95.3	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-107	9.2	-172.8	-54.2	-73.5	0	0	0	114.2	Y375 N376 N382 K383 L384 I436 M439 A443 I447 Y461	Y375-F380 WeakPolarHBondContact O-CD2 3.07Å; Y375-F380 PolarHBondContact O-N 2.99Å; N376-F380 CarbonylContact O-C 3.33Å; N376-F380 PolarHBondContact O-N 3.4Å; F380-N382 PolarHBondContact O-N 3.02Å; F380-K383 VanDerWaalsContact O-CB 3.24Å; F380-K383 WeakPolarHBondContact O-CB 3.41Å; F380-K383 WeakPolarHBondContact O-CG 3.47Å; F380-K383 PolarHBondContact O-N 2.89Å; F380-L384 HydrophobicContact CB-CD1 3.99Å; F380-L384 HydrophobicContact CB-CG 3.92Å; F380-L384 HydrophobicContact CD1-CD1 4.25Å; F380-L384 HydrophobicContact CD2-CD1 3.61Å; F380-L384 HydrophobicContact CD2-CG 4.47Å; F380-L384 HydrophobicContact CE2-CD1 4.15Å; F380-L384 HydrophobicContact CG-CD1 3.66Å; F380-L384 HydrophobicContact CG-CG 4.08Å; F380-I436 HydrophobicContact CE2-CD1 3.65Å; F380-I436 HydrophobicContact CZ-CD1 3.85Å; F380-M439 HydrophobicContact CD2-CE 3.8Å; F380-M439 HydrophobicContact CE2-CB 3.67Å; F380-M439 HydrophobicContact CE2-CE 3.8Å; F380-M439 HydrophobicContact CZ-CB 3.87Å; F380-A443 HydrophobicContact CD1-CB 3.47Å; F380-A443 VanDerWaalsContact CD1-CB 3.47Å; F380-A443 HydrophobicContact CE1-CB 3.38Å; F380-A443 HydrophobicContact CZ-CB 4.4Å; F380-I447 HydrophobicContact CB-CD1 4.3Å; F380-I447 HydrophobicContact CD1-CD1 4.31Å; F380-Y461 AromaticContact CD1-CD1 3.78Å; F380-Y461 HydrophobicContact CD1-CD1 3.78Å; F380-Y461 HydrophobicContact CD1-CE1 4.01Å; F380-Y461 HydrophobicContact CD1-CG 4.4Å; F380-Y461 AromaticContact CE1-CD1 3.65Å; F380-Y461 HydrophobicContact CE1-CD1 3.65Å; F380-Y461 HydrophobicContact CE1-CE1 4.3Å; F380-Y461 AromaticContact CE1-CG 3.87Å; F380-Y461 HydrophobicContact CE1-CG 3.87Å
381	D	93.3	Very high	94	Very high	75 Å²	75	48.1 Å²	48.1	40%	0.401	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	32.1	176.3	-38.9	-47.6	0	0	0	113.6	N376 K383 K464	N376-D381 PolarHBondContact O-N 2.86Å; N376-D381 VanDerWaalsContact O-N 3.11Å; D381-K383 HydrophobicContact CB-CD 4.16Å; D381-K383 HydrophobicContact CB-CG 4.36Å; D381-K383 PolarHBondContact O-N 3.46Å; D381-K383 IonicContact OD2-NZ 2.69Å; D381-K383 PolarHBondContact OD2-NZ 2.86Å; D381-K464 VanDerWaalsContact CG-NZ 3.25Å; D381-K464 IonicContact OD1-NZ 3.62Å; D381-K464 PolarHBondContact OD1-NZ 2.89Å; D381-K464 IonicContact OD2-NZ 3.19Å; D381-K464 PolarHBondContact OD2-NZ 2.86Å
382	N	94.2	Very high	94	Very high	97 Å²	97	50 Å²	50	52%	0.519	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	24.4	-170.9	-72.1	-44	0	0	0	115.5	N376 T377 F380	N376-N382 PolarHBondContact O-N 3.3Å; N376-N382 WeakPolarHBondContact OD1-CA 3.46Å; T377-N382 VanDerWaalsContact CA-OD1 3.3Å; T377-N382 WeakPolarHBondContact CA-OD1 3.3Å; T377-N382 PolarHBondContact N-OD1 2.97Å; T377-N382 PolarHBondContact OG1-OD1 3.5Å; F380-N382 PolarHBondContact O-N 3.02Å
383	K	93.9	Very high	93.9	Very high	118 Å²	118	51.1 Å²	51.1	51%	0.513	28%	0.28	S	S	.	.			trans	-87.8	-7.3	179.8	-61.8	165.5	-176	155.5	0	114.3	F380 D381 I447	F380-K383 VanDerWaalsContact O-CB 3.24Å; F380-K383 WeakPolarHBondContact O-CB 3.41Å; F380-K383 WeakPolarHBondContact O-CG 3.47Å; F380-K383 PolarHBondContact O-N 2.89Å; D381-K383 HydrophobicContact CB-CD 4.16Å; D381-K383 HydrophobicContact CB-CG 4.36Å; D381-K383 PolarHBondContact O-N 3.46Å; D381-K383 IonicContact OD2-NZ 2.69Å; D381-K383 PolarHBondContact OD2-NZ 2.86Å; K383-I447 HydrophobicContact CB-CD1 3.75Å; K383-I447 HydrophobicContact CB-CG1 3.93Å; K383-I447 HydrophobicContact CD-CD1 4.47Å; K383-I447 HydrophobicContact CD-CG2 4.07Å
384	L	94.3	Very high	93.7	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-87.8	148	167.6	-56.2	174.8	0	0	0	109.6	Y372 N376 F380 T386 M439 A442 A443 L446 I447	Y372-L384 WeakPolarHBondContact OH-CB 3.45Å; N376-L384 PolarHBondContact ND2-O 3.1Å; N376-L384 WeakPolarHBondContact OD1-CB 3.48Å; N376-L384 PolarHBondContact OD1-N 3.38Å; N376-L384 VanDerWaalsContact OD1-N 3.1Å; F380-L384 HydrophobicContact CB-CD1 3.99Å; F380-L384 HydrophobicContact CB-CG 3.92Å; F380-L384 HydrophobicContact CD1-CD1 4.25Å; F380-L384 HydrophobicContact CD2-CD1 3.61Å; F380-L384 HydrophobicContact CD2-CG 4.47Å; F380-L384 HydrophobicContact CE2-CD1 4.15Å; F380-L384 HydrophobicContact CG-CD1 3.66Å; F380-L384 HydrophobicContact CG-CG 4.08Å; L384-T386 PolarHBondContact O-N 2.85Å; L384-M439 HydrophobicContact CD1-CB 4.35Å; L384-M439 HydrophobicContact CD1-CE 3.63Å; L384-A442 HydrophobicContact CD2-CB 4.44Å; L384-A443 HydrophobicContact CD2-CB 4.18Å; L384-L446 HydrophobicContact CD2-CB 4.35Å; L384-L446 HydrophobicContact CD2-CD1 4.2Å; L384-I447 HydrophobicContact CD2-CD1 4.16Å; L384-I447 HydrophobicContact CD2-CG1 4.24Å
385	P	93.5	Very high	93.4	Very high	56 Å²	56	60.7 Å²	60.7	36%	0.364	32%	0.319	S	S	.	.			trans	-58.4	129.5	177.9	-23.7	33.2	0	0	0	111.7	Y372 N387 M388 L446	Y372-P385 WeakPolarHBondContact CE1-O 3.39Å; Y372-P385 PolarHBondContact OH-O 3.5Å; P385-N387 PolarHBondContact O-N 2.77Å; P385-N387 VanDerWaalsContact O-N 3.08Å; P385-M388 HydrophobicContact CB-CB 4.26Å; P385-M388 WeakPolarHBondContact O-CB 3.34Å; P385-M388 PolarHBondContact O-N 3.03Å; P385-L446 HydrophobicContact CG-CD1 4.15Å
386	T	90.1	Very high	93	Very high	112 Å²	112	61.5 Å²	61.5	69%	0.687	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.2	-179.5	-44.5	0	0	0	0	112.8	L384	L384-T386 PolarHBondContact O-N 2.85Å
387	N	86.4	Confident	92.5	Very high	144 Å²	144	67.4 Å²	67.4	77%	0.77	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	25	179	65.8	-26.7	0	0	0	113.4	P385 S389	P385-N387 PolarHBondContact O-N 2.77Å; P385-N387 VanDerWaalsContact O-N 3.08Å; N387-S389 PolarHBondContact O-N 2.78Å
388	M	92.4	Very high	91.9	Very high	17 Å²	17	70.8 Å²	70.8	8%	0.084	35%	0.353	C	S	.	.			trans	-58	134.1	176.4	-171.4	170.1	62.6	0	0	110.7	Y372 P385 V390 A416 I418 A442 L446	Y372-M388 HydrophobicContact CE2-CB 4.44Å; Y372-M388 HydrophobicContact CE2-CE 3.62Å; Y372-M388 VanDerWaalsContact OH-CB 3.3Å; Y372-M388 WeakPolarHBondContact OH-CB 3.47Å; P385-M388 HydrophobicContact CB-CB 4.26Å; P385-M388 WeakPolarHBondContact O-CB 3.34Å; P385-M388 PolarHBondContact O-N 3.03Å; M388-V390 PolarHBondContact O-N 3.44Å; M388-A416 WeakPolarHBondContact CG-O 3.32Å; M388-A416 HydrophobicContact SD-CB 3.83Å; M388-I418 HydrophobicContact CE-CD1 3.77Å; M388-I418 HydrophobicContact CE-CG1 4.3Å; M388-A442 HydrophobicContact CE-CB 3.7Å; M388-A442 HydrophobicContact SD-CB 3.92Å; M388-L446 HydrophobicContact SD-CD1 3.88Å
389	S	92.9	Very high	91.7	Very high	60 Å²	60	72.2 Å²	72.2	42%	0.42	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.2	-175.1	-172.2	0	0	0	0	111.3	N387 R417 I418	N387-S389 PolarHBondContact O-N 2.78Å; S389-R417 CarbonylContact O-C 3.37Å; S389-R417 WeakPolarHBondContact O-CA 3.37Å; S389-I418 PolarHBondContact O-N 3.15Å
390	V	96.5	Very high	91.5	Very high	33 Å²	33	72.7 Å²	72.7	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.7	169.3	-171.1	0	0	0	0	107.9	T368 Y372 M388 I418 L420 L435	T368-V390 HydrophobicContact CG2-CB 4.18Å; T368-V390 HydrophobicContact CG2-CG1 3.53Å; Y372-V390 HydrophobicContact CD2-CG2 4.16Å; M388-V390 PolarHBondContact O-N 3.44Å; V390-I418 CarbonylContact C-O 3.55Å; V390-I418 WeakPolarHBondContact CA-O 3.23Å; V390-I418 HydrophobicContact CG1-CB 4.14Å; V390-I418 HydrophobicContact CG1-CG2 4.12Å; V390-I418 HydrophobicContact CG2-CB 4.26Å; V390-I418 HydrophobicContact CG2-CD1 4.42Å; V390-L420 HydrophobicContact CG1-CD1 3.76Å; V390-L420 HydrophobicContact CG1-CG 4.26Å; V390-L435 HydrophobicContact CG1-CD1 4.07Å; V390-L435 HydrophobicContact CG2-CD1 4.5Å
391	T	96.1	Very high	91.4	Very high	59 Å²	59	72.8 Å²	72.8	36%	0.362	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.1	-171.4	64.3	0	0	0	0	113.2	I418 E419 L420	T391-I418 PolarHBondContact N-O 3.44Å; T391-E419 CarbonylContact O-C 3.56Å; T391-E419 WeakPolarHBondContact O-CA 3.43Å; T391-L420 PolarHBondContact O-N 3.45Å
392	W	95.6	Very high	91.5	Very high	39 Å²	39	71.5 Å²	71.5	15%	0.148	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111	-175.4	-76.9	93.8	0	0	0	112.2	F360 K364 T368 L420 D422 C425 L431	F360-W392 AromaticContact CZ-CH2 3.91Å; F360-W392 HydrophobicContact CZ-CH2 3.91Å; K364-W392 HydrophobicContact CB-CH2 4.31Å; K364-W392 HydrophobicContact CB-CZ2 3.83Å; K364-W392 HydrophobicContact CD-CD2 3.85Å; K364-W392 HydrophobicContact CD-CE3 4Å; K364-W392 HydrophobicContact CD-CG 4.45Å; K364-W392 HydrophobicContact CD-CH2 4.09Å; K364-W392 HydrophobicContact CD-CZ2 3.95Å; K364-W392 HydrophobicContact CD-CZ3 4.11Å; K364-W392 HydrophobicContact CG-CD2 4.48Å; K364-W392 HydrophobicContact CG-CZ2 4.02Å; T368-W392 WeakPolarHBondContact OG1-CZ2 3.32Å; T368-W392 PolarHBondContact OG1-NE1 2.98Å; W392-L420 HydrophobicContact CD2-CB 4.1Å; W392-L420 HydrophobicContact CE3-CB 3.9Å; W392-L420 HydrophobicContact CH2-CB 4.29Å; W392-L420 HydrophobicContact CH2-CD1 4.38Å; W392-L420 HydrophobicContact CZ2-CB 4.45Å; W392-L420 HydrophobicContact CZ2-CD1 3.98Å; W392-L420 HydrophobicContact CZ3-CB 4.01Å; W392-D422 VanDerWaalsContact CE3-OD1 3.28Å; W392-C425 HydrophobicContact CH2-CB 4.32Å; W392-C425 HydrophobicContact CZ3-CB 4.08Å; W392-L431 HydrophobicContact CH2-CD1 3.9Å; W392-L431 HydrophobicContact CZ2-CD1 3.65Å; W392-L431 HydrophobicContact CZ2-CD2 4.05Å; W392-L431 HydrophobicContact CZ2-CG 4.41Å
393	N	93.3	Very high	91.5	Very high	36 Å²	36	66.9 Å²	66.9	19%	0.193	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.3	-174.2	-171	-37.6	0	0	0	111.7	K395 M396 E419 L420 D422	N393-K395 VanDerWaalsContact C-N 3.25Å; N393-K395 PolarHBondContact O-N 2.71Å; N393-K395 WeakPolarHBondContact OD1-CA 3.36Å; N393-K395 WeakPolarHBondContact OD1-CB 3.26Å; N393-K395 PolarHBondContact OD1-N 2.8Å; N393-M396 HydrophobicContact CB-CB 4.21Å; N393-M396 PolarHBondContact OD1-N 3.02Å; N393-M396 VanDerWaalsContact OD1-N 3.14Å; N393-E419 PolarHBondContact ND2-OE2 3.14Å; N393-L420 PolarHBondContact N-O 3.49Å; N393-D422 PolarHBondContact O-N 3.49Å
394	K	90.3	Very high	91.5	Very high	148 Å²	148	61.3 Å²	61.3	64%	0.643	31%	0.307	S	S	*	.	S	Bend	trans	-68.9	-15.4	179.4	-71.6	171.5	-177.2	174.4	0	114.7	D422	K394-D422 HydrophobicContact CG-CB 4.28Å; K394-D422 WeakPolarHBondContact CG-OD2 3.15Å
395	K	88.8	Confident	91.5	Very high	179 Å²	179	61.5 Å²	61.5	78%	0.778	31%	0.308	S	S	*	.	S	Bend	trans	-95.8	-25.6	-177.3	-63.9	179.4	178.7	177.5	0	112.9	N393 R397	N393-K395 VanDerWaalsContact C-N 3.25Å; N393-K395 PolarHBondContact O-N 2.71Å; N393-K395 WeakPolarHBondContact OD1-CA 3.36Å; N393-K395 WeakPolarHBondContact OD1-CB 3.26Å; N393-K395 PolarHBondContact OD1-N 2.8Å; K395-R397 WeakPolarHBondContact O-CG 3.49Å; K395-R397 PolarHBondContact O-N 3.33Å
396	M	87.6	Confident	91.4	Very high	17 Å²	17	59 Å²	59	8%	0.084	29%	0.292	C	S	.	.			trans	-66.5	126.5	-177.1	-174.1	154.6	64.8	0	0	112.8	N393 T399 Y402 L420 S421	N393-M396 HydrophobicContact CB-CB 4.21Å; N393-M396 PolarHBondContact OD1-N 3.02Å; N393-M396 VanDerWaalsContact OD1-N 3.14Å; M396-T399 PolarHBondContact SD-OG1 2.93Å; M396-Y402 HydrophobicContact CE-CD1 4.3Å; M396-Y402 HydrophobicContact CE-CE1 4.41Å; M396-Y402 HydrophobicContact SD-CD1 3.4Å; M396-Y402 WeakPolarHBondContact SD-CD1 3.47Å; M396-Y402 HydrophobicContact SD-CE1 3.44Å; M396-Y402 WeakPolarHBondContact SD-CE1 3.4Å; M396-L420 VanDerWaalsContact CE-C 3.45Å; M396-S421 VanDerWaalsContact CE-N 3.35Å; M396-S421 PolarHBondContact O-OG 3.15Å
397	R	84.3	Confident	91.6	Very high	128 Å²	128	57 Å²	57	48%	0.483	28%	0.275	S	S	.	.			trans	-137.6	-14.6	-171.7	-66.8	165.7	-170	-172.9	2.1	115.8	K395 K423	K395-R397 WeakPolarHBondContact O-CG 3.49Å; K395-R397 PolarHBondContact O-N 3.33Å; R397-K423 HydrophobicContact CG-CG 4.43Å
398	K	82.7	Confident	91.8	Very high	155 Å²	155	54.7 Å²	54.7	67%	0.674	26%	0.26	S	S	*	.	S	Bend	trans	-85.1	-59.5	175.4	-76	-170.5	176.3	-175	0	110
399	T	88.8	Confident	91.5	Very high	40 Å²	40	60.3 Å²	60.3	25%	0.245	28%	0.284	C	S	.	.			trans	-98.7	165.2	-176.3	57.2	0	0	0	0	113.2	M396 G401 S421 V424	M396-T399 PolarHBondContact SD-OG1 2.93Å; T399-G401 WeakPolarHBondContact CB-O 3.38Å; T399-G401 PolarHBondContact OG1-O 3.44Å; T399-S421 WeakPolarHBondContact O-CB 3.36Å; T399-V424 WeakPolarHBondContact O-CG2 3.5Å
400	A	91.1	Very high	91	Very high	9 Å²	9	61.9 Å²	61.9	7%	0.074	31%	0.31	C	S	.	.	S	Bend	trans	-82	-34.6	174.9	0	0	0	0	0	113.1	S421 V424 T434 Y481	A400-S421 WeakPolarHBondContact O-CB 3.48Å; A400-S421 PolarHBondContact O-N 3.4Å; A400-V424 HydrophobicContact CB-CB 4.46Å; A400-V424 HydrophobicContact CB-CG1 3.77Å; A400-T434 HydrophobicContact CB-CG2 3.69Å; A400-Y481 HydrophobicContact CB-CD2 3.77Å; A400-Y481 HydrophobicContact CB-CE2 3.51Å
401	G	93.7	Very high	90.2	Very high	2 Å²	2	63 Å²	63	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-177.5	174	0	0	0	0	0	111.1	T399 E419	T399-G401 WeakPolarHBondContact CB-O 3.38Å; T399-G401 PolarHBondContact OG1-O 3.44Å; G401-E419 CarbonylContact C-O 3.58Å; G401-E419 WeakPolarHBondContact CA-O 3.35Å
402	Y	94.1	Very high	89.6	Confident	49 Å²	49	61.6 Å²	61.6	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.2	151.7	54.6	-109.5	0	0	0	110.7	V170 M396 V404 E419 E438	V170-Y402 HydrophobicContact CG1-CD2 4.28Å; V170-Y402 HydrophobicContact CG1-CG 4.11Å; M396-Y402 HydrophobicContact CE-CD1 4.3Å; M396-Y402 HydrophobicContact CE-CE1 4.41Å; M396-Y402 HydrophobicContact SD-CD1 3.4Å; M396-Y402 WeakPolarHBondContact SD-CD1 3.47Å; M396-Y402 HydrophobicContact SD-CE1 3.44Å; M396-Y402 WeakPolarHBondContact SD-CE1 3.4Å; Y402-V404 HydrophobicContact CD2-CG2 3.58Å; Y402-V404 HydrophobicContact CE2-CG2 3.46Å; Y402-V404 VanDerWaalsContact CE2-CG2 3.46Å; Y402-E419 HydrophobicContact CD2-CB 4.11Å; Y402-E419 HydrophobicContact CD2-CG 4.43Å; Y402-E419 HydrophobicContact CE1-CB 4.41Å; Y402-E419 HydrophobicContact CE2-CB 3.67Å; Y402-E419 HydrophobicContact CE2-CG 3.67Å; Y402-E419 VanDerWaalsContact CE2-OE1 3.24Å; Y402-E419 WeakPolarHBondContact CE2-OE1 3.4Å; Y402-E419 VanDerWaalsContact CZ-CD 3.49Å; Y402-E419 PolarHBondContact N-O 2.9Å; Y402-E419 PolarHBondContact O-N 3.46Å; Y402-E419 PolarHBondContact OH-OE1 3.34Å; Y402-E419 PolarHBondContact OH-OE2 3.46Å; Y402-E438 VanDerWaalsContact C-OE2 3.27Å; Y402-E438 WeakPolarHBondContact CA-OE2 3.42Å
403	C	95.3	Very high	89.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.3	163.7	-167.3	0	0	0	0	110.4	S171 E438 H441	S171-C403 PolarHBondContact N-O 3.08Å; C403-E438 HydrophobicContact CB-CB 4.41Å; C403-E438 PolarHBondContact N-OE2 3.13Å; C403-H441 HydrophobicContact CB-CB 3.63Å
404	V	94.6	Very high	89.3	Confident	1 Å²	1	69 Å²	69	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.3	166.8	-174.9	0	0	0	0	108.2	V168 Y402 A416 R417	V168-V404 HydrophobicContact CG1-CG1 3.58Å; Y402-V404 HydrophobicContact CD2-CG2 3.58Å; Y402-V404 HydrophobicContact CE2-CG2 3.46Å; Y402-V404 VanDerWaalsContact CE2-CG2 3.46Å; V404-A416 CarbonylContact O-C 3.58Å; V404-A416 VanDerWaalsContact O-CA 3.27Å; V404-A416 WeakPolarHBondContact O-CA 3.46Å; V404-R417 HydrophobicContact CB-CG 3.84Å; V404-R417 HydrophobicContact CG2-CG 4.32Å; V404-R417 PolarHBondContact N-O 3.3Å; V404-R417 PolarHBondContact O-N 2.76Å
