A0A077Z847_TRITR Loading...

Histone acetyltransferase type B catalytic subunit

AlphaFold DB , UniProt , Accession A0A077Z847, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56	Low	76.4	Confident	216 Å²	216	124 Å²	124	100%	1.064	65%	0.651	S	S	*	*				0	-46.5	0	-82.5	-164.7	-91.5	0	0	114	A3 G4 I5	M1-A3 PolarHBondContact O-N 3.37Å; M1-G4 PolarHBondContact O-N 3.36Å; M1-G4 VanDerWaalsContact O-N 3.13Å; M1-I5 PolarHBondContact O-N 2.96Å
2	A	66.4	Low	77.6	Confident	76 Å²	76	123.9 Å²	123.9	63%	0.628	65%	0.645	S	S	*	*	H	α-helix	trans	-55.6	-41.2	-177	0	0	0	0	0	114.9	G4 I5 T6	A2-G4 VanDerWaalsContact C-N 3.3Å; A2-G4 PolarHBondContact O-N 2.63Å; A2-I5 PolarHBondContact O-N 3.5Å; A2-T6 PolarHBondContact O-N 3.44Å; A2-T6 PolarHBondContact O-OG1 3.45Å; A2-T6 VanDerWaalsContact O-OG1 3.13Å
3	A	65.5	Low	78.4	Confident	83 Å²	83	119.5 Å²	119.5	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-62.2	-33.6	178.5	0	0	0	0	0	113.6	M1 L7	M1-A3 PolarHBondContact O-N 3.37Å; A3-L7 PolarHBondContact O-N 3.27Å
4	G	68.4	Low	79	Confident	49 Å²	49	118.3 Å²	118.3	51%	0.505	63%	0.63	S	S	.	*	H	α-helix	trans	-72.8	-35.5	178.8	0	0	0	0	0	113.4	M1 A2 T6 L7 R8	M1-G4 PolarHBondContact O-N 3.36Å; M1-G4 VanDerWaalsContact O-N 3.13Å; A2-G4 VanDerWaalsContact C-N 3.3Å; A2-G4 PolarHBondContact O-N 2.63Å; G4-T6 VanDerWaalsContact C-N 3.34Å; G4-L7 PolarHBondContact O-N 3.3Å; G4-R8 PolarHBondContact O-N 3.4Å; G4-R8 VanDerWaalsContact O-N 3.17Å
5	I	76.2	Confident	79.4	Confident	105 Å²	105	114 Å²	114	54%	0.538	62%	0.617	S	S	.	*	H	α-helix	trans	-65.3	-40.9	175.4	-63	173.1	0	0	0	110.2	M1 A2 R8 K9	M1-I5 PolarHBondContact O-N 2.96Å; A2-I5 PolarHBondContact O-N 3.5Å; I5-R8 PolarHBondContact O-N 3.26Å; I5-K9 PolarHBondContact O-N 2.93Å
6	T	82.6	Confident	79.9	Confident	82 Å²	82	109.2 Å²	109.2	50%	0.503	60%	0.603	S	S	.	*	H	α-helix	trans	-65.4	-38.9	177.8	-49.9	0	0	0	0	112.2	A2 G4 R10	A2-T6 PolarHBondContact O-N 3.44Å; A2-T6 PolarHBondContact O-OG1 3.45Å; A2-T6 VanDerWaalsContact O-OG1 3.13Å; G4-T6 VanDerWaalsContact C-N 3.34Å; T6-R10 PolarHBondContact O-N 3.18Å
7	L	80.8	Confident	80.1	Confident	115 Å²	115	106.2 Å²	106.2	60%	0.602	60%	0.595	S	S	*	*	H	α-helix	trans	-64.4	-44.2	177.4	-146.8	89.5	0	0	0	111.5	A3 G4 R10 M11	A3-L7 PolarHBondContact O-N 3.27Å; G4-L7 PolarHBondContact O-N 3.3Å; L7-R10 PolarHBondContact O-N 2.82Å; L7-M11 WeakPolarHBondContact O-CG 3.26Å; L7-M11 PolarHBondContact O-N 2.88Å
8	R	84.5	Confident	80.1	Confident	184 Å²	184	106.1 Å²	106.1	69%	0.694	59%	0.593	S	S	*	*	H	α-helix	trans	-63.2	-44.5	-179.7	-159.4	175.6	-175.2	172.3	3.5	112.3	G4 I5 R10 M11 E12	G4-R8 PolarHBondContact O-N 3.4Å; G4-R8 VanDerWaalsContact O-N 3.17Å; I5-R8 PolarHBondContact O-N 3.26Å; R8-R10 VanDerWaalsContact C-N 3.33Å; R8-R10 PolarHBondContact O-N 3.2Å; R8-M11 PolarHBondContact O-N 2.83Å; R8-E12 PolarHBondContact O-N 3.36Å
9	K	86.4	Confident	80	Confident	145 Å²	145	109.5 Å²	109.5	63%	0.63	60%	0.601	S	S	*	*	H	α-helix	trans	-60.5	-39.3	174.6	-75.5	-173.7	176.7	-176.5	0	112.7	I5 A13	I5-K9 PolarHBondContact O-N 2.93Å; K9-A13 WeakPolarHBondContact O-CB 3.25Å; K9-A13 PolarHBondContact O-N 3.28Å; K9-A13 VanDerWaalsContact O-N 3.07Å
10	R	86.5	Confident	79.8	Confident	181 Å²	181	111.9 Å²	111.9	68%	0.683	61%	0.605	S	S	*	*	H	α-helix	trans	-64.9	-42.2	174.9	-83	-176.1	171.6	-179	-1.9	112	T6 L7 R8 A13 I14	T6-R10 PolarHBondContact O-N 3.18