405	T	93.8	Very high	89.5	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.043	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.3	178.5	54.7	0	0	0	0	110.8	F169 A416 W445 R451	F169-T405 PolarHBondContact O-N 3.48Å; T405-A416 HydrophobicContact CG2-CB 4.31Å; T405-W445 VanDerWaalsContact CB-CD1 3.48Å; T405-W445 HydrophobicContact CG2-CB 3.7Å; T405-W445 HydrophobicContact CG2-CG 3.86Å; T405-R451 PolarHBondContact OG1-NE 3.36Å
406	G	92	Very high	89.8	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	177.2	178.2	0	0	0	0	0	114	Y415 W445	G406-Y415 PolarHBondContact N-O 2.87Å; G406-Y415 PolarHBondContact O-N 3.19Å; G406-Y415 VanDerWaalsContact O-O 3.1Å; G406-W445 PolarHBondContact O-NE1 3.39Å
407	Q	92.4	Very high	90.2	Very high	70 Å²	70	60.2 Å²	60.2	33%	0.327	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.8	174.1	-159.8	167.1	-9.4	0	0	109.7	G411 G412 N413 R414 W445	Q407-G411 PolarHBondContact NE2-O 3.44Å; Q407-G411 VanDerWaalsContact NE2-O 3.1Å; Q407-G412 WeakPolarHBondContact CG-O 3.06Å; Q407-G412 PolarHBondContact NE2-O 3.41Å; Q407-N413 WeakPolarHBondContact CA-O 3.22Å; Q407-R414 HydrophobicContact CG-CG 4.45Å; Q407-W445 HydrophobicContact CB-CZ2 4.18Å
408	E	90.7	Very high	90.8	Very high	96 Å²	96	54.1 Å²	54.1	45%	0.449	30%	0.296	S	S	.	.			trans	-63.9	154.1	172	-67.1	171.6	160.1	0	0	111.3	G411 G412 N413 Y415	E408-G411 PolarHBondContact O-N 2.99Å; E408-G412 PolarHBondContact O-N 2.81Å; E408-N413 PolarHBondContact N-O 3.34Å; E408-N413 WeakPolarHBondContact OE2-CB 3.39Å; E408-N413 PolarHBondContact OE2-N 3.49Å; E408-N413 PolarHBondContact OE2-ND2 3.4Å; E408-Y415 HydrophobicContact CG-CD1 4.48Å
409	K	87.9	Confident	91.5	Very high	136 Å²	136	48.1 Å²	48.1	59%	0.591	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-63.7	149	179.1	-68.3	-164.6	171	-150.4	0	110.9	N165 G411	N165-K409 WeakPolarHBondContact O-CE 3.24Å; N165-K409 PolarHBondContact O-NZ 2.97Å; K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.94Å
410	G	82.3	Confident	91.9	Very high	93 Å²	93	46.2 Å²	46.2	96%	0.959	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	75.4	12.7	-176.7	0	0	0	0	0	114.5
411	G	80	Confident	92	Very high	57 Å²	57	45.8 Å²	45.8	59%	0.588	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	81.5	20.5	-179.2	0	0	0	0	0	114.1	Q407 E408 K409	Q407-G411 PolarHBondContact NE2-O 3.44Å; Q407-G411 VanDerWaalsContact NE2-O 3.1Å; E408-G411 PolarHBondContact O-N 2.99Å; K409-G411 VanDerWaalsContact C-N 3.28Å; K409-G411 PolarHBondContact O-N 2.94Å
412	G	83.6	Confident	91.9	Very high	29 Å²	29	47.5 Å²	47.5	30%	0.299	26%	0.263	S	S	.	.			trans	-65.7	-156.5	176.2	0	0	0	0	0	113.9	Q407 E408	Q407-G412 WeakPolarHBondContact CG-O 3.06Å; Q407-G412 PolarHBondContact NE2-O 3.41Å; E408-G412 PolarHBondContact O-N 2.81Å
413	N	88.8	Confident	91.6	Very high	115 Å²	115	48.8 Å²	48.8	62%	0.615	27%	0.27	S	S	*	.			trans	-65.1	147.8	-168.6	-60.6	-72.1	0	0	0	112.7	Q407 E408	Q407-N413 WeakPolarHBondContact CA-O 3.22Å; E408-N413 PolarHBondContact N-O 3.34Å; E408-N413 WeakPolarHBondContact OE2-CB 3.39Å; E408-N413 PolarHBondContact OE2-N 3.49Å; E408-N413 PolarHBondContact OE2-ND2 3.4Å
414	R	93.3	Very high	91.2	Very high	116 Å²	116	49 Å²	49	44%	0.438	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.5	166.9	-65	-172.5	178.2	120.8	1.3	108.7	Q407 W445 L446 G449	Q407-R414 HydrophobicContact CG-CG 4.45Å; R414-W445 HydrophobicContact CB-CZ2 4.13Å; R414-W445 WeakPolarHBondContact CD-O 3.32Å; R414-W445 HydrophobicContact CG-CD2 4.42Å; R414-W445 HydrophobicContact CG-CH2 4.02Å; R414-W445 HydrophobicContact CG-CZ2 3.57Å; R414-L446 HydrophobicContact CB-CD2 3.85Å; R414-L446 WeakPolarHBondContact O-CD2 3.01Å; R414-G449 VanDerWaalsContact NH1-CA 3.31Å
415	Y	94	Very high	91	Very high	72 Å²	72	49 Å²	49	28%	0.282	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.7	172.6	69.5	-97	0	0	0	110.8	G406 E408 W445	G406-Y415 PolarHBondContact N-O 2.87Å; G406-Y415 PolarHBondContact O-N 3.19Å; G406-Y415 VanDerWaalsContact O-O 3.1Å; E408-Y415 HydrophobicContact CG-CD1 4.48Å; Y415-W445 VanDerWaalsContact O-CD1 3.31Å; Y415-W445 PolarHBondContact O-NE1 3.06Å
416	A	95.7	Very high	90.7	Very high	11 Å²	11	50.4 Å²	50.4	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.6	165	0	0	0	0	0	109.2	M388 V404 T405 A442 L446	M388-A416 WeakPolarHBondContact CG-O 3.32Å; M388-A416 HydrophobicContact SD-CB 3.83Å; V404-A416 CarbonylContact O-C 3.58Å; V404-A416 VanDerWaalsContact O-CA 3.27Å; V404-A416 WeakPolarHBondContact O-CA 3.46Å; T405-A416 HydrophobicContact CG2-CB 4.31Å; A416-A442 HydrophobicContact CB-CB 3.98Å; A416-L446 HydrophobicContact CB-CD1 3.98Å; A416-L446 HydrophobicContact CB-CD2 4.35Å; A416-L446 HydrophobicContact CB-CG 4.09Å
417	R	95.9	Very high	90.5	Very high	76 Å²	76	51.4 Å²	51.4	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.5	168.6	63.2	174.5	-171.9	-92.4	2	109.5	S389 V404	S389-R417 CarbonylContact O-C 3.37Å; S389-R417 WeakPolarHBondContact O-CA 3.37Å; V404-R417 HydrophobicContact CB-CG 3.84Å; V404-R417 HydrophobicContact CG2-CG 4.32Å; V404-R417 PolarHBondContact N-O 3.3Å; V404-R417 PolarHBondContact O-N 2.76Å
418	I	97.3	Very high	90.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.3	-179.7	-60.9	173.1	0	0	0	108.5	M388 S389 V390 T391 L420 L435 E438 M439	M388-I418 HydrophobicContact CE-CD1 3.77Å; M388-I418 HydrophobicContact CE-CG1 4.3Å; S389-I418 PolarHBondContact O-N 3.15Å; V390-I418 CarbonylContact C-O 3.55Å; V390-I418 WeakPolarHBondContact CA-O 3.23Å; V390-I418 HydrophobicContact CG1-CB 4.14Å; V390-I418 HydrophobicContact CG1-CG2 4.12Å; V390-I418 HydrophobicContact CG2-CB 4.26Å; V390-I418 HydrophobicContact CG2-CD1 4.42Å; T391-I418 PolarHBondContact N-O 3.44Å; I418-L420 HydrophobicContact CG2-CD2 3.95Å; I418-L420 HydrophobicContact CG2-CG 4.17Å; I418-L435 HydrophobicContact CD1-CD1 4.2Å; I418-L435 HydrophobicContact CG2-CD1 4.5Å; I418-E438 HydrophobicContact CB-CB 4.41Å; I418-E438 HydrophobicContact CD1-CB 3.87Å; I418-E438 HydrophobicContact CG1-CB 3.95Å; I418-E438 HydrophobicContact CG2-CB 3.62Å; I418-E438 HydrophobicContact CG2-CG 3.94Å; I418-M439 HydrophobicContact CD1-CG 3.74Å
419	E	96.9	Very high	90.3	Very high	28 Å²	28	46.7 Å²	46.7	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.5	169.1	-62.6	-167.2	-128.1	0	0	109.8	T391 N393 G401 Y402	T391-E419 CarbonylContact O-C 3.56Å; T391-E419 WeakPolarHBondContact O-CA 3.43Å; N393-E419 PolarHBondContact ND2-OE2 3.14Å; G401-E419 CarbonylContact C-O 3.58Å; G401-E419 WeakPolarHBondContact CA-O 3.35Å; Y402-E419 HydrophobicContact CD2-CB 4.11Å; Y402-E419 HydrophobicContact CD2-CG 4.43Å; Y402-E419 HydrophobicContact CE1-CB 4.41Å; Y402-E419 HydrophobicContact CE2-CB 3.67Å; Y402-E419 HydrophobicContact CE2-CG 3.67Å; Y402-E419 VanDerWaalsContact CE2-OE1 3.24Å; Y402-E419 WeakPolarHBondContact CE2-OE1 3.4Å; Y402-E419 VanDerWaalsContact CZ-CD 3.49Å; Y402-E419 PolarHBondContact N-O 2.9Å; Y402-E419 PolarHBondContact O-N 3.46Å; Y402-E419 PolarHBondContact OH-OE1 3.34Å; Y402-E419 PolarHBondContact OH-OE2 3.46Å
420	L	96.3	Very high	90.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.1	-176.2	-61.6	175.2	0	0	0	111.1	T368 V390 T391 W392 N393 M396 I418 L431 T434	T368-L420 HydrophobicContact CG2-CD1 4.1Å; V390-L420 HydrophobicContact CG1-CD1 3.76Å; V390-L420 HydrophobicContact CG1-CG 4.26Å; T391-L420 PolarHBondContact O-N 3.45Å; W392-L420 HydrophobicContact CD2-CB 4.1Å; W392-L420 HydrophobicContact CE3-CB 3.9Å; W392-L420 HydrophobicContact CH2-CB 4.29Å; W392-L420 HydrophobicContact CH2-CD1 4.38Å; W392-L420 HydrophobicContact CZ2-CB 4.45Å; W392-L420 HydrophobicContact CZ2-CD1 3.98Å; W392-L420 HydrophobicContact CZ3-CB 4.01Å; N393-L420 PolarHBondContact N-O 3.49Å; M396-L420 VanDerWaalsContact CE-C 3.45Å; I418-L420 HydrophobicContact CG2-CD2 3.95Å; I418-L420 HydrophobicContact CG2-CG 4.17Å; L420-L431 HydrophobicContact CD1-CD1 3.58Å; L420-T434 HydrophobicContact CD2-CG2 4.03Å
421	S	93.7	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.1	-173.4	173.9	0	0	0	0	113.3	M396 T399 A400 K423 V424 C425	M396-S421 VanDerWaalsContact CE-N 3.35Å; M396-S421 PolarHBondContact O-OG 3.15Å; T399-S421 WeakPolarHBondContact O-CB 3.36Å; A400-S421 WeakPolarHBondContact O-CB 3.48Å; A400-S421 PolarHBondContact O-N 3.4Å; S421-K423 PolarHBondContact O-N 3.05Å; S421-K423 PolarHBondContact OG-N 3.2Å; S421-V424 PolarHBondContact O-N 3.45Å; S421-V424 PolarHBondContact OG-N 3.02Å; S421-C425 WeakPolarHBondContact O-CA 3.43Å; S421-C425 VanDerWaalsContact O-CB 3.26Å; S421-C425 WeakPolarHBondContact O-CB 3.26Å; S421-C425 PolarHBondContact O-N 3.14Å
422	D	90.9	Very high	91.6	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-5.5	168.2	-104.9	38	0	0	0	115	K364 W392 N393 K394	K364-D422 IonicContact NZ-OD1 2.65Å; K364-D422 PolarHBondContact NZ-OD1 3.4Å; K364-D422 IonicContact NZ-OD2 2.75Å; K364-D422 PolarHBondContact NZ-OD2 2.93Å; W392-D422 VanDerWaalsContact CE3-OD1 3.28Å; N393-D422 PolarHBondContact O-N 3.49Å; K394-D422 HydrophobicContact CG-CB 4.28Å; K394-D422 WeakPolarHBondContact CG-OD2 3.15Å
423	K	87.4	Confident	92	Very high	77 Å²	77	34.3 Å²	34.3	34%	0.335	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-25.4	-173.5	-55.2	-58.1	169.4	-143.1	0	114.1	R397 S421	R397-K423 HydrophobicContact CG-CG 4.43Å; S421-K423 PolarHBondContact O-N 3.05Å; S421-K423 PolarHBondContact OG-N 3.2Å
424	V	87.9	Confident	92.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-37.9	-179.1	179.2	0	0	0	0	111.2	T399 A400 S421 D426 R430 Y481 I483	T399-V424 WeakPolarHBondContact O-CG2 3.5Å; A400-V424 HydrophobicContact CB-CB 4.46Å; A400-V424 HydrophobicContact CB-CG1 3.77Å; S421-V424 PolarHBondContact O-N 3.45Å; S421-V424 PolarHBondContact OG-N 3.02Å; V424-D426 VanDerWaalsContact C-N 3.27Å; V424-D426 PolarHBondContact O-N 3.39Å; V424-D426 VanDerWaalsContact O-N 3.17Å; V424-R430 VanDerWaalsContact O-CD 3.27Å; V424-R430 WeakPolarHBondContact O-CD 3.48Å; V424-R430 PolarHBondContact O-NH1 3.48Å; V424-Y481 HydrophobicContact CG1-CD2 4.03Å; V424-I483 HydrophobicContact CG1-CD1 4.38Å; V424-I483 HydrophobicContact CG1-CG1 4.14Å; V424-I483 HydrophobicContact CG2-CD1 3.81Å; V424-I483 HydrophobicContact CG2-CG1 4.05Å; V424-I483 HydrophobicContact CG2-CG2 4.4Å
425	C	89.9	Confident	92.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.112	C	C	.	.			trans	-88.5	60.4	174.1	-174	0	0	0	0	110.2	F360 W392 S421 S427 L431	F360-C425 WeakPolarHBondContact CE1-O 3.37Å; F360-C425 WeakPolarHBondContact CZ-O 3.37Å; W392-C425 HydrophobicContact CH2-CB 4.32Å; W392-C425 HydrophobicContact CZ3-CB 4.08Å; S421-C425 WeakPolarHBondContact O-CA 3.43Å; S421-C425 VanDerWaalsContact O-CB 3.26Å; S421-C425 WeakPolarHBondContact O-CB 3.26Å; S421-C425 PolarHBondContact O-N 3.14Å; C425-S427 PolarHBondContact O-N 2.91Å; C425-L431 WeakPolarHBondContact SG-CA 3.39Å; C425-L431 PolarHBondContact SG-N 3.39Å; C425-L431 VanDerWaalsContact SG-N 3.38Å
426	D	87.8	Confident	92.5	Very high	36 Å²	36	19.9 Å²	19.9	19%	0.193	10%	0.099	C	C	.	.			trans	-86.5	2.9	-170.5	71.4	-53	0	0	0	115.5	F360 V424 R430 K484	F360-D426 VanDerWaalsContact CE1-C 3.47Å; V424-D426 VanDerWaalsContact C-N 3.27Å; V424-D426 PolarHBondContact O-N 3.39Å; V424-D426 VanDerWaalsContact O-N 3.17Å; D426-R430 IonicContact OD1-CZ 2.68Å; D426-R430 VanDerWaalsContact OD1-CZ 3.32Å; D426-R430 IonicContact OD1-NE 3.32Å; D426-R430 IonicContact OD1-NH1 3.96Å; D426-R430 PolarHBondContact OD1-NH1 3.23Å; D426-K484 IonicContact OD1-NZ 2.83Å; D426-K484 IonicContact OD2-NZ 3.69Å; D426-K484 PolarHBondContact OD2-NZ 3.38Å
427	S	88.4	Confident	92.5	Very high	24 Å²	24	19.7 Å²	19.7	17%	0.168	10%	0.096	C	C	.	.	S	Bend	trans	-152.2	164.9	-175.6	57	0	0	0	0	113.2	F360 C425 D429 R430 L431	F360-S427 WeakPolarHBondContact CZ-O 3.38Å; C425-S427 PolarHBondContact O-N 2.91Å; S427-D429 WeakPolarHBondContact CB-OD1 3.43Å; S427-D429 PolarHBondContact OG-OD1 3.08Å; S427-R430 PolarHBondContact O-N 2.78Å; S427-R430 WeakPolarHBondContact OG-CG 3.27Å; S427-L431 PolarHBondContact O-N 2.89Å
428	A	89.9	Confident	92.5	Very high	9 Å²	9	16.6 Å²	16.6	7%	0.074	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-37.5	-169.6	0	0	0	0	0	114.3	L349 Y356 F360 L367 R430 L431 R432	L349-A428 HydrophobicContact CB-CB 4.37Å; L349-A428 HydrophobicContact CD2-CB 4.21Å; Y356-A428 HydrophobicContact CG-CB 4.4Å; F360-A428 HydrophobicContact CD2-CB 4.06Å; F360-A428 HydrophobicContact CE2-CB 4.43Å; L367-A428 HydrophobicContact CD2-CB 3.89Å; A428-R430 VanDerWaalsContact C-N 3.33Å; A428-L431 PolarHBondContact O-N 3.11Å; A428-R432 VanDerWaalsContact O-CB 3.27Å; A428-R432 WeakPolarHBondContact O-CB 3.07Å; A428-R432 PolarHBondContact O-N 3.1Å
429	D	88.3	Confident	92.5	Very high	59 Å²	59	16.6 Å²	16.6	32%	0.316	9%	0.085	S	C	.	.	H	α-helix	trans	-55.3	-47.6	169.1	58.7	-52.6	0	0	0	111	S427 L431 R432 D433	S427-D429 WeakPolarHBondContact CB-OD1 3.43Å; S427-D429 PolarHBondContact OG-OD1 3.08Å; D429-L431 PolarHBondContact O-N 2.84Å; D429-R432 WeakPolarHBondContact O-CB 3.45Å; D429-R432 PolarHBondContact O-N 3.01Å; D429-D433 WeakPolarHBondContact O-CB 2.92Å; D429-D433 PolarHBondContact O-N 2.98Å
430	R	91.1	Very high	92.5	Very high	21 Å²	21	15.3 Å²	15.3	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-68	-37	179.2	-61.7	-172.8	175.3	-177	0.4	112.4	V424 D426 S427 A428 T434 Y481 D482	V424-R430 VanDerWaalsContact O-CD 3.27Å; V424-R430 WeakPolarHBondContact O-CD 3.48Å; V424-R430 PolarHBondContact O-NH1 3.48Å; D426-R430 IonicContact OD1-CZ 2.68Å; D426-R430 VanDerWaalsContact OD1-CZ 3.32Å; D426-R430 IonicContact OD1-NE 3.32Å; D426-R430 IonicContact OD1-NH1 3.96Å; D426-R430 PolarHBondContact OD1-NH1 3.23Å; S427-R430 PolarHBondContact O-N 2.78Å; S427-R430 WeakPolarHBondContact OG-CG 3.27Å; A428-R430 VanDerWaalsContact C-N 3.33Å; R430-T434 WeakPolarHBondContact O-CB 3.4Å; R430-T434 PolarHBondContact O-N 3.18Å; R430-T434 PolarHBondContact O-OG1 3.22Å; R430-Y481 HydrophobicContact CB-CE1 4.2Å; R430-Y481 HydrophobicContact CB-CE2 4.26Å; R430-Y481 HydrophobicContact CG-CD1 3.94Å; R430-Y481 HydrophobicContact CG-CE1 3.69Å; R430-Y481 HydrophobicContact CG-CE2 4.37Å; R430-Y481 HydrophobicContact CG-CG 4.39Å; R430-Y481 PolarHBondContact O-OH 3.19Å; R430-D482 PolarHBondContact NH2-O 3.09Å
431	L	93.1	Very high	92.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.5	-49.2	175.3	174.6	58.2	0	0	0	111	F360 L367 L371 W392 L420 C425 S427 A428 D429 D433 T434 L435	F360-L431 HydrophobicContact CE2-CB 3.75Å; F360-L431 HydrophobicContact CE2-CD2 3.67Å; F360-L431 HydrophobicContact CE2-CG 4.36Å; F360-L431 HydrophobicContact CZ-CB 4.03Å; F360-L431 HydrophobicContact CZ-CD2 4.3Å; L367-L431 HydrophobicContact CB-CD2 4.17Å; L367-L431 HydrophobicContact CD2-CD2 3.96Å; L367-L431 HydrophobicContact CG-CD2 3.89Å; L371-L431 HydrophobicContact CD1-CD2 4.08Å; L371-L431 HydrophobicContact CD1-CG 3.87Å; W392-L431 HydrophobicContact CH2-CD1 3.9Å; W392-L431 HydrophobicContact CZ2-CD1 3.65Å; W392-L431 HydrophobicContact CZ2-CD2 4.05Å; W392-L431 HydrophobicContact CZ2-CG 4.41Å; L420-L431 HydrophobicContact CD1-CD1 3.58Å; C425-L431 WeakPolarHBondContact SG-CA 3.39Å; C425-L431 PolarHBondContact SG-N 3.39Å; C425-L431 VanDerWaalsContact SG-N 3.38Å; S427-L431 PolarHBondContact O-N 2.89Å; A428-L431 PolarHBondContact O-N 3.11Å; D429-L431 PolarHBondContact O-N 2.84Å; L431-D433 VanDerWaalsContact C-N 3.33Å; L431-D433 PolarHBondContact O-N 3.47Å; L431-T434 PolarHBondContact O-N 3.41Å; L431-L435 HydrophobicContact CD1-CB 4.4Å; L431-L435 WeakPolarHBondContact O-CB 3.25Å; L431-L435 PolarHBondContact O-N 3.43Å
432	R	92.9	Very high	92.6	Very high	11 Å²	11	15.6 Å²	15.6	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-52.7	-50.7	176.8	-179.5	-165.7	69.2	156.9	1.4	111.6	L346 L349 L371 Y375 A428 D429 I436 E471 L472	L346-R432 HydrophobicContact CD2-CG 4.02Å; L349-R432 HydrophobicContact CD1-CB 4.05Å; L349-R432 HydrophobicContact CD1-CG 4.21Å; L371-R432 HydrophobicContact CD1-CB 4.33Å; L371-R432 HydrophobicContact CD2-CG 4.32Å; Y375-R432 WeakPolarHBondContact OH-CG 3.27Å; Y375-R432 PolarHBondContact OH-O 3.34Å; A428-R432 VanDerWaalsContact O-CB 3.27Å; A428-R432 WeakPolarHBondContact O-CB 3.07Å; A428-R432 PolarHBondContact O-N 3.1Å; D429-R432 WeakPolarHBondContact O-CB 3.45Å; D429-R432 PolarHBondContact O-N 3.01Å; R432-I436 WeakPolarHBondContact O-CG2 3.39Å; R432-E471 PolarHBondContact NH1-O 2.87Å; R432-L472 HydrophobicContact CG-CD2 3.65Å
433	D	92.4	Very high	92.9	Very high	22 Å²	22	13.8 Å²	13.8	12%	0.118	7%	0.07	C	C	.	.	H	α-helix	trans	-75.2	-39.5	-174.5	-65.6	3.3	0	0	0	112.2	D429 L431 I436 H437 P473 H479 Y481	D429-D433 WeakPolarHBondContact O-CB 2.92Å; D429-D433 PolarHBondContact O-N 2.98Å; L431-D433 VanDerWaalsContact C-N 3.33Å; L431-D433 PolarHBondContact O-N 3.47Å; D433-I436 VanDerWaalsContact O-CG2 3.27Å; D433-I436 WeakPolarHBondContact O-CG2 3.22Å; D433-H437 PolarHBondContact O-N 3.26Å; D433-P473 VanDerWaalsContact OD2-CG 3.25Å; D433-P473 WeakPolarHBondContact OD2-CG 3.49Å; D433-H479 PolarHBondContact O-CE1 3.48Å; D433-Y481 WeakPolarHBondContact CB-OH 3.29Å
434	T	94.9	Very high	93.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-72.4	-42.1	179.3	-50.1	0	0	0	0	111.5	A400 L420 R430 L431 I436 H437 E438 Y481	A400-T434 HydrophobicContact CB-CG2 3.69Å; L420-T434 HydrophobicContact CD2-CG2 4.03Å; R430-T434 WeakPolarHBondContact O-CB 3.4Å; R430-T434 PolarHBondContact O-N 3.18Å; R430-T434 PolarHBondContact O-OG1 3.22Å; L431-T434 PolarHBondContact O-N 3.41Å; T434-I436 VanDerWaalsContact C-N 3.34Å; T434-I436 PolarHBondContact O-N 2.85Å; T434-H437 WeakPolarHBondContact O-CB 3.15Å; T434-H437 PolarHBondContact O-N 2.9Å; T434-H437 VanDerWaalsContact O-N 3.14Å; T434-E438 HydrophobicContact CG2-CG 4.38Å; T434-E438 PolarHBondContact O-N 2.95Å; T434-Y481 WeakPolarHBondContact OG1-CE2 3.33Å; T434-Y481 PolarHBondContact OG1-OH 3.3Å
435	L	95.9	Very high	93.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-40.6	-176.8	-179.2	60.5	0	0	0	111.6	T368 L371 Y375 V390 I418 L431 H437 E438 M439	T368-L435 HydrophobicContact CG2-CD2 4.17Å; L371-L435 HydrophobicContact CB-CD2 3.73Å; Y375-L435 HydrophobicContact CD2-CD2 4.45Å; Y375-L435 HydrophobicContact CD2-CG 4.42Å; Y375-L435 HydrophobicContact CE2-CB 4.43Å; Y375-L435 HydrophobicContact CE2-CD2 4.45Å; Y375-L435 HydrophobicContact CE2-CG 4.44Å; V390-L435 HydrophobicContact CG1-CD1 4.07Å; V390-L435 HydrophobicContact CG2-CD1 4.5Å; I418-L435 HydrophobicContact CD1-CD1 4.2Å; I418-L435 HydrophobicContact CG2-CD1 4.5Å; L431-L435 HydrophobicContact CD1-CB 4.4Å; L431-L435 WeakPolarHBondContact O-CB 3.25Å; L431-L435 PolarHBondContact O-N 3.43Å; L435-H437 VanDerWaalsContact C-N 3.33Å; L435-H437 PolarHBondContact O-N 2.85Å; L435-E438 PolarHBondContact O-N 3.5Å; L435-M439 HydrophobicContact CD1-CG 4.21Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CG-CG 4.41Å; L435-M439 HydrophobicContact CG-SD 3.93Å; L435-M439 WeakPolarHBondContact O-CB 3.18Å; L435-M439 VanDerWaalsContact O-CG 3.22Å; L435-M439 WeakPolarHBondContact O-CG 3.42Å; L435-M439 PolarHBondContact O-N 3.49Å
436	I	95.8	Very high	93.9	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-67.5	-33	176.4	-169.6	57.3	0	0	0	112.2	Y375 V379 F380 R432 D433 T434 C440 S465 L472 V475	Y375-I436 HydrophobicContact CD1-CD1 4.1Å; Y375-I436 HydrophobicContact CD2-CB 4.15Å; Y375-I436 HydrophobicContact CD2-CD1 4.1Å; Y375-I436 HydrophobicContact CE1-CB 4.47Å; Y375-I436 HydrophobicContact CE2-CB 3.78Å; Y375-I436 HydrophobicContact CG-CD1 3.86Å; V379-I436 HydrophobicContact CG1-CD1 4.4Å; V379-I436 HydrophobicContact CG2-CD1 4.32Å; F380-I436 HydrophobicContact CE2-CD1 3.65Å; F380-I436 HydrophobicContact CZ-CD1 3.85Å; R432-I436 WeakPolarHBondContact O-CG2 3.39Å; D433-I436 VanDerWaalsContact O-CG2 3.27Å; D433-I436 WeakPolarHBondContact O-CG2 3.22Å; T434-I436 VanDerWaalsContact C-N 3.34Å; T434-I436 PolarHBondContact O-N 2.85Å; I436-C440 PolarHBondContact O-N 3.5Å; I436-C440 PolarHBondContact O-SG 3.22Å; I436-S465 WeakPolarHBondContact CD1-OG 3.31Å; I436-S465 WeakPolarHBondContact CG1-OG 3.25Å; I436-L472 HydrophobicContact CG1-CD1 4.36Å; I436-L472 HydrophobicContact CG2-CD1 4.35Å; I436-V475 HydrophobicContact CG1-CG2 4.37Å; I436-V475 HydrophobicContact CG2-CG2 3.85Å
437	H	95.8	Very high	94.2	Very high	7 Å²	7	13 Å²	13	3%	0.032	7%	0.068	C	C	.	.	H	α-helix	trans	-61.1	-50.6	172.7	-174.2	107	0	0	0	111.6	D433 T434 L435 C440 H441 H454 W458 V475 T476 R477 H479	D433-H437 PolarHBondContact O-N 3.26Å; T434-H437 WeakPolarHBondContact O-CB 3.15Å; T434-H437 PolarHBondContact O-N 2.9Å; T434-H437 VanDerWaalsContact O-N 3.14Å; L435-H437 VanDerWaalsContact C-N 3.33Å; L435-H437 PolarHBondContact O-N 2.85Å; H437-C440 WeakPolarHBondContact O-CB 3.48Å; H437-C440 PolarHBondContact O-N 3.3Å; H437-H441 AromaticContact CD2-CD2 3.6Å; H437-H441 AromaticContact CD2-NE2 2.77Å; H437-H441 PolarHBondContact CD2-NE2 3.25Å; H437-H441 AromaticContact CE1-NE2 3.25Å; H437-H441 PolarHBondContact CE1-NE2 2.79Å; H437-H441 AromaticContact CG-NE2 3.96Å; H437-H441 AromaticContact NE2-CD2 3.7Å; H437-H441 AromaticContact NE2-NE2 2.1Å; H437-H441 PolarHBondContact NE2-NE2 2.9Å; H437-H441 PolarHBondContact O-CD2 2.75Å; H437-H441 PolarHBondContact O-N 3Å; H437-H454 AromaticContact CE1-CD2 3.81Å; H437-H454 AromaticContact CE1-NE2 3.31Å; H437-H454 PolarHBondContact CE1-NE2 3.33Å; H437-H454 VanDerWaalsContact CE1-NE2 3.31Å; H437-H454 AromaticContact NE2-CD2 3.88Å; H437-H454 AromaticContact NE2-NE2 3.19Å; H437-H454 PolarHBondContact NE2-NE2 2.73Å; H437-H454 VanDerWaalsContact NE2-NE2 3.19Å; H437-W458 AromaticContact CE1-CZ2 3.45Å; H437-W458 VanDerWaalsContact CE1-CZ2 3.45Å; H437-W458 WeakPolarHBondContact CE1-CZ2 3.46Å; H437-W458 AromaticContact ND1-CZ2 3.48Å; H437-W458 WeakPolarHBondContact ND1-CZ2 3.31Å; H437-V475 HydrophobicContact CB-CG1 4.31Å; H437-T476 PolarHBondContact CE1-O 3.5Å; H437-T476 PolarHBondContact ND1-O 3.36Å; H437-R477 PolarHBondContact CE1-O 3.44Å; H437-H479 VanDerWaalsContact CB-NE2 3.32Å; H437-H479 WeakPolarHBondContact CB-NE2 3.16Å; H437-H479 AromaticContact CG-NE2 3.56Å; H437-H479 AromaticContact ND1-NE2 3.57Å
438	E	96.6	Very high	94.5	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.075	C	C	.	.	H	α-helix	trans	-70	-32	-180	-55.1	-51.9	160.5	0	0	112.7	Y402 C403 I418 T434 L435 C440 H441 A442	Y402-E438 VanDerWaalsContact C-OE2 3.27Å; Y402-E438 WeakPolarHBondContact CA-OE2 3.42Å; C403-E438 HydrophobicContact CB-CB 4.41Å; C403-E438 PolarHBondContact N-OE2 3.13Å; I418-E438 HydrophobicContact CB-CB 4.41Å; I418-E438 HydrophobicContact CD1-CB 3.87Å; I418-E438 HydrophobicContact CG1-CB 3.95Å; I418-E438 HydrophobicContact CG2-CB 3.62Å; I418-E438 HydrophobicContact CG2-CG 3.94Å; T434-E438 HydrophobicContact CG2-CG 4.38Å; T434-E438 PolarHBondContact O-N 2.95Å; L435-E438 PolarHBondContact O-N 3.5Å; E438-C440 VanDerWaalsContact C-N 3.31Å; E438-C440 PolarHBondContact O-N 2.88Å; E438-H441 PolarHBondContact O-N 2.87Å; E438-H441 IonicContact OE2-CD2 2.68Å; E438-A442 PolarHBondContact O-N 3.1Å
439	M	96.8	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-30.6	171.6	-72.3	177.3	72.9	0	0	112.6	Y372 Y375 N376 F380 L384 I418 L435 A442 A443	Y372-M439 HydrophobicContact CD2-CE 3.5Å; Y372-M439 VanDerWaalsContact CD2-CE 3.5Å; Y372-M439 HydrophobicContact CD2-CG 4.19Å; Y372-M439 HydrophobicContact CD2-SD 3.49Å; Y372-M439 WeakPolarHBondContact CD2-SD 3.45Å; Y372-M439 HydrophobicContact CE2-CE 3.43Å; Y372-M439 VanDerWaalsContact CE2-CE 3.43Å; Y372-M439 HydrophobicContact CE2-CG 4.17Å; Y372-M439 HydrophobicContact CE2-SD 3.88Å; Y372-M439 HydrophobicContact CG-CE 4.35Å; Y372-M439 HydrophobicContact CG-SD 4.47Å; Y375-M439 HydrophobicContact CD2-SD 3.8Å; Y375-M439 HydrophobicContact CG-SD 4.33Å; N376-M439 HydrophobicContact CB-CE 4.32Å; F380-M439 HydrophobicContact CD2-CE 3.8Å; F380-M439 HydrophobicContact CE2-CB 3.67Å; F380-M439 HydrophobicContact CE2-CE 3.8Å; F380-M439 HydrophobicContact CZ-CB 3.87Å; L384-M439 HydrophobicContact CD1-CB 4.35Å; L384-M439 HydrophobicContact CD1-CE 3.63Å; I418-M439 HydrophobicContact CD1-CG 3.74Å; L435-M439 HydrophobicContact CD1-CG 4.21Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CG-CG 4.41Å; L435-M439 HydrophobicContact CG-SD 3.93Å; L435-M439 WeakPolarHBondContact O-CB 3.18Å; L435-M439 VanDerWaalsContact O-CG 3.22Å; L435-M439 WeakPolarHBondContact O-CG 3.42Å; L435-M439 PolarHBondContact O-N 3.49Å; M439-A442 PolarHBondContact O-N 2.95Å; M439-A443 VanDerWaalsContact O-CB 3.3Å; M439-A443 WeakPolarHBondContact O-CB 3.34Å; M439-A443 PolarHBondContact O-N 2.96Å
440	C	96	Very high	94.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65	-37.3	171.9	-68.9	0	0	0	0	112	I436 H437 E438 A443 T444 W458	I436-C440 PolarHBondContact O-N 3.5Å; I436-C440 PolarHBondContact O-SG 3.22Å; H437-C440 WeakPolarHBondContact O-CB 3.48Å; H437-C440 PolarHBondContact O-N 3.3Å; E438-C440 VanDerWaalsContact C-N 3.31Å; E438-C440 PolarHBondContact O-N 2.88Å; C440-A443 PolarHBondContact O-N 2.99Å; C440-T444 PolarHBondContact O-N 3.09Å; C440-W458 HydrophobicContact CB-CG 4.34Å
441	H	96.1	Very high	94.3	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-69.6	-37.4	172.1	-68	-61.4	0	0	0	112.8	C403 H437 E438 A443 T444 G453 H454 W458	C403-H441 HydrophobicContact CB-CB 3.63Å; H437-H441 AromaticContact CD2-CD2 3.6Å; H437-H441 AromaticContact CD2-NE2 2.77Å; H437-H441 PolarHBondContact CD2-NE2 3.25Å; H437-H441 AromaticContact CE1-NE2 3.25Å; H437-H441 PolarHBondContact CE1-NE2 2.79Å; H437-H441 AromaticContact CG-NE2 3.96Å; H437-H441 AromaticContact NE2-CD2 3.7Å; H437-H441 AromaticContact NE2-NE2 2.1Å; H437-H441 PolarHBondContact NE2-NE2 2.9Å; H437-H441 PolarHBondContact O-CD2 2.75Å; H437-H441 PolarHBondContact O-N 3Å; E438-H441 PolarHBondContact O-N 2.87Å; E438-H441 IonicContact OE2-CD2 2.68Å; H441-A443 VanDerWaalsContact C-N 3.29Å; H441-A443 PolarHBondContact O-N 3.02Å; H441-T444 PolarHBondContact O-OG1 3.31Å; H441-G453 PolarHBondContact CE1-O 3.16Å; H441-H454 AromaticContact CE1-CD2 2.81Å; H441-H454 PolarHBondContact CE1-CD2 2.89Å; H441-H454 AromaticContact CE1-CE1 3.71Å; H441-H454 AromaticContact CE1-CG 3.55Å; H441-H454 PolarHBondContact CE1-N 3.21Å; H441-H454 AromaticContact CE1-NE2 2.95Å; H441-H454 PolarHBondContact CE1-NE2 3.11Å; H441-H454 AromaticContact NE2-CD2 3.53Å; H441-H454 AromaticContact NE2-NE2 2.93Å; H441-H454 PolarHBondContact NE2-NE2 3.38Å; H441-W458 AromaticContact CD2-NE1 3.79Å; H441-W458 AromaticContact CE1-CD1 3.66Å; H441-W458 AromaticContact CE1-NE1 3.69Å; H441-W458 AromaticContact CG-CD1 3.84Å; H441-W458 AromaticContact CG-NE1 3.83Å; H441-W458 AromaticContact ND1-CD1 3.32Å; H441-W458 VanDerWaalsContact ND1-CD1 3.32Å; H441-W458 AromaticContact ND1-NE1 3.6Å; H441-W458 AromaticContact NE2-NE1 3.84Å
442	A	96.4	Very high	93.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-38.3	172.7	0	0	0	0	0	111.4	L384 M388 A416 E438 M439 W445 L446	L384-A442 HydrophobicContact CD2-CB 4.44Å; M388-A442 HydrophobicContact CE-CB 3.7Å; M388-A442 HydrophobicContact SD-CB 3.92Å; A416-A442 HydrophobicContact CB-CB 3.98Å; E438-A442 PolarHBondContact O-N 3.1Å; M439-A442 PolarHBondContact O-N 2.95Å; A442-W445 PolarHBondContact O-N 2.91Å; A442-L446 VanDerWaalsContact O-CB 3.3Å; A442-L446 WeakPolarHBondContact O-CB 3.42Å; A442-L446 WeakPolarHBondContact O-CG 3.38Å; A442-L446 PolarHBondContact O-N 3.36Å
443	A	96.3	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.7	-43.3	-178.8	0	0	0	0	0	114	F380 L384 M439 C440 H441 W445 I447 Y461	F380-A443 HydrophobicContact CD1-CB 3.47Å; F380-A443 VanDerWaalsContact CD1-CB 3.47Å; F380-A443 HydrophobicContact CE1-CB 3.38Å; F380-A443 HydrophobicContact CZ-CB 4.4Å; L384-A443 HydrophobicContact CD2-CB 4.18Å; M439-A443 VanDerWaalsContact O-CB 3.3Å; M439-A443 WeakPolarHBondContact O-CB 3.34Å; M439-A443 PolarHBondContact O-N 2.96Å; C440-A443 PolarHBondContact O-N 2.99Å; H441-A443 VanDerWaalsContact C-N 3.29Å; H441-A443 PolarHBondContact O-N 3.02Å; A443-W445 PolarHBondContact O-N 3.36Å; A443-I447 HydrophobicContact CB-CD1 3.91Å; A443-I447 HydrophobicContact CB-CG1 4.47Å; A443-I447 WeakPolarHBondContact O-CA 2.99Å; A443-I447 VanDerWaalsContact O-CB 3.26Å; A443-I447 WeakPolarHBondContact O-CB 3.46Å; A443-I447 PolarHBondContact O-N 3.44Å; A443-Y461 HydrophobicContact CB-CD1 4.38Å; A443-Y461 HydrophobicContact CB-CD2 3.78Å; A443-Y461 HydrophobicContact CB-CE1 4.31Å; A443-Y461 HydrophobicContact CB-CE2 3.71Å; A443-Y461 HydrophobicContact CB-CG 4.15Å
444	T	96.1	Very high	93.4	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-39.3	176.2	51.5	0	0	0	0	111.8	C440 H441 N448 G449 V450 L457 W458 Y461	C440-T444 PolarHBondContact O-N 3.09Å; H441-T444 PolarHBondContact O-OG1 3.31Å; T444-N448 CarbonylContact O-C 3.42Å; T444-N448 WeakPolarHBondContact O-CB 3.49Å; T444-N448 PolarHBondContact O-N 3.4Å; T444-G449 PolarHBondContact O-N 2.94Å; T444-G449 VanDerWaalsContact O-N 3.16Å; T444-V450 CarbonylContact C-O 3.28Å; T444-V450 VanDerWaalsContact C-O 3.28Å; T444-V450 PolarHBondContact O-N 3.33Å; T444-L457 HydrophobicContact CG2-CB 3.74Å; T444-W458 HydrophobicContact CG2-CB 3.94Å; T444-W458 VanDerWaalsContact CG2-N 3.34Å; T444-Y461 HydrophobicContact CG2-CD2 4.2Å; T444-Y461 HydrophobicContact CG2-CE2 4.42Å
445	W	95.6	Very high	93.2	Very high	18 Å²	18	26 Å²	26	7%	0.068	14%	0.141	C	C	.	.	H	α-helix	trans	-77.4	-51.3	177.6	179.5	-128.5	0	0	0	113.8	T405 G406 Q407 R414 Y415 A442 A443 G449 V450 R451	T405-W445 VanDerWaalsContact CB-CD1 3.48Å; T405-W445 HydrophobicContact CG2-CB 3.7Å; T405-W445 HydrophobicContact CG2-CG 3.86Å; G406-W445 PolarHBondContact O-NE1 3.39Å; Q407-W445 HydrophobicContact CB-CZ2 4.18Å; R414-W445 HydrophobicContact CB-CZ2 4.13Å; R414-W445 WeakPolarHBondContact CD-O 3.32Å; R414-W445 HydrophobicContact CG-CD2 4.42Å; R414-W445 HydrophobicContact CG-CH2 4.02Å; R414-W445 HydrophobicContact CG-CZ2 3.57Å; Y415-W445 VanDerWaalsContact O-CD1 3.31Å; Y415-W445 PolarHBondContact O-NE1 3.06Å; A442-W445 PolarHBondContact O-N 2.91Å; A443-W445 PolarHBondContact O-N 3.36Å; W445-G449 WeakPolarHBondContact CZ3-O 3.36Å; W445-G449 WeakPolarHBondContact O-CA 3.5Å; W445-G449 PolarHBondContact O-N 3.08Å; W445-V450 PolarHBondContact N-O 3.33Å; W445-R451 HydrophobicContact CD2-CG 3.7Å; W445-R451 HydrophobicContact CE3-CG 3.23Å; W445-R451 HydrophobicContact CG-CG 4.36Å; W445-R451 HydrophobicContact CH2-CG 4.18Å; W445-R451 HydrophobicContact CZ3-CG 3.52Å
446	L	95	Very high	93.2	Very high	33 Å²	33	31.5 Å²	31.5	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-74.5	-40.8	-173.6	-65.1	-175.9	0	0	0	112.7	L384 P385 M388 R414 A416 A442	L384-L446 HydrophobicContact CD2-CB 4.35Å; L384-L446 HydrophobicContact CD2-CD1 4.2Å; P385-L446 HydrophobicContact CG-CD1 4.15Å; M388-L446 HydrophobicContact SD-CD1 3.88Å; R414-L446 HydrophobicContact CB-CD2 3.85Å; R414-L446 WeakPolarHBondContact O-CD2 3.01Å; A416-L446 HydrophobicContact CB-CD1 3.98Å; A416-L446 HydrophobicContact CB-CD2 4.35Å; A416-L446 HydrophobicContact CB-CG 4.09Å; A442-L446 VanDerWaalsContact O-CB 3.3Å; A442-L446 WeakPolarHBondContact O-CB 3.42Å; A442-L446 WeakPolarHBondContact O-CG 3.38Å; A442-L446 PolarHBondContact O-N 3.36Å
447	I	94.6	Very high	93.1	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.246	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-41.7	-174.8	-50.1	176	0	0	0	111.3	F380 K383 L384 A443 Y461	F380-I447 HydrophobicContact CB-CD1 4.3Å; F380-I447 HydrophobicContact CD1-CD1 4.31Å; K383-I447 HydrophobicContact CB-CD1 3.75Å; K383-I447 HydrophobicContact CB-CG1 3.93Å; K383-I447 HydrophobicContact CD-CD1 4.47Å; K383-I447 HydrophobicContact CD-CG2 4.07Å; L384-I447 HydrophobicContact CD2-CD1 4.16Å; L384-I447 HydrophobicContact CD2-CG1 4.24Å; A443-I447 HydrophobicContact CB-CD1 3.91Å; A443-I447 HydrophobicContact CB-CG1 4.47Å; A443-I447 WeakPolarHBondContact O-CA 2.99Å; A443-I447 VanDerWaalsContact O-CB 3.26Å; A443-I447 WeakPolarHBondContact O-CB 3.46Å; A443-I447 PolarHBondContact O-N 3.44Å; I447-Y461 HydrophobicContact CD1-CE1 4.41Å
448	N	94.1	Very high	93.1	Very high	60 Å²	60	34.1 Å²	34.1	32%	0.321	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-14.8	-177.3	-45.7	127	0	0	0	114.3	T444 V450 L457 Y461	T444-N448 CarbonylContact O-C 3.42Å; T444-N448 WeakPolarHBondContact O-CB 3.49Å; T444-N448 PolarHBondContact O-N 3.4Å; N448-V450 VanDerWaalsContact C-N 3.27Å; N448-V450 HydrophobicContact CB-CG2 4.28Å; N448-V450 PolarHBondContact O-N 2.64Å; N448-L457 HydrophobicContact CB-CD1 3.76Å; N448-Y461 WeakPolarHBondContact OD1-CE2 3.5Å; N448-Y461 PolarHBondContact OD1-OH 3.49Å
449	G	92.5	Very high	93	Very high	18 Å²	18	37.3 Å²	37.3	19%	0.186	20%	0.196	C	C	.	.			trans	72.3	16.8	-175.1	0	0	0	0	0	114.9	R414 T444 W445	R414-G449 VanDerWaalsContact NH1-CA 3.31Å; T444-G449 PolarHBondContact O-N 2.94Å; T444-G449 VanDerWaalsContact O-N 3.16Å; W445-G449 WeakPolarHBondContact CZ3-O 3.36Å; W445-G449 WeakPolarHBondContact O-CA 3.5Å; W445-G449 PolarHBondContact O-N 3.08Å
450	V	90.6	Very high	92.8	Very high	56 Å²	56	39.4 Å²	39.4	34%	0.339	21%	0.206	S	C	.	.			trans	-106.6	124.7	-175.8	177.8	0	0	0	0	110.1	T444 W445 N448 D452 L457	T444-V450 CarbonylContact C-O 3.28Å; T444-V450 VanDerWaalsContact C-O 3.28Å; T444-V450 PolarHBondContact O-N 3.33Å; W445-V450 PolarHBondContact N-O 3.33Å; N448-V450 VanDerWaalsContact C-N 3.27Å; N448-V450 HydrophobicContact CB-CG2 4.28Å; N448-V450 PolarHBondContact O-N 2.64Å; V450-D452 HydrophobicContact CG1-CB 3.87Å; V450-L457 HydrophobicContact CB-CD1 3.77Å; V450-L457 HydrophobicContact CG1-CD1 4.13Å; V450-L457 HydrophobicContact CG2-CD1 3.61Å
451	R	83.4	Confident	92.8	Very high	120 Å²	120	40.3 Å²	40.3	45%	0.453	21%	0.21	S	C	.	.			trans	-99.4	91.1	171.8	-63.8	-176.1	55	-129	-26.7	108.8	F169 T405 W445	F169-R451 VanDerWaalsContact CD1-NH2 3.34Å; F169-R451 VanDerWaalsContact CE2-NH1 3.26Å; T405-R451 PolarHBondContact OG1-NE 3.36Å; W445-R451 HydrophobicContact CD2-CG 3.7Å; W445-R451 HydrophobicContact CE3-CG 3.23Å; W445-R451 HydrophobicContact CG-CG 4.36Å; W445-R451 HydrophobicContact CH2-CG 4.18Å; W445-R451 HydrophobicContact CZ3-CG 3.52Å
452	D	81.3	Confident	92.7	Very high	91 Å²	91	40.3 Å²	40.3	49%	0.487	21%	0.211	S	C	.	.			trans	-134	154.4	176	-172.3	-6.6	0	0	0	106.4	V450 G455	V450-D452 HydrophobicContact CG1-CB 3.87Å; D452-G455 VanDerWaalsContact OD2-CA 3.3Å; D452-G455 WeakPolarHBondContact OD2-CA 3.49Å
453	G	86.1	Confident	92.5	Very high	28 Å²	28	43 Å²	43	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	-78	-118.7	175.8	0	0	0	0	0	110.2	H441 G455 W458	H441-G453 PolarHBondContact CE1-O 3.16Å; G453-G455 PolarHBondContact O-N 3.26Å; G453-W458 VanDerWaalsContact O-CB 3.25Å; G453-W458 WeakPolarHBondContact O-CB 3.47Å
454	H	91.3	Very high	92.4	Very high	36 Å²	36	43.8 Å²	43.8	17%	0.167	23%	0.225	C	C	.	.	S	Bend	trans	-82.3	41.6	178.2	-47.8	114.6	0	0	0	114	H437 H441 W458 R477	H437-H454 AromaticContact CE1-CD2 3.81Å; H437-H454 AromaticContact CE1-NE2 3.31Å; H437-H454 PolarHBondContact CE1-NE2 3.33Å; H437-H454 VanDerWaalsContact CE1-NE2 3.31Å; H437-H454 AromaticContact NE2-CD2 3.88Å; H437-H454 AromaticContact NE2-NE2 3.19Å; H437-H454 PolarHBondContact NE2-NE2 2.73Å; H437-H454 VanDerWaalsContact NE2-NE2 3.19Å; H441-H454 AromaticContact CE1-CD2 2.81Å; H441-H454 PolarHBondContact CE1-CD2 2.89Å; H441-H454 AromaticContact CE1-CE1 3.71Å; H441-H454 AromaticContact CE1-CG 3.55Å; H441-H454 PolarHBondContact CE1-N 3.21Å; H441-H454 AromaticContact CE1-NE2 2.95Å; H441-H454 PolarHBondContact CE1-NE2 3.11Å; H441-H454 AromaticContact NE2-CD2 3.53Å; H441-H454 AromaticContact NE2-NE2 2.93Å; H441-H454 PolarHBondContact NE2-NE2 3.38Å; H454-W458 HydrophobicContact CB-CD2 4.2Å; H454-W458 HydrophobicContact CB-CE3 3.87Å; H454-W458 HydrophobicContact CB-CZ3 4.31Å; H454-W458 AromaticContact CD2-CD2 3.75Å; H454-W458 AromaticContact CD2-CE2 3.59Å; H454-W458 AromaticContact CD2-CZ2 3.81Å; H454-W458 AromaticContact CD2-NE1 3.95Å; H454-R477 HydrophobicContact CB-CB 4.35Å; H454-R477 HydrophobicContact CB-CG 3.59Å; H454-R477 PolarHBondContact CE1-O 2.85Å; H454-R477 PolarHBondContact NE2-O 3.25Å; H454-R477 VanDerWaalsContact NE2-O 3.09Å
455	G	91.8	Very high	92.2	Very high	9 Å²	9	43.6 Å²	43.6	9%	0.093	22%	0.223	C	C	.	.			trans	-67.3	-170	179.5	0	0	0	0	0	114.6	D452 G453 L457 W458 R459	D452-G455 VanDerWaalsContact OD2-CA 3.3Å; D452-G455 WeakPolarHBondContact OD2-CA 3.49Å; G453-G455 PolarHBondContact O-N 3.26Å; G455-L457 PolarHBondContact O-N 3.46Å; G455-W458 PolarHBondContact O-N 3.46Å; G455-R459 WeakPolarHBondContact O-CB 3.47Å; G455-R459 PolarHBondContact O-N 2.86Å
456	N	93.9	Very high	92	Very high	116 Å²	116	44.8 Å²	44.8	62%	0.62	23%	0.232	S	C	*	.	H	α-helix	trans	-68.6	-37.1	-174.1	-70.3	-8.2	0	0	0	112.7	R459 L460	N456-R459 PolarHBondContact O-N 3.48Å; N456-R459 PolarHBondContact OD1-NH1 3.47Å; N456-R459 PolarHBondContact OD1-NH2 3.46Å; N456-R459 VanDerWaalsContact OD1-NH2 3.07Å; N456-L460 WeakPolarHBondContact O-CB 3.29Å; N456-L460 PolarHBondContact O-N 2.77Å
457	L	94.6	Very high	91.7	Very high	55 Å²	55	47.7 Å²	47.7	29%	0.288	25%	0.248	S	C	.	.	H	α-helix	trans	-69.7	-38.4	175.1	-67.3	168.6	0	0	0	112	T444 N448 V450 G455 R459 L460 Y461	T444-L457 HydrophobicContact CG2-CB 3.74Å; N448-L457 HydrophobicContact CB-CD1 3.76Å; V450-L457 HydrophobicContact CB-CD1 3.77Å; V450-L457 HydrophobicContact CG1-CD1 4.13Å; V450-L457 HydrophobicContact CG2-CD1 3.61Å; G455-L457 PolarHBondContact O-N 3.46Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 2.9Å; L457-L460 HydrophobicContact CD2-CD2 4.41Å; L457-L460 WeakPolarHBondContact O-CB 3.4Å; L457-L460 PolarHBondContact O-N 3.46Å; L457-Y461 WeakPolarHBondContact O-CD2 3.31Å; L457-Y461 PolarHBondContact O-N 3.24Å; L457-Y461 VanDerWaalsContact O-N 3.16Å
458	W	95.4	Very high	91.5	Very high	8 Å²	8	48.3 Å²	48.3	3%	0.03	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-43.1	173.2	-176.6	96.8	0	0	0	110.7	H437 C440 H441 T444 G453 H454 G455 L460 Y461 A462 V475 T476	H437-W458 AromaticContact CE1-CZ2 3.45Å; H437-W458 VanDerWaalsContact CE1-CZ2 3.45Å; H437-W458 WeakPolarHBondContact CE1-CZ2 3.46Å; H437-W458 AromaticContact ND1-CZ2 3.48Å; H437-W458 WeakPolarHBondContact ND1-CZ2 3.31Å; C440-W458 HydrophobicContact CB-CG 4.34Å; H441-W458 AromaticContact CD2-NE1 3.79Å; H441-W458 AromaticContact CE1-CD1 3.66Å; H441-W458 AromaticContact CE1-NE1 3.69Å; H441-W458 AromaticContact CG-CD1 3.84Å; H441-W458 AromaticContact CG-NE1 3.83Å; H441-W458 AromaticContact ND1-CD1 3.32Å; H441-W458 VanDerWaalsContact ND1-CD1 3.32Å; H441-W458 AromaticContact ND1-NE1 3.6Å; H441-W458 AromaticContact NE2-NE1 3.84Å; T444-W458 HydrophobicContact CG2-CB 3.94Å; T444-W458 VanDerWaalsContact CG2-N 3.34Å; G453-W458 VanDerWaalsContact O-CB 3.25Å; G453-W458 WeakPolarHBondContact O-CB 3.47Å; H454-W458 HydrophobicContact CB-CD2 4.2Å; H454-W458 HydrophobicContact CB-CE3 3.87Å; H454-W458 HydrophobicContact CB-CZ3 4.31Å; H454-W458 AromaticContact CD2-CD2 3.75Å; H454-W458 AromaticContact CD2-CE2 3.59Å; H454-W458 AromaticContact CD2-CZ2 3.81Å; H454-W458 AromaticContact CD2-NE1 3.95Å; G455-W458 PolarHBondContact O-N 3.46Å; W458-L460 VanDerWaalsContact C-N 3.34Å; W458-L460 PolarHBondContact O-N 2.86Å; W458-Y461 PolarHBondContact O-N 3.31Å; W458-A462 HydrophobicContact CE3-CB 4.09Å; W458-A462 HydrophobicContact CH2-CB 3.84Å; W458-A462 HydrophobicContact CZ2-CB 4.38Å; W458-A462 HydrophobicContact CZ3-CB 3.69Å; W458-A462 WeakPolarHBondContact O-CB 3.46Å; W458-A462 PolarHBondContact O-N 2.94Å; W458-V475 HydrophobicContact CH2-CG1 3.96Å; W458-V475 WeakPolarHBondContact CH2-O 3.3Å; W458-V475 HydrophobicContact CZ2-CG1 3.9Å; W458-T476 WeakPolarHBondContact CH2-O 3.3Å
459	R	94.1	Very high	91.3	Very high	78 Å²	78	45.4 Å²	45.4	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-34.7	177.3	-161.9	179.7	-47.3	130.4	28	112.9	G455 N456 L457 A462 R463	G455-R459 WeakPolarHBondContact O-CB 3.47Å; G455-R459 PolarHBondContact O-N 2.86Å; N456-R459 PolarHBondContact O-N 3.48Å; N456-R459 PolarHBondContact OD1-NH1 3.47Å; N456-R459 PolarHBondContact OD1-NH2 3.46Å; N456-R459 VanDerWaalsContact OD1-NH2 3.07Å; L457-R459 VanDerWaalsContact C-N 3.33Å; L457-R459 PolarHBondContact O-N 2.9Å; R459-A462 PolarHBondContact O-N 3.45Å; R459-R463 WeakPolarHBondContact O-CB 3.37Å; R459-R463 WeakPolarHBondContact O-CG 3.47Å; R459-R463 PolarHBondContact O-N 3.49Å
460	L	94.3	Very high	91	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.225	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-49.8	170.9	168.1	65.6	0	0	0	111	F54 L58 N456 L457 W458 R463 K464	F54-L460 HydrophobicContact CZ-CB 4.18Å; F54-L460 HydrophobicContact CZ-CD1 3.81Å; L58-L460 HydrophobicContact CD2-CD1 3.66Å; N456-L460 WeakPolarHBondContact O-CB 3.29Å; N456-L460 PolarHBondContact O-N 2.77Å; L457-L460 HydrophobicContact CD2-CD2 4.41Å; L457-L460 WeakPolarHBondContact O-CB 3.4Å; L457-L460 PolarHBondContact O-N 3.46Å; W458-L460 VanDerWaalsContact C-N 3.34Å; W458-L460 PolarHBondContact O-N 2.86Å; L460-R463 PolarHBondContact O-N 3.37Å; L460-K464 WeakPolarHBondContact O-CB 3.39Å; L460-K464 PolarHBondContact O-N 2.76Å
461	Y	95.1	Very high	90.7	Very high	19 Å²	19	46 Å²	46	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-37.9	177.3	-69.6	-61.6	0	0	0	112.8	F380 A443 T444 I447 N448 L457 W458 K464 S465	F380-Y461 AromaticContact CD1-CD1 3.78Å; F380-Y461 HydrophobicContact CD1-CD1 3.78Å; F380-Y461 HydrophobicContact CD1-CE1 4.01Å; F380-Y461 HydrophobicContact CD1-CG 4.4Å; F380-Y461 AromaticContact CE1-CD1 3.65Å; F380-Y461 HydrophobicContact CE1-CD1 3.65Å; F380-Y461 HydrophobicContact CE1-CE1 4.3Å; F380-Y461 AromaticContact CE1-CG 3.87Å; F380-Y461 HydrophobicContact CE1-CG 3.87Å; A443-Y461 HydrophobicContact CB-CD1 4.38Å; A443-Y461 HydrophobicContact CB-CD2 3.78Å; A443-Y461 HydrophobicContact CB-CE1 4.31Å; A443-Y461 HydrophobicContact CB-CE2 3.71Å; A443-Y461 HydrophobicContact CB-CG 4.15Å; T444-Y461 HydrophobicContact CG2-CD2 4.2Å; T444-Y461 HydrophobicContact CG2-CE2 4.42Å; I447-Y461 HydrophobicContact CD1-CE1 4.41Å; N448-Y461 WeakPolarHBondContact OD1-CE2 3.5Å; N448-Y461 PolarHBondContact OD1-OH 3.49Å; L457-Y461 WeakPolarHBondContact O-CD2 3.31Å; L457-Y461 PolarHBondContact O-N 3.24Å; L457-Y461 VanDerWaalsContact O-N 3.16Å; W458-Y461 PolarHBondContact O-N 3.31Å; Y461-K464 PolarHBondContact O-N 3Å; Y461-S465 WeakPolarHBondContact O-CB 3.4Å; Y461-S465 PolarHBondContact O-N 3.06Å; Y461-S465 PolarHBondContact O-OG 3.39Å
462	A	93.9	Very high	90.8	Very high	6 Å²	6	40.6 Å²	40.6	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-47.1	173.6	0	0	0	0	0	112	W458 R459 S465 T466 V475	W458-A462 HydrophobicContact CE3-CB 4.09Å; W458-A462 HydrophobicContact CH2-CB 3.84Å; W458-A462 HydrophobicContact CZ2-CB 4.38Å; W458-A462 HydrophobicContact CZ3-CB 3.69Å; W458-A462 WeakPolarHBondContact O-CB 3.46Å; W458-A462 PolarHBondContact O-N 2.94Å; R459-A462 PolarHBondContact O-N 3.45Å; A462-S465 WeakPolarHBondContact O-CB 3.44Å; A462-S465 PolarHBondContact O-N 3.01Å; A462-T466 PolarHBondContact O-N 2.6Å; A462-V475 HydrophobicContact CB-CB 3.94Å; A462-V475 HydrophobicContact CB-CG1 4.2Å
463	R	92.3	Very high	90.9	Very high	58 Å²	58	39.3 Å²	39.3	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-43.3	174.1	-72.7	-169.5	-175	163	10.8	112.1	D51 D55 L58 R459 L460 S465 T466 L467	D51-R463 VanDerWaalsContact CG-NH2 3.31Å; D51-R463 IonicContact OD1-CZ 2.77Å; D51-R463 IonicContact OD1-NH1 3.98Å; D51-R463 PolarHBondContact OD1-NH1 3.1Å; D51-R463 IonicContact OD1-NH2 3.6Å; D51-R463 PolarHBondContact OD1-NH2 2.86Å; D51-R463 IonicContact OD2-NH2 3.61Å; D55-R463 WeakPolarHBondContact OD1-CD 3.37Å; D55-R463 IonicContact OD1-CZ 3.63Å; D55-R463 IonicContact OD1-NE 2.7Å; D55-R463 IonicContact OD1-NH1 3.15Å; D55-R463 PolarHBondContact OD1-NH1 3.5Å; D55-R463 IonicContact OD2-CZ 2.65Å; D55-R463 IonicContact OD2-NH1 2.8Å; L58-R463 HydrophobicContact CD1-CB 4.16Å; R459-R463 WeakPolarHBondContact O-CB 3.37Å; R459-R463 WeakPolarHBondContact O-CG 3.47Å; R459-R463 PolarHBondContact O-N 3.49Å; L460-R463 PolarHBondContact O-N 3.37Å; R463-S465 VanDerWaalsContact C-N 3.25Å; R463-S465 PolarHBondContact O-N 3.32Å; R463-T466 PolarHBondContact O-N 3.48Å; R463-L467 WeakPolarHBondContact O-CB 3.25Å; R463-L467 VanDerWaalsContact O-CG 3.31Å; R463-L467 WeakPolarHBondContact O-CG 3.34Å; R463-L467 PolarHBondContact O-N 2.82Å
464	K	93.6	Very high	90.8	Very high	16 Å²	16	44.6 Å²	44.6	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-37.8	175.8	-169.9	-179.8	177	-163.5	0	111.6	V379 D381 L460 Y461 L467 M468	V379-K464 HydrophobicContact CG1-CG 4.48Å; V379-K464 WeakPolarHBondContact O-CD 3.2Å; V379-K464 WeakPolarHBondContact O-CE 3.43Å; V379-K464 PolarHBondContact O-NZ 2.9Å; D381-K464 VanDerWaalsContact CG-NZ 3.25Å; D381-K464 IonicContact OD1-NZ 3.62Å; D381-K464 PolarHBondContact OD1-NZ 2.89Å; D381-K464 IonicContact OD2-NZ 3.19Å; D381-K464 PolarHBondContact OD2-NZ 2.86Å; L460-K464 WeakPolarHBondContact O-CB 3.39Å; L460-K464 PolarHBondContact O-N 2.76Å; Y461-K464 PolarHBondContact O-N 3Å; K464-L467 PolarHBondContact O-N 3.44Å; K464-M468 HydrophobicContact CG-CG 4.17Å; K464-M468 WeakPolarHBondContact O-CB 3.35Å; K464-M468 VanDerWaalsContact O-CG 3.31Å; K464-M468 WeakPolarHBondContact O-CG 3.49Å; K464-M468 PolarHBondContact O-N 3.16Å
465	S	93.2	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-54	176.4	-57	0	0	0	0	111.6	V379 I436 Y461 A462 R463 L467 M468 H469	V379-S465 WeakPolarHBondContact CG1-OG 3.44Å; I436-S465 WeakPolarHBondContact CD1-OG 3.31Å; I436-S465 WeakPolarHBondContact CG1-OG 3.25Å; Y461-S465 WeakPolarHBondContact O-CB 3.4Å; Y461-S465 PolarHBondContact O-N 3.06Å; Y461-S465 PolarHBondContact O-OG 3.39Å; A462-S465 WeakPolarHBondContact O-CB 3.44Å; A462-S465 PolarHBondContact O-N 3.01Å; R463-S465 VanDerWaalsContact C-N 3.25Å; R463-S465 PolarHBondContact O-N 3.32Å; S465-L467 VanDerWaalsContact C-N 3.33Å; S465-L467 PolarHBondContact O-N 3.02Å; S465-M468 PolarHBondContact O-N 2.97Å; S465-H469 WeakPolarHBondContact O-CB 3.46Å; S465-H469 PolarHBondContact O-N 3.37Å
466	T	90.1	Very high	90.3	Very high	42 Å²	42	45.9 Å²	45.9	26%	0.258	24%	0.239	S	C	.	.	H	α-helix	trans	-69.5	-27.3	179.8	-54.7	0	0	0	0	113	A462 R463 H469	A462-T466 PolarHBondContact O-N 2.6Å; R463-T466 PolarHBondContact O-N 3.48Å; T466-H469 CarbonylContact O-C 3.57Å
467	L	90.1	Very high	89.8	Confident	95 Å²	95	47.2 Å²	47.2	50%	0.497	24%	0.235	S	C	.	.	H	α-helix	trans	-72.2	-38.7	173.3	-73	171.3	0	0	0	113.1	L58 R463 K464 S465	L58-L467 HydrophobicContact CB-CD1 4.09Å; L58-L467 HydrophobicContact CD1-CD1 4.1Å; R463-L467 WeakPolarHBondContact O-CB 3.25Å; R463-L467 VanDerWaalsContact O-CG 3.31Å; R463-L467 WeakPolarHBondContact O-CG 3.34Å; R463-L467 PolarHBondContact O-N 2.82Å; K464-L467 PolarHBondContact O-N 3.44Å; S465-L467 VanDerWaalsContact C-N 3.33Å; S465-L467 PolarHBondContact O-N 3.02Å
468	M	89.4	Confident	89.1	Confident	60 Å²	60	49.2 Å²	49.2	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-79.1	-27.7	177.2	-66.4	-58.2	-63.8	0	0	112.6	T341 V379 K464 S465	T341-M468 PolarHBondContact OG1-O 3.17Å; T341-M468 VanDerWaalsContact OG1-O 3.09Å; V379-M468 HydrophobicContact CG2-CB 4.46Å; K464-M468 HydrophobicContact CG-CG 4.17Å; K464-M468 WeakPolarHBondContact O-CB 3.35Å; K464-M468 VanDerWaalsContact O-CG 3.31Å; K464-M468 WeakPolarHBondContact O-CG 3.49Å; K464-M468 PolarHBondContact O-N 3.16Å; S465-M468 PolarHBondContact O-N 2.97Å
469	H	89.8	Confident	88.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.			trans	-132.3	85.9	-179.1	-60.9	-74.8	0	0	0	111	C339 C344 L346 S378 S465 T466 E471 L472	C339-H469 PolarHBondContact SG-ND1 3.23Å; C339-H469 VanDerWaalsContact SG-ND1 3.38Å; C344-H469 PolarHBondContact SG-ND1 2.83Å; L346-H469 HydrophobicContact CD1-CB 3.68Å; L346-H469 VanDerWaalsContact CD1-ND1 3.29Å; L346-H469 WeakPolarHBondContact CD1-ND1 3.31Å; S378-H469 PolarHBondContact OG-CE1 2.91Å; S378-H469 PolarHBondContact OG-NE2 3.45Å; S465-H469 WeakPolarHBondContact O-CB 3.46Å; S465-H469 PolarHBondContact O-N 3.37Å; T466-H469 CarbonylContact O-C 3.57Å; H469-E471 PolarHBondContact O-N 3.44Å; H469-E471 VanDerWaalsContact O-N 3.09Å; H469-L472 HydrophobicContact CB-CB 4.48Å; H469-L472 HydrophobicContact CB-CD1 3.78Å; H469-L472 HydrophobicContact CB-CG 3.76Å; H469-L472 WeakPolarHBondContact O-CB 3.26Å; H469-L472 PolarHBondContact O-N 3.49Å
470	P	86.3	Confident	87.3	Confident	62 Å²	62	53.4 Å²	53.4	40%	0.403	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.9	177.7	-22.5	34.5	0	0	0	114.4	A337 L472	A337-P470 HydrophobicContact CB-CB 3.98Å; A337-P470 HydrophobicContact CB-CG 4.36Å; P470-L472 VanDerWaalsContact C-N 3.29Å
471	E	84.8	Confident	86.7	Confident	23 Å²	23	53.3 Å²	53.3	11%	0.107	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.3	175.7	-63.8	167.8	-167.5	0	0	112.3	C339 L346 E347 R432 H469	C339-E471 VanDerWaalsContact CB-CD 3.42Å; C339-E471 HydrophobicContact CB-CG 4.22Å; C339-E471 WeakPolarHBondContact CB-OE1 3.14Å; C339-E471 PolarHBondContact N-OE1 3.1Å; L346-E471 HydrophobicContact CB-CB 4.1Å; L346-E471 WeakPolarHBondContact CB-OE2 3.43Å; E347-E471 HydrophobicContact CB-CG 4.19Å; E347-E471 WeakPolarHBondContact CB-OE2 3.39Å; E347-E471 PolarHBondContact N-OE2 2.98Å; R432-E471 PolarHBondContact NH1-O 2.87Å; H469-E471 PolarHBondContact O-N 3.44Å; H469-E471 VanDerWaalsContact O-N 3.09Å
472	L	84.8	Confident	85.9	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	31%	0.309	C	S	.	.	S	Bend	trans	-80.4	137.3	170	-65.2	179.6	0	0	0	110.7	L346 Y375 R432 I436 H469 P470	L346-L472 HydrophobicContact CD1-CD2 4.03Å; L346-L472 HydrophobicContact CD1-CG 4.08Å; Y375-L472 HydrophobicContact CE1-CD1 4.22Å; R432-L472 HydrophobicContact CG-CD2 3.65Å; I436-L472 HydrophobicContact CG1-CD1 4.36Å; I436-L472 HydrophobicContact CG2-CD1 4.35Å; H469-L472 HydrophobicContact CB-CB 4.48Å; H469-L472 HydrophobicContact CB-CD1 3.78Å; H469-L472 HydrophobicContact CB-CG 3.76Å; H469-L472 WeakPolarHBondContact O-CB 3.26Å; H469-L472 PolarHBondContact O-N 3.49Å; P470-L472 VanDerWaalsContact C-N 3.29Å
473	P	84.2	Confident	85.3	Confident	64 Å²	64	58.6 Å²	58.6	42%	0.416	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-59.6	156.7	159.7	28.9	-34.2	0	0	0	109.3	D433 V475	D433-P473 VanDerWaalsContact OD2-CG 3.25Å; D433-P473 WeakPolarHBondContact OD2-CG 3.49Å; P473-V475 PolarHBondContact O-N 3.4Å; P473-V475 VanDerWaalsContact O-N 3.11Å
474	M	83.3	Confident	84.6	Confident	139 Å²	139	62.2 Å²	62.2	69%	0.685	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-53.1	121.5	174.7	178.4	173.6	60.4	0	0	110	T476	M474-T476 HydrophobicContact CE-CG2 4.02Å; M474-T476 PolarHBondContact O-N 2.89Å
475	V	86.2	Confident	84.2	Confident	12 Å²	12	63.9 Å²	63.9	7%	0.073	34%	0.338	C	S	.	.			trans	-68	104.7	-179.8	-177	0	0	0	0	108.5	I436 H437 W458 A462 P473	I436-V475 HydrophobicContact CG1-CG2 4.37Å; I436-V475 HydrophobicContact CG2-CG2 3.85Å; H437-V475 HydrophobicContact CB-CG1 4.31Å; W458-V475 HydrophobicContact CH2-CG1 3.96Å; W458-V475 WeakPolarHBondContact CH2-O 3.3Å; W458-V475 HydrophobicContact CZ2-CG1 3.9Å; A462-V475 HydrophobicContact CB-CB 3.94Å; A462-V475 HydrophobicContact CB-CG1 4.2Å; P473-V475 PolarHBondContact O-N 3.4Å; P473-V475 VanDerWaalsContact O-N 3.11Å
476	T	85.9	Confident	83.7	Confident	60 Å²	60	70.7 Å²	70.7	37%	0.368	37%	0.368	S	S	.	.			trans	-98.6	165.5	-175.5	46.6	0	0	0	0	112.2	H437 W458 M474 C478	H437-T476 PolarHBondContact CE1-O 3.5Å; H437-T476 PolarHBondContact ND1-O 3.36Å; W458-T476 WeakPolarHBondContact CH2-O 3.3Å; M474-T476 HydrophobicContact CE-CG2 4.02Å; M474-T476 PolarHBondContact O-N 2.89Å; T476-C478 VanDerWaalsContact C-N 3.27Å; T476-C478 PolarHBondContact O-N 2.64Å
477	R	84.7	Confident	83.5	Confident	144 Å²	144	70.6 Å²	70.6	54%	0.543	36%	0.364	S	S	.	.	S	Bend	trans	-61.1	-30.7	-178.9	-62.7	-162.4	178.2	149.5	-0.5	114.4	H437 H454	H437-R477 PolarHBondContact CE1-O 3.44Å; H454-R477 HydrophobicContact CB-CB 4.35Å; H454-R477 HydrophobicContact CB-CG 3.59Å; H454-R477 PolarHBondContact CE1-O 2.85Å; H454-R477 PolarHBondContact NE2-O 3.25Å; H454-R477 VanDerWaalsContact NE2-O 3.09Å
478	C	80.3	Confident	83.5	Confident	98 Å²	98	70.3 Å²	70.3	66%	0.662	36%	0.36	S	S	*	.	S	Bend	trans	-142.7	130.8	-175.6	-50.9	0	0	0	0	109.6	T476	T476-C478 VanDerWaalsContact C-N 3.27Å; T476-C478 PolarHBondContact O-N 2.64Å
479	H	76.3	Confident	83.6	Confident	49 Å²	49	67.6 Å²	67.6	23%	0.227	35%	0.347	C	S	.	.			trans	-83.4	114.7	173.2	-61.7	-85.7	0	0	0	110.8	D433 H437 Y481	D433-H479 PolarHBondContact O-CE1 3.48Å; H437-H479 VanDerWaalsContact CB-NE2 3.32Å; H437-H479 WeakPolarHBondContact CB-NE2 3.16Å; H437-H479 AromaticContact CG-NE2 3.56Å; H437-H479 AromaticContact ND1-NE2 3.57Å; H479-Y481 HydrophobicContact CB-CD1 4.22Å; H479-Y481 HydrophobicContact CB-CD2 3.68Å; H479-Y481 HydrophobicContact CB-CE1 3.92Å; H479-Y481 HydrophobicContact CB-CE2 3.35Å; H479-Y481 HydrophobicContact CB-CG 4.11Å; H479-Y481 VanDerWaalsContact CB-CZ 3.48Å; H479-Y481 AromaticContact CG-CE2 3.74Å; H479-Y481 AromaticContact CG-CZ 3.61Å; H479-Y481 AromaticContact ND1-CZ 3.58Å; H479-Y481 PolarHBondContact ND1-OH 2.91Å; H479-Y481 VanDerWaalsContact ND1-OH 3.09Å; H479-Y481 PolarHBondContact O-N 3.32Å
480	S	74.8	Confident	83.8	Confident	124 Å²	124	70.5 Å²	70.5	87%	0.867	36%	0.36	S	S	*	.			trans	-81.8	62.2	176.6	64.5	0	0	0	0	112
481	Y	81.5	Confident	84.1	Confident	41 Å²	41	67.7 Å²	67.7	16%	0.161	34%	0.342	C	S	.	.			trans	-80.9	128	179.3	-60.6	-42.3	0	0	0	112.3	A400 V424 R430 D433 T434 H479 I483	A400-Y481 HydrophobicContact CB-CD2 3.77Å; A400-Y481 HydrophobicContact CB-CE2 3.51Å; V424-Y481 HydrophobicContact CG1-CD2 4.03Å; R430-Y481 HydrophobicContact CB-CE1 4.2Å; R430-Y481 HydrophobicContact CB-CE2 4.26Å; R430-Y481 HydrophobicContact CG-CD1 3.94Å; R430-Y481 HydrophobicContact CG-CE1 3.69Å; R430-Y481 HydrophobicContact CG-CE2 4.37Å; R430-Y481 HydrophobicContact CG-CG 4.39Å; R430-Y481 PolarHBondContact O-OH 3.19Å; D433-Y481 WeakPolarHBondContact CB-OH 3.29Å; T434-Y481 WeakPolarHBondContact OG1-CE2 3.33Å; T434-Y481 PolarHBondContact OG1-OH 3.3Å; H479-Y481 HydrophobicContact CB-CD1 4.22Å; H479-Y481 HydrophobicContact CB-CD2 3.68Å; H479-Y481 HydrophobicContact CB-CE1 3.92Å; H479-Y481 HydrophobicContact CB-CE2 3.35Å; H479-Y481 HydrophobicContact CB-CG 4.11Å; H479-Y481 VanDerWaalsContact CB-CZ 3.48Å; H479-Y481 AromaticContact CG-CE2 3.74Å; H479-Y481 AromaticContact CG-CZ 3.61Å; H479-Y481 AromaticContact ND1-CZ 3.58Å; H479-Y481 PolarHBondContact ND1-OH 2.91Å; H479-Y481 VanDerWaalsContact ND1-OH 3.09Å; H479-Y481 PolarHBondContact O-N 3.32Å; Y481-I483 PolarHBondContact O-N 3.31Å
482	D	77.6	Confident	84.5	Confident	105 Å²	105	74.2 Å²	74.2	56%	0.561	37%	0.37	S	S	*	.			trans	-71.6	108.3	166.9	-86.5	-40.7	0	0	0	110.7	R184 R430 K484	R184-D482 IonicContact CZ-OD1 3.99Å; R184-D482 IonicContact NH2-OD1 3.81Å; R184-D482 PolarHBondContact NH2-OD1 3.33Å; R184-D482 IonicContact NH2-OD2 3.85Å; R430-D482 PolarHBondContact NH2-O 3.09Å; D482-K484 PolarHBondContact O-N 3.45Å
483	I	82.1	Confident	84.9	Confident	31 Å²	31	81.9 Å²	81.9	16%	0.159	40%	0.398	C	S	.	.			trans	-75.3	122.5	-178.2	-58.6	172.6	0	0	0	110.2	V424 Y481 Y485	V424-I483 HydrophobicContact CG1-CD1 4.38Å; V424-I483 HydrophobicContact CG1-CG1 4.14Å; V424-I483 HydrophobicContact CG2-CD1 3.81Å; V424-I483 HydrophobicContact CG2-CG1 4.05Å; V424-I483 HydrophobicContact CG2-CG2 4.4Å; Y481-I483 PolarHBondContact O-N 3.31Å; I483-Y485 HydrophobicContact CB-CE1 4.29Å; I483-Y485 HydrophobicContact CB-CE2 3.83Å; I483-Y485 WeakPolarHBondContact CD1-OH 3.36Å; I483-Y485 HydrophobicContact CG2-CD1 4.08Å; I483-Y485 HydrophobicContact CG2-CD2 4.42Å; I483-Y485 HydrophobicContact CG2-CE1 3.55Å; I483-Y485 HydrophobicContact CG2-CE2 3.96Å; I483-Y485 HydrophobicContact CG2-CG 4.5Å; I483-Y485 VanDerWaalsContact CG2-CZ 3.48Å; I483-Y485 VanDerWaalsContact O-CD2 3.22Å; I483-Y485 WeakPolarHBondContact O-CD2 3.15Å; I483-Y485 WeakPolarHBondContact O-CE2 3.36Å; I483-Y485 PolarHBondContact O-N 2.04Å
484	K	78.8	Confident	85.3	Confident	134 Å²	134	81.3 Å²	81.3	58%	0.583	40%	0.395	S	S	*	.			trans	-82.9	94	-179.2	-62.3	177.3	-161	137.4	0	111.1	D426 D482	D426-K484 IonicContact OD1-NZ 2.83Å; D426-K484 IonicContact OD2-NZ 3.69Å; D426-K484 PolarHBondContact OD2-NZ 3.38Å; D482-K484 PolarHBondContact O-N 3.45Å
485	Y	83.9	Confident	85.7	Confident	51 Å²	51	81.6 Å²	81.6	20%	0.2	40%	0.395	C	S	.	.			trans	-79.5	130.6	177.1	-61.6	-69.3	0	0	0	112.6	I182 I483 F487 G499 H501	I182-Y485 VanDerWaalsContact CD1-OH 3.27Å; I182-Y485 WeakPolarHBondContact CD1-OH 3.34Å; I483-Y485 HydrophobicContact CB-CE1 4.29Å; I483-Y485 HydrophobicContact CB-CE2 3.83Å; I483-Y485 WeakPolarHBondContact CD1-OH 3.36Å; I483-Y485 HydrophobicContact CG2-CD1 4.08Å; I483-Y485 HydrophobicContact CG2-CD2 4.42Å; I483-Y485 HydrophobicContact CG2-CE1 3.55Å; I483-Y485 HydrophobicContact CG2-CE2 3.96Å; I483-Y485 HydrophobicContact CG2-CG 4.5Å; I483-Y485 VanDerWaalsContact CG2-CZ 3.48Å; I483-Y485 VanDerWaalsContact O-CD2 3.22Å; I483-Y485 WeakPolarHBondContact O-CD2 3.15Å; I483-Y485 WeakPolarHBondContact O-CE2 3.36Å; I483-Y485 PolarHBondContact O-N 2.04Å; Y485-F487 VanDerWaalsContact C-N 3.32Å; Y485-G499 VanDerWaalsContact CG-CA 3.45Å; Y485-H501 AromaticContact CD1-CD2 3.87Å; Y485-H501 AromaticContact CD1-CE1 3.74Å; Y485-H501 AromaticContact CD1-NE2 3.6Å; Y485-H501 AromaticContact CE1-CD2 3.89Å; Y485-H501 AromaticContact CE1-CE1 3.98Å; Y485-H501 AromaticContact CE1-NE2 3.44Å; Y485-H501 WeakPolarHBondContact CE1-NE2 3.35Å
486	K	82.8	Confident	85.9	Confident	144 Å²	144	82.5 Å²	82.5	63%	0.626	40%	0.399	S	S	*	.	S	Bend	trans	-68.2	-31.7	176.5	179	177.3	171.9	-174.3	0	112.3	R500	K486-R500 PolarHBondContact N-O 3.49Å
487	F	86.8	Confident	86.1	Confident	39 Å²	39	82.3 Å²	82.3	17%	0.171	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.7	179.7	-56.9	-84.5	0	0	0	108.4	Y485 Y489 R500 K503 L521	Y485-F487 VanDerWaalsContact C-N 3.32Å; F487-Y489 HydrophobicContact CB-CE2 3.87Å; F487-R500 PolarHBondContact N-O 3.48Å; F487-R500 PolarHBondContact O-N 3.04Å; F487-K503 HydrophobicContact CD1-CB 4.03Å; F487-K503 HydrophobicContact CD1-CG 4.2Å; F487-K503 HydrophobicContact CD2-CB 4.48Å; F487-K503 HydrophobicContact CE1-CB 3.73Å; F487-K503 HydrophobicContact CE1-CG 4.07Å; F487-K503 HydrophobicContact CE2-CB 4.19Å; F487-K503 HydrophobicContact CG-CB 4.39Å; F487-K503 HydrophobicContact CZ-CB 3.79Å; F487-L521 HydrophobicContact CB-CD1 3.8Å; F487-L521 HydrophobicContact CD1-CD1 3.97Å; F487-L521 HydrophobicContact CD1-CD2 4.36Å; F487-L521 HydrophobicContact CG-CD1 4.38Å
488	Q	89.9	Confident	86.3	Confident	89 Å²	89	76.1 Å²	76.1	42%	0.416	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134	175.7	-64.4	-175.1	13.3	0	0	108.2	T497 L522	Q488-T497 HydrophobicContact CB-CG2 3.91Å; Q488-L522 HydrophobicContact CB-CB 4.35Å; Q488-L522 HydrophobicContact CB-CD1 4.44Å; Q488-L522 WeakPolarHBondContact O-CB 3.47Å; Q488-L522 PolarHBondContact O-N 3.25Å
489	Y	90.6	Very high	86.6	Confident	4 Å²	4	72 Å²	72	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.6	-177.8	-66.1	-100.8	0	0	0	109	F487 T497 I498 R500 K503 L505 T507 V520 L521	F487-Y489 HydrophobicContact CB-CE2 3.87Å; Y489-T497 CarbonylContact O-C 3.55Å; Y489-T497 WeakPolarHBondContact O-CA 3.33Å; Y489-I498 PolarHBondContact N-O 3.43Å; Y489-I498 PolarHBondContact O-N 3.31Å; Y489-R500 HydrophobicContact CD2-CG 4.24Å; Y489-R500 HydrophobicContact CE2-CB 4.17Å; Y489-R500 HydrophobicContact CE2-CG 4.04Å; Y489-K503 WeakPolarHBondContact OH-CA 3.27Å; Y489-L505 HydrophobicContact CD1-CB 4.39Å; Y489-L505 HydrophobicContact CD1-CD2 3.63Å; Y489-L505 HydrophobicContact CD2-CB 4.3Å; Y489-L505 HydrophobicContact CD2-CD2 4.06Å; Y489-L505 HydrophobicContact CE1-CB 3.91Å; Y489-L505 HydrophobicContact CE1-CD2 3.99Å; Y489-L505 HydrophobicContact CE2-CB 3.84Å; Y489-L505 HydrophobicContact CE2-CD2 4.4Å; Y489-L505 HydrophobicContact CG-CD2 3.64Å; Y489-L505 PolarHBondContact OH-O 3.32Å; Y489-T507 HydrophobicContact CD1-CG2 3.75Å; Y489-T507 HydrophobicContact CE1-CG2 3.85Å; Y489-V520 CarbonylContact C-O 3.56Å; Y489-V520 VanDerWaalsContact CA-O 3.31Å; Y489-V520 WeakPolarHBondContact CA-O 3.38Å; Y489-L521 HydrophobicContact CD1-CB 3.99Å; Y489-L521 HydrophobicContact CD1-CD1 4.17Å; Y489-L521 HydrophobicContact CD2-CD1 4.21Å; Y489-L521 HydrophobicContact CE1-CB 3.91Å; Y489-L521 HydrophobicContact CE1-CD1 3.9Å; Y489-L521 HydrophobicContact CE1-CG 4.46Å; Y489-L521 HydrophobicContact CE2-CD1 3.9Å; Y489-L521 HydrophobicContact CG-CD1 4.35Å
490	Q	93.5	Very high	87	Confident	61 Å²	61	71.7 Å²	71.7	29%	0.285	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.1	-179.5	-166.1	173.4	34.5	0	0	111.2	Q495 N496 V520 L522	Q490-Q495 WeakPolarHBondContact CG-O 3.13Å; Q490-Q495 PolarHBondContact NE2-O 2.59Å; Q490-N496 CarbonylContact C-O 3.58Å; Q490-N496 WeakPolarHBondContact CA-O 3.36Å; Q490-V520 PolarHBondContact N-O 3.33Å; Q490-V520 PolarHBondContact O-N 3.19Å; Q490-L522 HydrophobicContact CB-CD1 3.93Å; Q490-L522 HydrophobicContact CB-CD2 3.96Å; Q490-L522 HydrophobicContact CB-CG 3.83Å
491	C	94.4	Very high	87.3	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.9	171.8	-173.5	0	0	0	0	111.4	R493 Q495 N496 C512 C515 L519	C491-R493 PolarHBondContact O-N 2.64Å; C491-R493 PolarHBondContact SG-N 3.23Å; C491-R493 VanDerWaalsContact SG-N 3.41Å; C491-Q495 VanDerWaalsContact O-CA 3.28Å; C491-Q495 WeakPolarHBondContact O-CA 3.48Å; C491-Q495 PolarHBondContact O-N 2.85Å; C491-N496 PolarHBondContact N-O 3.5Å; C491-C512 HydrophobicContact CB-CB 3.65Å; C491-C512 WeakPolarHBondContact SG-CB 3.11Å; C491-C515 PolarHBondContact SG-SG 3.06Å; C491-L519 HydrophobicContact CB-CD2 3.9Å
492	K	93.3	Very high	87.4	Confident	160 Å²	160	67.3 Å²	67.3	70%	0.696	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.7	175.3	-86	179.5	161.1	173.8	0	114.4	P518 V520	K492-P518 HydrophobicContact CB-CG 4.43Å; K492-P518 PolarHBondContact N-O 2.75Å; K492-V520 HydrophobicContact CD-CG2 3.8Å; K492-V520 HydrophobicContact CG-CG2 4.01Å
493	R	92	Very high	87.7	Confident	169 Å²	169	69.8 Å²	69.8	64%	0.638	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-57.7	-179.8	-64	180	82.1	-177.8	11.6	112.8	C491 C515	C491-R493 PolarHBondContact O-N 2.64Å; C491-R493 PolarHBondContact SG-N 3.23Å; C491-R493 VanDerWaalsContact SG-N 3.41Å; R493-C515 PolarHBondContact NH1-O 2.77Å
494	C	92.8	Very high	87.6	Confident	52 Å²	52	72.2 Å²	72.2	35%	0.351	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	4.5	-172.7	70.9	0	0	0	0	114.9	N496 C512 C515	C494-N496 PolarHBondContact O-N 2.79Å; C494-N496 VanDerWaalsContact SG-CB 3.58Å; C494-C512 VanDerWaalsContact SG-SG 3.67Å; C494-C515 HydrophobicContact CB-CB 4.27Å; C494-C515 PolarHBondContact SG-SG 3.48Å
495	Q	91.8	Very high	87.8	Confident	144 Å²	144	66.6 Å²	66.6	67%	0.673	32%	0.32	S	S	*	.			trans	59.3	5.3	-179.4	-57.1	-176.3	9.2	0	0	116.2	Q490 C491	Q490-Q495 WeakPolarHBondContact CG-O 3.13Å; Q490-Q495 PolarHBondContact NE2-O 2.59Å; C491-Q495 VanDerWaalsContact O-CA 3.28Å; C491-Q495 WeakPolarHBondContact O-CA 3.48Å; C491-Q495 PolarHBondContact O-N 2.85Å
496	N	90.7	Very high	87.9	Confident	32 Å²	32	67.1 Å²	67.1	17%	0.171	33%	0.326	C	S	.	.			trans	-62.1	141.6	174.4	-174.5	26.5	0	0	0	111.5	Q490 C491 C494 L514	Q490-N496 CarbonylContact C-O 3.58Å; Q490-N496 WeakPolarHBondContact CA-O 3.36Å; C491-N496 PolarHBondContact N-O 3.5Å; C494-N496 PolarHBondContact O-N 2.79Å; C494-N496 VanDerWaalsContact SG-CB 3.58Å; N496-L514 HydrophobicContact CB-CD1 4.03Å
497	T	90	Very high	88	Confident	55 Å²	55	63.1 Å²	63.1	34%	0.337	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.6	-171.7	-58.1	0	0	0	0	111.6	Q488 Y489 L522	Q488-T497 HydrophobicContact CB-CG2 3.91Å; Y489-T497 CarbonylContact O-C 3.55Å; Y489-T497 WeakPolarHBondContact O-CA 3.33Å; T497-L522 HydrophobicContact CG2-CD1 4.38Å
498	I	88.6	Confident	87.9	Confident	14 Å²	14	69.8 Å²	69.8	7%	0.072	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.1	-179	-58.9	178.2	0	0	0	109.6	Y489 L519	Y489-I498 PolarHBondContact N-O 3.43Å; Y489-I498 PolarHBondContact O-N 3.31Å; I498-L519 HydrophobicContact CD1-CD1 3.84Å; I498-L519 HydrophobicContact CD1-CD2 4.04Å
499	G	87.1	Confident	87.8	Confident	13 Å²	13	75.6 Å²	75.6	13%	0.134	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.8	179.4	0	0	0	0	0	114.1	Y485	Y485-G499 VanDerWaalsContact CG-CA 3.45Å
500	R	85.2	Confident	87.7	Confident	42 Å²	42	80.9 Å²	80.9	16%	0.158	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.2	172.5	-59.1	-66.7	179	-123.6	11.6	111.3	N180 K486 F487 Y489 S502 L505	N180-R500 VanDerWaalsContact CG-NH2 3.28Å; N180-R500 PolarHBondContact O-NH1 3.3Å; N180-R500 PolarHBondContact O-NH2 3.25Å; N180-R500 PolarHBondContact OD1-NH1 3.08Å; N180-R500 PolarHBondContact OD1-NH2 3.46Å; K486-R500 PolarHBondContact N-O 3.49Å; F487-R500 PolarHBondContact N-O 3.48Å; F487-R500 PolarHBondContact O-N 3.04Å; Y489-R500 HydrophobicContact CD2-CG 4.24Å; Y489-R500 HydrophobicContact CE2-CB 4.17Å; Y489-R500 HydrophobicContact CE2-CG 4.04Å; R500-S502 WeakPolarHBondContact CB-O 3.45Å; R500-L505 HydrophobicContact CG-CB 4.5Å
501	H	79.8	Confident	87.6	Confident	39 Å²	39	81.7 Å²	81.7	18%	0.181	40%	0.395	C	S	.	.	S	Bend	trans	-86	-11.5	173.4	-62	-77.8	0	0	0	113.4	Y485	Y485-H501 AromaticContact CD1-CD2 3.87Å; Y485-H501 AromaticContact CD1-CE1 3.74Å; Y485-H501 AromaticContact CD1-NE2 3.6Å; Y485-H501 AromaticContact CE1-CD2 3.89Å; Y485-H501 AromaticContact CE1-CE1 3.98Å; Y485-H501 AromaticContact CE1-NE2 3.44Å; Y485-H501 WeakPolarHBondContact CE1-NE2 3.35Å
502	S	83.8	Confident	87.5	Confident	34 Å²	34	81.6 Å²	81.6	24%	0.238	40%	0.395	C	S	.	.	S	Bend	trans	-128.1	152.6	-179.9	43.7	0	0	0	0	110.5	R500 S504	R500-S502 WeakPolarHBondContact CB-O 3.45Å; S502-S504 PolarHBondContact O-N 2.96Å; S502-S504 PolarHBondContact OG-OG 3.22Å
503	K	83.9	Confident	87.4	Confident	157 Å²	157	77.1 Å²	77.1	68%	0.683	39%	0.388	S	S	*	.	S	Bend	trans	-76.8	39.6	174.7	-161.7	-161.1	171.7	-167.5	0	111.5	F487 Y489 L521	F487-K503 HydrophobicContact CD1-CB 4.03Å; F487-K503 HydrophobicContact CD1-CG 4.2Å; F487-K503 HydrophobicContact CD2-CB 4.48Å; F487-K503 HydrophobicContact CE1-CB 3.73Å; F487-K503 HydrophobicContact CE1-CG 4.07Å; F487-K503 HydrophobicContact CE2-CB 4.19Å; F487-K503 HydrophobicContact CG-CB 4.39Å; F487-K503 HydrophobicContact CZ-CB 3.79Å; Y489-K503 WeakPolarHBondContact OH-CA 3.27Å; K503-L521 HydrophobicContact CG-CD2 4.47Å
504	S	79.5	Confident	87.4	Confident	81 Å²	81	73.6 Å²	73.6	57%	0.566	38%	0.381	S	S	*	.			trans	-104.8	13.3	-166.9	65.2	0	0	0	0	113.5	S502	S502-S504 PolarHBondContact O-N 2.96Å; S502-S504 PolarHBondContact OG-OG 3.22Å
505	L	84.1	Confident	87.4	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	38%	0.375	C	S	.	.			trans	-93.6	109.9	167	-170.9	91.6	0	0	0	108.1	Y489 R500 T507 F510 L519	Y489-L505 HydrophobicContact CD1-CB 4.39Å; Y489-L505 HydrophobicContact CD1-CD2 3.63Å; Y489-L505 HydrophobicContact CD2-CB 4.3Å; Y489-L505 HydrophobicContact CD2-CD2 4.06Å; Y489-L505 HydrophobicContact CE1-CB 3.91Å; Y489-L505 HydrophobicContact CE1-CD2 3.99Å; Y489-L505 HydrophobicContact CE2-CB 3.84Å; Y489-L505 HydrophobicContact CE2-CD2 4.4Å; Y489-L505 HydrophobicContact CG-CD2 3.64Å; Y489-L505 PolarHBondContact OH-O 3.32Å; R500-L505 HydrophobicContact CG-CB 4.5Å; L505-T507 HydrophobicContact CD2-CG2 4.43Å; L505-T507 PolarHBondContact O-N 3.11Å; L505-F510 HydrophobicContact CD1-CB 3.86Å; L505-F510 HydrophobicContact CD1-CD2 4.15Å; L505-F510 HydrophobicContact CD1-CG 3.97Å; L505-F510 HydrophobicContact CG-CB 4.13Å; L505-F510 HydrophobicContact CG-CD2 4.47Å; L505-L519 HydrophobicContact CD2-CB 4.37Å; L505-L519 HydrophobicContact CD2-CD1 3.75Å
506	D	84.5	Confident	87.4	Confident	62 Å²	62	70.6 Å²	70.6	33%	0.332	37%	0.372	S	S	.	.			trans	-73.3	110.8	169.6	173.5	7.9	0	0	0	109.7	Q508 R509 F510	D506-Q508 PolarHBondContact O-N 2.88Å; D506-Q508 WeakPolarHBondContact OD1-CB 3.46Å; D506-Q508 PolarHBondContact OD1-N 3.46Å; D506-R509 HydrophobicContact CB-CB 4.36Å; D506-R509 PolarHBondContact O-N 3.28Å; D506-R509 WeakPolarHBondContact OD2-CB 3.21Å; D506-R509 VanDerWaalsContact OD2-CD 3.23Å; D506-R509 WeakPolarHBondContact OD2-CD 3.19Å; D506-R509 WeakPolarHBondContact OD2-CG 3.42Å; D506-R509 IonicContact OD2-NE 3.43Å; D506-F510 HydrophobicContact CB-CD2 4.32Å; D506-F510 WeakPolarHBondContact O-CB 2.96Å; D506-F510 WeakPolarHBondContact O-CD2 2.98Å; D506-F510 PolarHBondContact O-N 2.87Å
507	T	86.2	Confident	87.4	Confident	60 Å²	60	69.1 Å²	69.1	37%	0.368	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.7	-179	50.9	0	0	0	0	114.3	Y489 L505 L519	Y489-T507 HydrophobicContact CD1-CG2 3.75Å; Y489-T507 HydrophobicContact CE1-CG2 3.85Å; L505-T507 HydrophobicContact CD2-CG2 4.43Å; L505-T507 PolarHBondContact O-N 3.11Å; T507-L519 VanDerWaalsContact CB-O 3.29Å; T507-L519 WeakPolarHBondContact CB-O 3.2Å; T507-L519 HydrophobicContact CG2-CB 4.22Å; T507-L519 WeakPolarHBondContact CG2-O 3.33Å
508	Q	83.7	Confident	87.5	Confident	178 Å²	178	69.8 Å²	69.8	83%	0.832	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-38	169.3	-60	-171	-3.9	0	0	111.5	D506	D506-Q508 PolarHBondContact O-N 2.88Å; D506-Q508 WeakPolarHBondContact OD1-CB 3.46Å; D506-Q508 PolarHBondContact OD1-N 3.46Å
509	R	87.4	Confident	87.8	Confident	211 Å²	211	69.3 Å²	69.3	80%	0.796	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-37.6	177.2	-75.5	178.2	172.6	-172.1	-3.4	114.2	D506	D506-R509 HydrophobicContact CB-CB 4.36Å; D506-R509 PolarHBondContact O-N 3.28Å; D506-R509 WeakPolarHBondContact OD2-CB 3.21Å; D506-R509 VanDerWaalsContact OD2-CD 3.23Å; D506-R509 WeakPolarHBondContact OD2-CD 3.19Å; D506-R509 WeakPolarHBondContact OD2-CG 3.42Å; D506-R509 IonicContact OD2-NE 3.43Å
510	F	88.6	Confident	88	Confident	115 Å²	115	71.6 Å²	71.6	50%	0.504	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-102.1	119.3	-173.6	-66.2	-79.1	0	0	0	112.5	L505 D506	L505-F510 HydrophobicContact CD1-CB 3.86Å; L505-F510 HydrophobicContact CD1-CD2 4.15Å; L505-F510 HydrophobicContact CD1-CG 3.97Å; L505-F510 HydrophobicContact CG-CB 4.13Å; L505-F510 HydrophobicContact CG-CD2 4.47Å; D506-F510 HydrophobicContact CB-CD2 4.32Å; D506-F510 WeakPolarHBondContact O-CB 2.96Å; D506-F510 WeakPolarHBondContact O-CD2 2.98Å; D506-F510 PolarHBondContact O-N 2.87Å
511	V	92.9	Very high	88.3	Confident	78 Å²	78	71.4 Å²	71.4	47%	0.473	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-99.3	167.3	173.6	-63.1	0	0	0	0	111.8	A513 T516	V511-A513 PolarHBondContact O-N 2.9Å; V511-T516 HydrophobicContact CG2-CG2 4.43Å
512	C	92.6	Very high	88.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-73.1	119.4	176.1	-172.9	0	0	0	0	111.8	C491 C494 L514 C515 T516 G517 L519	C491-C512 HydrophobicContact CB-CB 3.65Å; C491-C512 WeakPolarHBondContact SG-CB 3.11Å; C494-C512 VanDerWaalsContact SG-SG 3.67Å; C512-L514 PolarHBondContact O-N 3.34Å; C512-C515 PolarHBondContact O-N 3.03Å; C512-C515 VanDerWaalsContact O-N 3.11Å; C512-T516 VanDerWaalsContact O-CA 3.32Å; C512-T516 WeakPolarHBondContact O-CA 3.38Å; C512-T516 PolarHBondContact O-N 3.05Å; C512-G517 WeakPolarHBondContact CB-O 3.12Å; C512-G517 PolarHBondContact N-O 3.44Å; C512-L519 HydrophobicContact CB-CD2 3.76Å; C512-L519 HydrophobicContact CB-CG 4.24Å
513	A	90.1	Very high	87.8	Confident	67 Å²	67	75.7 Å²	75.7	55%	0.554	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-24.6	180	0	0	0	0	0	115.2	I181 V511	I181-A513 HydrophobicContact CD1-CB 3.67Å; I181-A513 HydrophobicContact CG1-CB 3.77Å; V511-A513 PolarHBondContact O-N 2.9Å
514	L	92.3	Very high	86.7	Confident	94 Å²	94	72.5 Å²	72.5	49%	0.492	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.9	179.9	-79.6	-178.2	0	0	0	115.5	M183 N496 C512	M183-L514 HydrophobicContact CE-CD2 3.75Å; M183-L514 HydrophobicContact SD-CD1 3.91Å; M183-L514 HydrophobicContact SD-CD2 3.66Å; M183-L514 HydrophobicContact SD-CG 3.89Å; N496-L514 HydrophobicContact CB-CD1 4.03Å; C512-L514 PolarHBondContact O-N 3.34Å
515	C	92.5	Very high	85.3	Confident	32 Å²	32	72.3 Å²	72.3	22%	0.216	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-156.5	13.1	-167.8	68.3	0	0	0	0	114.4	C491 R493 C494 C512 G517	C491-C515 PolarHBondContact SG-SG 3.06Å; R493-C515 PolarHBondContact NH1-O 2.77Å; C494-C515 HydrophobicContact CB-CB 4.27Å; C494-C515 PolarHBondContact SG-SG 3.48Å; C512-C515 PolarHBondContact O-N 3.03Å; C512-C515 VanDerWaalsContact O-N 3.11Å; C515-G517 PolarHBondContact O-N 3.39Å
516	T	91.7	Very high	83.8	Confident	102 Å²	102	80.9 Å²	80.9	63%	0.626	44%	0.443	S	S	*	.			trans	47.6	19.2	-173.6	59.4	0	0	0	0	115.2	V511 C512	V511-T516 HydrophobicContact CG2-CG2 4.43Å; C512-T516 VanDerWaalsContact O-CA 3.32Å; C512-T516 WeakPolarHBondContact O-CA 3.38Å; C512-T516 PolarHBondContact O-N 3.05Å
517	G	91.4	Very high	82.4	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-80.5	151.3	-177.5	0	0	0	0	0	113.4	C512 C515 L519	C512-G517 WeakPolarHBondContact CB-O 3.12Å; C512-G517 PolarHBondContact N-O 3.44Å; C515-G517 PolarHBondContact O-N 3.39Å; G517-L519 PolarHBondContact O-N 2.93Å
518	P	92.4	Very high	81.2	Confident	70 Å²	70	92 Å²	92	46%	0.455	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-61.6	137.5	179.3	25.2	-33.7	0	0	0	111.5	K492	K492-P518 HydrophobicContact CB-CG 4.43Å; K492-P518 PolarHBondContact N-O 2.75Å
519	L	93.4	Very high	80.7	Confident	4 Å²	4	87.2 Å²	87.2	2%	0.021	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.3	174.7	-66.2	170.5	0	0	0	109.4	C491 I498 L505 T507 C512 G517	C491-L519 HydrophobicContact CB-CD2 3.9Å; I498-L519 HydrophobicContact CD1-CD1 3.84Å; I498-L519 HydrophobicContact CD1-CD2 4.04Å; L505-L519 HydrophobicContact CD2-CB 4.37Å; L505-L519 HydrophobicContact CD2-CD1 3.75Å; T507-L519 VanDerWaalsContact CB-O 3.29Å; T507-L519 WeakPolarHBondContact CB-O 3.2Å; T507-L519 HydrophobicContact CG2-CB 4.22Å; T507-L519 WeakPolarHBondContact CG2-O 3.33Å; C512-L519 HydrophobicContact CB-CD2 3.76Å; C512-L519 HydrophobicContact CB-CG 4.24Å; G517-L519 PolarHBondContact O-N 2.93Å
520	V	91.7	Very high	80.1	Confident	60 Å²	60	81.5 Å²	81.5	36%	0.364	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.2	176.6	175.8	0	0	0	0	109.3	Y489 Q490 K492 L522	Y489-V520 CarbonylContact C-O 3.56Å; Y489-V520 VanDerWaalsContact CA-O 3.31Å; Y489-V520 WeakPolarHBondContact CA-O 3.38Å; Q490-V520 PolarHBondContact N-O 3.33Å; Q490-V520 PolarHBondContact O-N 3.19Å; K492-V520 HydrophobicContact CD-CG2 3.8Å; K492-V520 HydrophobicContact CG-CG2 4.01Å; V520-L522 PolarHBondContact O-N 2.89Å
521	L	91.2	Very high	80	Confident	39 Å²	39	79.9 Å²	79.9	20%	0.204	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.3	176	-179.2	68.9	0	0	0	110.2	F487 Y489 K503 T523	F487-L521 HydrophobicContact CB-CD1 3.8Å; F487-L521 HydrophobicContact CD1-CD1 3.97Å; F487-L521 HydrophobicContact CD1-CD2 4.36Å; F487-L521 HydrophobicContact CG-CD1 4.38Å; Y489-L521 HydrophobicContact CD1-CB 3.99Å; Y489-L521 HydrophobicContact CD1-CD1 4.17Å; Y489-L521 HydrophobicContact CD2-CD1 4.21Å; Y489-L521 HydrophobicContact CE1-CB 3.91Å; Y489-L521 HydrophobicContact CE1-CD1 3.9Å; Y489-L521 HydrophobicContact CE1-CG 4.46Å; Y489-L521 HydrophobicContact CE2-CD1 3.9Å; Y489-L521 HydrophobicContact CG-CD1 4.35Å; K503-L521 HydrophobicContact CG-CD2 4.47Å; L521-T523 PolarHBondContact O-N 2.64Å; L521-T523 VanDerWaalsContact O-N 3.07Å; L521-T523 PolarHBondContact O-OG1 3.16Å
522	L	85.3	Confident	79.7	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.366	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	95.3	161.5	-63.5	-177.8	0	0	0	107.5	Q488 Q490 T497 V520 A524	Q488-L522 HydrophobicContact CB-CB 4.35Å; Q488-L522 HydrophobicContact CB-CD1 4.44Å; Q488-L522 WeakPolarHBondContact O-CB 3.47Å; Q488-L522 PolarHBondContact O-N 3.25Å; Q490-L522 HydrophobicContact CB-CD1 3.93Å; Q490-L522 HydrophobicContact CB-CD2 3.96Å; Q490-L522 HydrophobicContact CB-CG 3.83Å; T497-L522 HydrophobicContact CG2-CD1 4.38Å; V520-L522 PolarHBondContact O-N 2.89Å; L522-A524 PolarHBondContact O-N 3Å
523	T	69.4	Low	79.4	Confident	92 Å²	92	83.8 Å²	83.8	56%	0.564	49%	0.491	S	S	*	.			trans	-66.9	97.5	-173.8	-51.5	0	0	0	0	111	L521 S525	L521-T523 PolarHBondContact O-N 2.64Å; L521-T523 VanDerWaalsContact O-N 3.07Å; L521-T523 PolarHBondContact O-OG1 3.16Å; T523-S525 WeakPolarHBondContact CG2-OG 3.36Å; T523-S525 PolarHBondContact O-N 3.35Å
524	A	59.3	Low	79.3	Confident	91 Å²	91	82.7 Å²	82.7	75%	0.752	48%	0.482	S	S	*	.			trans	-72.3	43.3	174.5	0	0	0	0	0	113.1	L522	L522-A524 PolarHBondContact O-N 3Å
525	S	50.7	Low	79.2	Confident	76 Å²	76	80.7 Å²	80.7	53%	0.531	47%	0.474	S	S	.	.			trans	-159	112.2	171.6	58	0	0	0	0	109.9	T523	T523-S525 WeakPolarHBondContact CG2-OG 3.36Å; T523-S525 PolarHBondContact O-N 3.35Å
526	K	52.8	Low	79.1	Confident	198 Å²	198	79.9 Å²	79.9	86%	0.861	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-54.7	135.6	140.9	-65.4	-177.6	179.3	-177.3	0	105.8	R528	K526-R528 PolarHBondContact O-N 2.66Å
527	P	55.1	Low	79.1	Confident	120 Å²	120	76.1 Å²	76.1	78%	0.779	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-54.4	122.1	173	23.6	-32.3	0	0	0	107.5	A529	P527-A529 PolarHBondContact O-N 3.1Å
528	R	61.5	Low	79	Confident	235 Å²	235	85 Å²	85	89%	0.887	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-57.9	125.7	176.7	177.6	178.1	-79.9	172	-8.1	106.1	K526	K526-R528 PolarHBondContact O-N 2.66Å
529	A	71.6	Confident	79	Confident	78 Å²	78	87.5 Å²	87.5	65%	0.645	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-49.6	135.6	-179.6	0	0	0	0	0	109.1	P527 T531	P527-A529 PolarHBondContact O-N 3.1Å; A529-T531 PolarHBondContact O-N 3.02Å
530	P	76.6	Confident	78.8	Confident	90 Å²	90	89.9 Å²	89.9	58%	0.584	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-52	139.4	179.7	-25	33.7	0	0	0	109.9	A534	P530-A534 HydrophobicContact CB-CB 4.25Å
531	T	85.2	Confident	78.7	Confident	82 Å²	82	90 Å²	90	50%	0.503	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.7	173.5	57.6	0	0	0	0	108.7	A529 F533 A534 T535	A529-T531 PolarHBondContact O-N 3.02Å; T531-F533 PolarHBondContact O-N 3.08Å; T531-A534 WeakPolarHBondContact O-CA 3.39Å; T531-A534 WeakPolarHBondContact O-CB 3.45Å; T531-A534 PolarHBondContact O-N 2.8Å; T531-A534 WeakPolarHBondContact OG1-CB 3.35Å; T531-A534 PolarHBondContact OG1-N 3.04Å; T531-T535 PolarHBondContact O-N 3.04Å; T531-T535 PolarHBondContact O-OG1 2.84Å
532	P	86.4	Confident	78.6	Confident	97 Å²	97	90.4 Å²	90.4	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-53.5	-32.8	179.7	-29.1	36.4	0	0	0	113	F536 F564	P532-F536 WeakPolarHBondContact O-CB 3.41Å; P532-F536 PolarHBondContact O-N 3.26Å; P532-F564 HydrophobicContact CB-CE2 4.18Å; P532-F564 HydrophobicContact CB-CZ 4.01Å
533	F	87.3	Confident	78.7	Confident	62 Å²	62	90.9 Å²	90.9	27%	0.272	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-44	170.8	-178.9	-121.1	0	0	0	113.7	T531 T535 F536 V537 S561 F564	T531-F533 PolarHBondContact O-N 3.08Å; F533-T535 VanDerWaalsContact C-N 3.31Å; F533-T535 PolarHBondContact O-N 3.44Å; F533-F536 PolarHBondContact O-N 3.32Å; F533-V537 HydrophobicContact CD1-CG2 4.38Å; F533-V537 HydrophobicContact CD2-CG2 3.99Å; F533-V537 HydrophobicContact CE1-CG2 3.95Å; F533-V537 HydrophobicContact CE2-CG2 3.52Å; F533-V537 HydrophobicContact CG-CG2 4.4Å; F533-V537 HydrophobicContact CZ-CG2 3.51Å; F533-V537 WeakPolarHBondContact O-CB 3.24Å; F533-V537 WeakPolarHBondContact O-CG2 3.36Å; F533-V537 PolarHBondContact O-N 2.91Å; F533-S561 WeakPolarHBondContact CZ-OG 3.45Å; F533-F564 HydrophobicContact CB-CD1 4.1Å; F533-F564 HydrophobicContact CB-CD2 4.49Å; F533-F564 HydrophobicContact CB-CE1 3.91Å; F533-F564 HydrophobicContact CB-CE2 4.3Å; F533-F564 HydrophobicContact CB-CG 4.4Å; F533-F564 HydrophobicContact CB-CZ 4.02Å; F533-F564 HydrophobicContact CD2-CB 3.72Å; F533-F564 AromaticContact CD2-CD1 3.72Å; F533-F564 HydrophobicContact CD2-CD1 3.72Å; F533-F564 HydrophobicContact CD2-CD2 4.12Å; F533-F564 HydrophobicContact CD2-CE1 4.39Å; F533-F564 AromaticContact CD2-CG 3.57Å; F533-F564 HydrophobicContact CD2-CG 3.57Å; F533-F564 HydrophobicContact CE2-CB 4.02Å; F533-F564 HydrophobicContact CE2-CG 4.36Å; F533-F564 HydrophobicContact CG-CD1 4.27Å; F533-F564 HydrophobicContact CG-CG 4.44Å
534	A	87.5	Confident	79.6	Confident	44 Å²	44	86.7 Å²	86.7	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-64.8	-34.8	176.6	0	0	0	0	0	112.4	P530 T531 K538	P530-A534 HydrophobicContact CB-CB 4.25Å; T531-A534 WeakPolarHBondContact O-CA 3.39Å; T531-A534 WeakPolarHBondContact O-CB 3.45Å; T531-A534 PolarHBondContact O-N 2.8Å; T531-A534 WeakPolarHBondContact OG1-CB 3.35Å; T531-A534 PolarHBondContact OG1-N 3.04Å; A534-K538 WeakPolarHBondContact O-CB 3.37Å; A534-K538 PolarHBondContact O-N 3.32Å
535	T	89.3	Confident	80.9	Confident	53 Å²	53	90.1 Å²	90.1	33%	0.325	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-51.5	169.9	-54.1	0	0	0	0	110.7	T531 F533 V537 K538 E539	T531-T535 PolarHBondContact O-N 3.04Å; T531-T535 PolarHBondContact O-OG1 2.84Å; F533-T535 VanDerWaalsContact C-N 3.31Å; F533-T535 PolarHBondContact O-N 3.44Å; T535-V537 PolarHBondContact O-N 3.48Å; T535-K538 WeakPolarHBondContact O-CB 3.43Å; T535-K538 PolarHBondContact O-N 3.15Å; T535-K538 VanDerWaalsContact O-N 3.1Å; T535-E539 WeakPolarHBondContact CG2-OE1 3.41Å; T535-E539 WeakPolarHBondContact O-CG 3.48Å; T535-E539 PolarHBondContact O-N 3.47Å
536	F	90.4	Very high	82.7	Confident	15 Å²	15	94.1 Å²	94.1	7%	0.066	50%	0.496	C	S	.	.	H	α-helix	trans	-58.2	-44.4	178.7	178.6	-93.4	0	0	0	112.8	P532 F533 E539 N540 L560 D563 F564 K567	P532-F536 WeakPolarHBondContact O-CB 3.41Å; P532-F536 PolarHBondContact O-N 3.26Å; F533-F536 PolarHBondContact O-N 3.32Å; F536-E539 PolarHBondContact O-N 2.94Å; F536-N540 VanDerWaalsContact CD2-ND2 3.35Å; F536-N540 WeakPolarHBondContact CD2-ND2 3.35Å; F536-N540 HydrophobicContact CE1-CB 4.38Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.39Å; F536-N540 HydrophobicContact CZ-CB 4.31Å; F536-N540 WeakPolarHBondContact O-CB 3.34Å; F536-N540 PolarHBondContact O-N 3.39Å; F536-N540 PolarHBondContact O-ND2 3.37Å; F536-L560 HydrophobicContact CE1-CB 4.47Å; F536-L560 HydrophobicContact CE1-CD2 4.03Å; F536-L560 WeakPolarHBondContact CE1-O 3.34Å; F536-D563 HydrophobicContact CE1-CB 4.11Å; F536-D563 HydrophobicContact CZ-CB 3.87Å; F536-F564 HydrophobicContact CB-CD2 3.66Å; F536-F564 HydrophobicContact CB-CE2 4.14Å; F536-F564 HydrophobicContact CD1-CB 3.75Å; F536-F564 AromaticContact CD1-CD2 3.97Å; F536-F564 HydrophobicContact CD1-CD2 3.97Å; F536-F564 HydrophobicContact CD1-CG 4.3Å; F536-F564 HydrophobicContact CD2-CD2 4.2Å; F536-F564 HydrophobicContact CE1-CB 3.88Å; F536-F564 HydrophobicContact CG-CB 4.3Å; F536-F564 AromaticContact CG-CD2 3.67Å; F536-F564 HydrophobicContact CG-CD2 3.67Å; F536-F564 HydrophobicContact CG-CG 4.44Å; F536-K567 HydrophobicContact CD2-CD 4.05Å; F536-K567 HydrophobicContact CE2-CD 3.74Å
537	V	92.3	Very high	84.2	Confident	22 Å²	22	91 Å²	91	13%	0.133	49%	0.485	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174.1	168	0	0	0	0	110.2	F533 T535 E539 N540 Y541 M557 L560	F533-V537 HydrophobicContact CD1-CG2 4.38Å; F533-V537 HydrophobicContact CD2-CG2 3.99Å; F533-V537 HydrophobicContact CE1-CG2 3.95Å; F533-V537 HydrophobicContact CE2-CG2 3.52Å; F533-V537 HydrophobicContact CG-CG2 4.4Å; F533-V537 HydrophobicContact CZ-CG2 3.51Å; F533-V537 WeakPolarHBondContact O-CB 3.24Å; F533-V537 WeakPolarHBondContact O-CG2 3.36Å; F533-V537 PolarHBondContact O-N 2.91Å; T535-V537 PolarHBondContact O-N 3.48Å; V537-E539 VanDerWaalsContact C-N 3.26Å; V537-E539 PolarHBondContact O-N 3.47Å; V537-N540 PolarHBondContact O-N 3.29Å; V537-Y541 WeakPolarHBondContact O-CB 3.3Å; V537-Y541 PolarHBondContact O-N 2.92Å; V537-M557 HydrophobicContact CG1-CE 4.26Å; V537-M557 HydrophobicContact CG1-SD 3.99Å; V537-L560 HydrophobicContact CG1-CD1 4.2Å; V537-L560 HydrophobicContact CG2-CB 4.22Å; V537-L560 HydrophobicContact CG2-CD1 4.34Å
538	K	90.4	Very high	85.5	Confident	186 Å²	186	86.6 Å²	86.6	81%	0.809	46%	0.455	S	S	*	.	H	α-helix	trans	-59.6	-36.7	178.6	-174	-176.5	175.9	-170.6	0	112.7	A534 T535	A534-K538 WeakPolarHBondContact O-CB 3.37Å; A534-K538 PolarHBondContact O-N 3.32Å; T535-K538 WeakPolarHBondContact O-CB 3.43Å; T535-K538 PolarHBondContact O-N 3.15Å; T535-K538 VanDerWaalsContact O-N 3.1Å
539	E	90.7	Very high	86.5	Confident	124 Å²	124	79.2 Å²	79.2	58%	0.579	44%	0.444	S	S	*	.	H	α-helix	trans	-74.9	-41.9	178.7	-71.3	166.9	176.6	0	0	112.8	T535 F536 V537	T535-E539 WeakPolarHBondContact CG2-OE1 3.41Å; T535-E539 WeakPolarHBondContact O-CG 3.48Å; T535-E539 PolarHBondContact O-N 3.47Å; F536-E539 PolarHBondContact O-N 2.94Å; V537-E539 VanDerWaalsContact C-N 3.26Å; V537-E539 PolarHBondContact O-N 3.47Å
540	N	89	Confident	86.9	Confident	53 Å²	53	79.7 Å²	79.7	28%	0.283	46%	0.457	S	S	.	.	H	α-helix	trans	-103.9	-13.4	-166.3	-63.9	-92.8	0	0	0	113.9	F536 V537 G542 S543 A544 L560	F536-N540 VanDerWaalsContact CD2-ND2 3.35Å; F536-N540 WeakPolarHBondContact CD2-ND2 3.35Å; F536-N540 HydrophobicContact CE1-CB 4.38Å; F536-N540 WeakPolarHBondContact CE2-ND2 3.39Å; F536-N540 HydrophobicContact CZ-CB 4.31Å; F536-N540 WeakPolarHBondContact O-CB 3.34Å; F536-N540 PolarHBondContact O-N 3.39Å; F536-N540 PolarHBondContact O-ND2 3.37Å; V537-N540 PolarHBondContact O-N 3.29Å; N540-G542 VanDerWaalsContact C-N 3.3Å; N540-G542 PolarHBondContact O-N 3.32Å; N540-S543 PolarHBondContact O-N 3.28Å; N540-A544 WeakPolarHBondContact O-CB 3.41Å; N540-A544 PolarHBondContact O-N 3.22Å; N540-L560 HydrophobicContact CB-CD2 3.61Å
541	Y	90	Very high	87.3	Confident	62 Å²	62	79.9 Å²	79.9	24%	0.243	45%	0.45	C	S	.	.	H	α-helix	trans	-62	-32.7	-177	177.1	-89	0	0	0	113.8	V537 R545 H553 V556 M557 L560	V537-Y541 WeakPolarHBondContact O-CB 3.3Å; V537-Y541 PolarHBondContact O-N 2.92Å; Y541-R545 HydrophobicContact CE1-CB 4.49Å; Y541-R545 WeakPolarHBondContact O-CB 3.49Å; Y541-R545 PolarHBondContact O-N 3.2Å; Y541-H553 AromaticContact CE2-CD2 3.98Å; Y541-H553 PolarHBondContact OH-CD2 2.83Å; Y541-V556 HydrophobicContact CD2-CG1 3.72Å; Y541-V556 HydrophobicContact CE2-CB 4.36Å; Y541-V556 HydrophobicContact CE2-CG1 3.72Å; Y541-M557 HydrophobicContact CD2-SD 4.3Å; Y541-M557 HydrophobicContact CE2-SD 4.49Å; Y541-L560 HydrophobicContact CD2-CD1 3.8Å; Y541-L560 HydrophobicContact CG-CD1 4.34Å
542	G	89.1	Confident	87.6	Confident	49 Å²	49	79 Å²	79	51%	0.505	45%	0.446	S	S	.	.	H	α-helix	trans	-59.2	-55.2	174	0	0	0	0	0	111.6	N540 R545 Q546	N540-G542 VanDerWaalsContact C-N 3.3Å; N540-G542 PolarHBondContact O-N 3.32Å; G542-R545 PolarHBondContact O-N 3.34Å; G542-Q546 PolarHBondContact O-N 2.77Å; G542-Q546 VanDerWaalsContact O-N 3.1Å
543	S	88.1	Confident	87.6	Confident	79 Å²	79	79.8 Å²	79.8	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-62.3	-47.9	178.3	-47	0	0	0	0	112.1	N540 R545 Q546 E547	N540-S543 PolarHBondContact O-N 3.28Å; S543-R545 VanDerWaalsContact C-N 3.3Å; S543-R545 PolarHBondContact O-N 3.4Å; S543-Q546 PolarHBondContact O-N 3.13Å; S543-Q546 VanDerWaalsContact O-N 3.07Å; S543-E547 WeakPolarHBondContact O-CB 3.33Å; S543-E547 PolarHBondContact O-N 3.28Å
544	A	87.4	Confident	87.7	Confident	5 Å²	5	80 Å²	80	4%	0.041	46%	0.455	C	S	.	.	H	α-helix	trans	-63.5	-33.6	-179.3	0	0	0	0	0	112.8	N540 L548 V556 L560	N540-A544 WeakPolarHBondContact O-CB 3.41Å; N540-A544 PolarHBondContact O-N 3.22Å; A544-L548 VanDerWaalsContact O-CB 3.27Å; A544-L548 WeakPolarHBondContact O-CB 3.48Å; A544-L548 WeakPolarHBondContact O-CG 3.44Å; A544-L548 PolarHBondContact O-N 3.18Å; A544-V556 HydrophobicContact CB-CG1 3.95Å; A544-L560 HydrophobicContact CB-CD1 4.42Å; A544-L560 HydrophobicContact CB-CD2 3.78Å; A544-L560 HydrophobicContact CB-CG 4.01Å
545	R	88.3	Confident	87.9	Confident	162 Å²	162	81 Å²	81	61%	0.611	45%	0.452	S	S	*	.	H	α-helix	trans	-72.7	-31	173.6	-172.4	-176.3	-175.7	-153.3	1.6	112.8	Y541 G542 S543 L548 A549 V556	Y541-R545 HydrophobicContact CE1-CB 4.49Å; Y541-R545 WeakPolarHBondContact O-CB 3.49Å; Y541-R545 PolarHBondContact O-N 3.2Å; G542-R545 PolarHBondContact O-N 3.34Å; S543-R545 VanDerWaalsContact C-N 3.3Å; S543-R545 PolarHBondContact O-N 3.4Å; R545-L548 CarbonylContact O-C 3.48Å; R545-A549 PolarHBondContact O-N 3.36Å; R545-V556 HydrophobicContact CB-CG1 4.37Å
546	Q	87.2	Confident	87.9	Confident	161 Å²	161	78.6 Å²	78.6	75%	0.752	44%	0.437	S	S	*	.	H	α-helix	trans	-78.1	-35.6	177.5	-174.3	171.7	-3.7	0	0	112.1	G542 S543 A549	G542-Q546 PolarHBondContact O-N 2.77Å; G542-Q546 VanDerWaalsContact O-N 3.1Å; S543-Q546 PolarHBondContact O-N 3.13Å; S543-Q546 VanDerWaalsContact O-N 3.07Å; Q546-A549 WeakPolarHBondContact O-CB 3.19Å
547	E	84.9	Confident	87.9	Confident	131 Å²	131	80.6 Å²	80.6	61%	0.612	45%	0.447	S	S	*	.	H	α-helix	trans	-71.5	-41.8	174	-166.7	-164.3	155.3	0	0	111.7	S543 A549 K559	S543-E547 WeakPolarHBondContact O-CB 3.33Å; S543-E547 PolarHBondContact O-N 3.28Å; E547-A549 VanDerWaalsContact C-N 3.25Å; E547-A549 PolarHBondContact O-N 3.17Å; E547-K559 IonicContact OE1-NZ 2.67Å; E547-K559 PolarHBondContact OE1-NZ 3.45Å; E547-K559 IonicContact OE2-NZ 2.65Å; E547-K559 PolarHBondContact OE2-NZ 3Å
548	L	82.6	Confident	88	Confident	29 Å²	29	86.1 Å²	86.1	15%	0.152	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	40.3	174.6	-55.4	178.9	0	0	0	112	A544 R545 G550 Q551 V556 K559	A544-L548 VanDerWaalsContact O-CB 3.27Å; A544-L548 WeakPolarHBondContact O-CB 3.48Å; A544-L548 WeakPolarHBondContact O-CG 3.44Å; A544-L548 PolarHBondContact O-N 3.18Å; R545-L548 CarbonylContact O-C 3.48Å; L548-G550 PolarHBondContact O-N 3.35Å; L548-Q551 HydrophobicContact CB-CB 4.16Å; L548-Q551 HydrophobicContact CB-CG 4.2Å; L548-Q551 WeakPolarHBondContact O-CB 3.3Å; L548-Q551 PolarHBondContact O-N 3.39Å; L548-V556 HydrophobicContact CB-CG2 4.27Å; L548-V556 HydrophobicContact CD1-CG2 4.25Å; L548-K559 HydrophobicContact CD1-CB 3.91Å; L548-K559 HydrophobicContact CD1-CD 3.8Å; L548-K559 HydrophobicContact CD1-CG 4.43Å; L548-K559 HydrophobicContact CD2-CD 4.37Å; L548-K559 HydrophobicContact CG-CD 4.25Å
549	A	82	Confident	88	Confident	79 Å²	79	79.6 Å²	79.6	65%	0.653	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123.7	-178.4	0	0	0	0	0	111.6	R545 Q546 E547	R545-A549 PolarHBondContact O-N 3.36Å; Q546-A549 WeakPolarHBondContact O-CB 3.19Å; E547-A549 VanDerWaalsContact C-N 3.25Å; E547-A549 PolarHBondContact O-N 3.17Å
550	G	80.8	Confident	88.1	Confident	89 Å²	89	73.7 Å²	73.7	92%	0.918	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-9.7	-177	0	0	0	0	0	115.4	L548	L548-G550 PolarHBondContact O-N 3.35Å
551	Q	85.6	Confident	88.2	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	41%	0.414	S	S	.	.	S	Bend	trans	-82.4	164.5	175.5	-60.6	-170.2	-1.9	0	0	113	L548 E555	L548-Q551 HydrophobicContact CB-CB 4.16Å; L548-Q551 HydrophobicContact CB-CG 4.2Å; L548-Q551 WeakPolarHBondContact O-CB 3.3Å; L548-Q551 PolarHBondContact O-N 3.39Å; Q551-E555 HydrophobicContact CB-CB 4.32Å
552	S	89.8	Confident	88.3	Confident	62 Å²	62	74.5 Å²	74.5	43%	0.434	43%	0.426	S	S	.	.			trans	-71.1	152.3	-179.8	77.5	0	0	0	0	112.5	A554 E555 V556	S552-A554 PolarHBondContact O-N 3.14Å; S552-E555 WeakPolarHBondContact O-CB 3.4Å; S552-E555 PolarHBondContact O-N 3.5Å; S552-E555 PolarHBondContact OG-N 3.04Å; S552-V556 PolarHBondContact O-N 2.65Å
553	H	87.4	Confident	88.3	Confident	115 Å²	115	74.9 Å²	74.9	53%	0.532	42%	0.416	S	S	.	.	H	α-helix	trans	-53	-37.2	172.6	176.7	-83.5	0	0	0	112.7	Y541 E555 V556 M557	Y541-H553 AromaticContact CE2-CD2 3.98Å; Y541-H553 PolarHBondContact OH-CD2 2.83Å; H553-E555 PolarHBondContact O-N 3.09Å; H553-V556 PolarHBondContact O-N 3.49Å; H553-M557 VanDerWaalsContact CE1-CG 3.49Å; H553-M557 WeakPolarHBondContact CE1-CG 3.39Å; H553-M557 WeakPolarHBondContact O-CB 3.31Å; H553-M557 VanDerWaalsContact O-CG 3.31Å; H553-M557 WeakPolarHBondContact O-CG 3.47Å; H553-M557 PolarHBondContact O-N 3.16Å
554	A	90	Very high	88.5	Confident	67 Å²	67	73.3 Å²	73.3	55%	0.554	40%	0.4	S	S	*	.	H	α-helix	trans	-64.1	-29.9	177.5	0	0	0	0	0	112.7	S552 R558	S552-A554 PolarHBondContact O-N 3.14Å; A554-R558 VanDerWaalsContact O-CB 3.29Å; A554-R558 WeakPolarHBondContact O-CB 3.37Å; A554-R558 PolarHBondContact O-N 3.47Å
555	E	89.9	Confident	88.6	Confident	64 Å²	64	75 Å²	75	30%	0.299	41%	0.414	S	S	.	.	H	α-helix	trans	-79.1	-40.9	178.5	-151.7	130.8	-148.4	0	0	111.9	Q551 S552 H553 M557 R558 K559	Q551-E555 HydrophobicContact CB-CB 4.32Å; S552-E555 WeakPolarHBondContact O-CB 3.4Å; S552-E555 PolarHBondContact O-N 3.5Å; S552-E555 PolarHBondContact OG-N 3.04Å; H553-E555 PolarHBondContact O-N 3.09Å; E555-M557 VanDerWaalsContact C-N 3.33Å; E555-M557 PolarHBondContact O-N 3.1Å; E555-R558 PolarHBondContact O-N 2.96Å; E555-R558 IonicContact OE1-CZ 3.23Å; E555-R558 IonicContact OE1-NH1 2.84Å; E555-R558 PolarHBondContact OE1-NH1 3.48Å; E555-R558 IonicContact OE1-NH2 2.64Å; E555-R558 PolarHBondContact OE1-NH2 2.65Å; E555-R558 IonicContact OE2-NH2 2.64Å; E555-K559 PolarHBondContact O-N 3.42Å
556	V	90.6	Very high	88.6	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.012	41%	0.406	C	S	.	.	H	α-helix	trans	-58.2	-45.6	170.6	-178.1	0	0	0	0	110.8	Y541 A544 R545 L548 S552 H553 K559 L560	Y541-V556 HydrophobicContact CD2-CG1 3.72Å; Y541-V556 HydrophobicContact CE2-CB 4.36Å; Y541-V556 HydrophobicContact CE2-CG1 3.72Å; A544-V556 HydrophobicContact CB-CG1 3.95Å; R545-V556 HydrophobicContact CB-CG1 4.37Å; L548-V556 HydrophobicContact CB-CG2 4.27Å; L548-V556 HydrophobicContact CD1-CG2 4.25Å; S552-V556 PolarHBondContact O-N 2.65Å; H553-V556 PolarHBondContact O-N 3.49Å; V556-K559 PolarHBondContact O-N 2.99Å; V556-L560 HydrophobicContact CG1-CD1 4.06Å; V556-L560 VanDerWaalsContact O-CG 3.3Å; V556-L560 WeakPolarHBondContact O-CG 3.43Å; V556-L560 PolarHBondContact O-N 3.27Å
557	M	90.9	Very high	88.5	Confident	57 Å²	57	68.7 Å²	68.7	28%	0.281	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-34.6	176.5	-68.5	-65	-75.2	0	0	112.8	V537 Y541 H553 E555 L560 S561	V537-M557 HydrophobicContact CG1-CE 4.26Å; V537-M557 HydrophobicContact CG1-SD 3.99Å; Y541-M557 HydrophobicContact CD2-SD 4.3Å; Y541-M557 HydrophobicContact CE2-SD 4.49Å; H553-M557 VanDerWaalsContact CE1-CG 3.49Å; H553-M557 WeakPolarHBondContact CE1-CG 3.39Å; H553-M557 WeakPolarHBondContact O-CB 3.31Å; H553-M557 VanDerWaalsContact O-CG 3.31Å; H553-M557 WeakPolarHBondContact O-CG 3.47Å; H553-M557 PolarHBondContact O-N 3.16Å; E555-M557 VanDerWaalsContact C-N 3.33Å; E555-M557 PolarHBondContact O-N 3.1Å; M557-L560 HydrophobicContact SD-CD1 4.32Å; M557-S561 WeakPolarHBondContact O-CB 3.41Å; M557-S561 PolarHBondContact O-N 3.35Å; M557-S561 PolarHBondContact O-OG 3.44Å
558	R	92.4	Very high	88.4	Confident	139 Å²	139	65.1 Å²	65.1	53%	0.525	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-45.7	172.9	165.4	158	42.2	92.3	-6.2	111.3	A554 E555 S561 T562	A554-R558 VanDerWaalsContact O-CB 3.29Å; A554-R558 WeakPolarHBondContact O-CB 3.37Å; A554-R558 PolarHBondContact O-N 3.47Å; E555-R558 PolarHBondContact O-N 2.96Å; E555-R558 IonicContact OE1-CZ 3.23Å; E555-R558 IonicContact OE1-NH1 2.84Å; E555-R558 PolarHBondContact OE1-NH1 3.48Å; E555-R558 IonicContact OE1-NH2 2.64Å; E555-R558 PolarHBondContact OE1-NH2 2.65Å; E555-R558 IonicContact OE2-NH2 2.64Å; R558-S561 WeakPolarHBondContact O-CB 3.35Å; R558-S561 PolarHBondContact O-N 3.36Å; R558-T562 PolarHBondContact O-N 3.42Å; R558-T562 VanDerWaalsContact O-N 3.09Å; R558-T562 PolarHBondContact O-OG1 3.15Å
559	K	90.9	Very high	88.2	Confident	48 Å²	48	70.5 Å²	70.5	21%	0.209	41%	0.405	C	S	.	.	H	α-helix	trans	-60.9	-49.7	174.7	-178	175.4	179.7	-176.7	0	111.7	E547 L548 E555 V556 S561 T562 D563	E547-K559 IonicContact OE1-NZ 2.67Å; E547-K559 PolarHBondContact OE1-NZ 3.45Å; E547-K559 IonicContact OE2-NZ 2.65Å; E547-K559 PolarHBondContact OE2-NZ 3Å; L548-K559 HydrophobicContact CD1-CB 3.91Å; L548-K559 HydrophobicContact CD1-CD 3.8Å; L548-K559 HydrophobicContact CD1-CG 4.43Å; L548-K559 HydrophobicContact CD2-CD 4.37Å; L548-K559 HydrophobicContact CG-CD 4.25Å; E555-K559 PolarHBondContact O-N 3.42Å; V556-K559 PolarHBondContact O-N 2.99Å; K559-S561 PolarHBondContact O-N 2.84Å; K559-S561 VanDerWaalsContact O-N 3.12Å; K559-T562 WeakPolarHBondContact CA-OG1 3.31Å; K559-T562 PolarHBondContact O-N 2.87Å; K559-T562 PolarHBondContact O-OG1 3.33Å; K559-D563 VanDerWaalsContact CE-OD2 3.25Å; K559-D563 WeakPolarHBondContact CE-OD2 3.48Å; K559-D563 WeakPolarHBondContact CG-OD2 3.39Å; K559-D563 WeakPolarHBondContact O-CB 3.37Å; K559-D563 PolarHBondContact O-N 3.25Å
560	L	93	Very high	87.6	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-58.4	-30.6	177.3	-69.3	167.1	0	0	0	112.7	F536 V537 N540 Y541 A544 V556 M557 F564	F536-L560 HydrophobicContact CE1-CB 4.47Å; F536-L560 HydrophobicContact CE1-CD2 4.03Å; F536-L560 WeakPolarHBondContact CE1-O 3.34Å; V537-L560 HydrophobicContact CG1-CD1 4.2Å; V537-L560 HydrophobicContact CG2-CB 4.22Å; V537-L560 HydrophobicContact CG2-CD1 4.34Å; N540-L560 HydrophobicContact CB-CD2 3.61Å; Y541-L560 HydrophobicContact CD2-CD1 3.8Å; Y541-L560 HydrophobicContact CG-CD1 4.34Å; A544-L560 HydrophobicContact CB-CD1 4.42Å; A544-L560 HydrophobicContact CB-CD2 3.78Å; A544-L560 HydrophobicContact CB-CG 4.01Å; V556-L560 HydrophobicContact CG1-CD1 4.06Å; V556-L560 VanDerWaalsContact O-CG 3.3Å; V556-L560 WeakPolarHBondContact O-CG 3.43Å; V556-L560 PolarHBondContact O-N 3.27Å; M557-L560 HydrophobicContact SD-CD1 4.32Å; L560-F564 VanDerWaalsContact O-CB 3.27Å; L560-F564 WeakPolarHBondContact O-CB 3.41Å; L560-F564 PolarHBondContact O-N 3.06Å
561	S	91.3	Very high	86.5	Confident	54 Å²	54	72.5 Å²	72.5	38%	0.378	40%	0.398	S	S	.	.	H	α-helix	trans	-70.3	-42	174.4	-55.7	0	0	0	0	112.6	F533 M557 R558 K559 A565	F533-S561 WeakPolarHBondContact CZ-OG 3.45Å; M557-S561 WeakPolarHBondContact O-CB 3.41Å; M557-S561 PolarHBondContact O-N 3.35Å; M557-S561 PolarHBondContact O-OG 3.44Å; R558-S561 WeakPolarHBondContact O-CB 3.35Å; R558-S561 PolarHBondContact O-N 3.36Å; K559-S561 PolarHBondContact O-N 2.84Å; K559-S561 VanDerWaalsContact O-N 3.12Å; S561-A565 VanDerWaalsContact O-CB 3.31Å; S561-A565 WeakPolarHBondContact O-CB 3.47Å; S561-A565 PolarHBondContact O-N 3.01Å
562	T	91.8	Very high	85.1	Confident	78 Å²	78	75.9 Å²	75.9	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-69.3	-38.2	175.3	49.7	0	0	0	0	112.4	R558 K559 A565 S566	R558-T562 PolarHBondContact O-N 3.42Å; R558-T562 VanDerWaalsContact O-N 3.09Å; R558-T562 PolarHBondContact O-OG1 3.15Å; K559-T562 WeakPolarHBondContact CA-OG1 3.31Å; K559-T562 PolarHBondContact O-N 2.87Å; K559-T562 PolarHBondContact O-OG1 3.33Å; T562-A565 PolarHBondContact O-N 3.41Å; T562-S566 WeakPolarHBondContact O-CB 3.47Å; T562-S566 PolarHBondContact O-N 3.22Å; T562-S566 PolarHBondContact O-OG 3.33Å
563	D	89.3	Confident	82.9	Confident	57 Å²	57	80.6 Å²	80.6	31%	0.305	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-43.1	-180	-61.3	-3.6	0	0	0	110.3	F536 K559 S566 K567	F536-D563 HydrophobicContact CE1-CB 4.11Å; F536-D563 HydrophobicContact CZ-CB 3.87Å; K559-D563 VanDerWaalsContact CE-OD2 3.25Å; K559-D563 WeakPolarHBondContact CE-OD2 3.48Å; K559-D563 WeakPolarHBondContact CG-OD2 3.39Å; K559-D563 WeakPolarHBondContact O-CB 3.37Å; K559-D563 PolarHBondContact O-N 3.25Å; D563-S566 PolarHBondContact O-N 3.02Å; D563-K567 WeakPolarHBondContact O-CB 3.32Å; D563-K567 PolarHBondContact O-N 3.13Å
564	F	91.8	Very high	82.7	Confident	47 Å²	47	78.9 Å²	78.9	21%	0.206	44%	0.443	C	S	.	.	H	α-helix	trans	-62.3	-47.9	173.2	-177.1	-101.9	0	0	0	112.2	P532 F533 F536 L560 S566 K567 T568	P532-F564 HydrophobicContact CB-CE2 4.18Å; P532-F564 HydrophobicContact CB-CZ 4.01Å; F533-F564 HydrophobicContact CB-CD1 4.1Å; F533-F564 HydrophobicContact CB-CD2 4.49Å; F533-F564 HydrophobicContact CB-CE1 3.91Å; F533-F564 HydrophobicContact CB-CE2 4.3Å; F533-F564 HydrophobicContact CB-CG 4.4Å; F533-F564 HydrophobicContact CB-CZ 4.02Å; F533-F564 HydrophobicContact CD2-CB 3.72Å; F533-F564 AromaticContact CD2-CD1 3.72Å; F533-F564 HydrophobicContact CD2-CD1 3.72Å; F533-F564 HydrophobicContact CD2-CD2 4.12Å; F533-F564 HydrophobicContact CD2-CE1 4.39Å; F533-F564 AromaticContact CD2-CG 3.57Å; F533-F564 HydrophobicContact CD2-CG 3.57Å; F533-F564 HydrophobicContact CE2-CB 4.02Å; F533-F564 HydrophobicContact CE2-CG 4.36Å; F533-F564 HydrophobicContact CG-CD1 4.27Å; F533-F564 HydrophobicContact CG-CG 4.44Å; F536-F564 HydrophobicContact CB-CD2 3.66Å; F536-F564 HydrophobicContact CB-CE2 4.14Å; F536-F564 HydrophobicContact CD1-CB 3.75Å; F536-F564 AromaticContact CD1-CD2 3.97Å; F536-F564 HydrophobicContact CD1-CD2 3.97Å; F536-F564 HydrophobicContact CD1-CG 4.3Å; F536-F564 HydrophobicContact CD2-CD2 4.2Å; F536-F564 HydrophobicContact CE1-CB 3.88Å; F536-F564 HydrophobicContact CG-CB 4.3Å; F536-F564 AromaticContact CG-CD2 3.67Å; F536-F564 HydrophobicContact CG-CD2 3.67Å; F536-F564 HydrophobicContact CG-CG 4.44Å; L560-F564 VanDerWaalsContact O-CB 3.27Å; L560-F564 WeakPolarHBondContact O-CB 3.41Å; L560-F564 PolarHBondContact O-N 3.06Å; F564-S566 PolarHBondContact O-N 3Å; F564-K567 PolarHBondContact O-N 3Å; F564-K567 VanDerWaalsContact O-N 3.12Å; F564-T568 HydrophobicContact CD1-CG2 4.18Å; F564-T568 HydrophobicContact CE1-CG2 3.68Å; F564-T568 HydrophobicContact CE2-CG2 4.16Å; F564-T568 HydrophobicContact CZ-CG2 3.66Å; F564-T568 PolarHBondContact O-N 3.24Å; F564-T568 PolarHBondContact O-OG1 3.39Å
565	A	89.8	Confident	82.3	Confident	41 Å²	41	79.5 Å²	79.5	34%	0.339	44%	0.438	S	S	.	.	H	α-helix	trans	-65.8	-19.2	179.1	0	0	0	0	0	113.8	S561 T562 T568 K569	S561-A565 VanDerWaalsContact O-CB 3.31Å; S561-A565 WeakPolarHBondContact O-CB 3.47Å; S561-A565 PolarHBondContact O-N 3.01Å; T562-A565 PolarHBondContact O-N 3.41Å; A565-T568 PolarHBondContact O-OG1 3.02Å; A565-K569 WeakPolarHBondContact O-CD 3.33Å; A565-K569 WeakPolarHBondContact O-CG 3.29Å
566	S	88	Confident	81.9	Confident	63 Å²	63	80.4 Å²	80.4	44%	0.441	45%	0.445	S	S	.	.	H	α-helix	trans	-83.1	-43.5	170.8	-55.8	0	0	0	0	110.9	T562 D563 F564 T568 K569 L570	T562-S566 WeakPolarHBondContact O-CB 3.47Å; T562-S566 PolarHBondContact O-N 3.22Å; T562-S566 PolarHBondContact O-OG 3.33Å; D563-S566 PolarHBondContact O-N 3.02Å; F564-S566 PolarHBondContact O-N 3Å; S566-T568 VanDerWaalsContact C-N 3.34Å; S566-T568 PolarHBondContact O-N 3.22Å; S566-K569 PolarHBondContact O-N 3.21Å; S566-L570 WeakPolarHBondContact O-CG 3.42Å; S566-L570 PolarHBondContact O-N 2.91Å
567	K	85.7	Confident	81.4	Confident	126 Å²	126	85 Å²	85	55%	0.548	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-34.2	177.2	-171.7	172.9	-178.2	176.8	0	113.1	F536 D563 F564 G571	F536-K567 HydrophobicContact CD2-CD 4.05Å; F536-K567 HydrophobicContact CE2-CD 3.74Å; D563-K567 WeakPolarHBondContact O-CB 3.32Å; D563-K567 PolarHBondContact O-N 3.13Å; F564-K567 PolarHBondContact O-N 3Å; F564-K567 VanDerWaalsContact O-N 3.12Å; K567-G571 PolarHBondContact O-N 2.8Å
568	T	83.8	Confident	80.8	Confident	56 Å²	56	86.8 Å²	86.8	34%	0.344	48%	0.483	S	S	.	.	H	α-helix	trans	-69.1	-44	175.1	53.8	0	0	0	0	112.2	F564 A565 S566 L570 G571 E572	F564-T568 HydrophobicContact CD1-CG2 4.18Å; F564-T568 HydrophobicContact CE1-CG2 3.68Å; F564-T568 HydrophobicContact CE2-CG2 4.16Å; F564-T568 HydrophobicContact CZ-CG2 3.66Å; F564-T568 PolarHBondContact O-N 3.24Å; F564-T568 PolarHBondContact O-OG1 3.39Å; A565-T568 PolarHBondContact O-OG1 3.02Å; S566-T568 VanDerWaalsContact C-N 3.34Å; S566-T568 PolarHBondContact O-N 3.22Å; T568-L570 VanDerWaalsContact C-N 3.29Å; T568-L570 PolarHBondContact O-N 2.71Å; T568-G571 PolarHBondContact O-N 2.82Å; T568-E572 PolarHBondContact O-N 3.1Å
569	K	78.3	Confident	80	Confident	143 Å²	143	83.3 Å²	83.3	62%	0.622	48%	0.48	S	S	*	.	H	α-helix	trans	-61	-37.9	178.2	-69.6	172.4	-176.2	178.1	0	112.5	A565 S566 G571 E572 S573	A565-K569 WeakPolarHBondContact O-CD 3.33Å; A565-K569 WeakPolarHBondContact O-CG 3.29Å; S566-K569 PolarHBondContact O-N 3.21Å; K569-G571 PolarHBondContact O-N 2.7Å; K569-E572 PolarHBondContact O-N 2.92Å; K569-S573 PolarHBondContact O-OG 3.12Å
570	L	67.8	Low	79.2	Confident	144 Å²	144	85.8 Å²	85.8	75%	0.754	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.1	175	-72.5	166.9	0	0	0	114.1	S566 T568	S566-L570 WeakPolarHBondContact O-CG 3.42Å; S566-L570 PolarHBondContact O-N 2.91Å; T568-L570 VanDerWaalsContact C-N 3.29Å; T568-L570 PolarHBondContact O-N 2.71Å
571	G	58.9	Low	78.2	Confident	65 Å²	65	92.4 Å²	92.4	67%	0.67	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-0	173.9	0	0	0	0	0	114.4	K567 T568 K569	K567-G571 PolarHBondContact O-N 2.8Å; T568-G571 PolarHBondContact O-N 2.82Å; K569-G571 PolarHBondContact O-N 2.7Å
572	E	55.9	Low	77.1	Confident	165 Å²	165	95.6 Å²	95.6	77%	0.771	55%	0.551	S	S	*	*			trans	-114.8	9.9	179	-66.1	179.4	145.7	0	0	112.1	T568 K569	T568-E572 PolarHBondContact O-N 3.1Å; K569-E572 PolarHBondContact O-N 2.92Å
573	S	43.9	Very low	75.7	Confident	162 Å²	162	97.2 Å²	97.2	100%	1.133	56%	0.557	S	S	*	*			trans	-119.7	0	178	-55.7	0	0	0	0	111.2	K569	K569-S573 PolarHBondContact O-OG 3.12Å

Retrieved 573 of 573 residues in 851.4 ms (Link to these results)

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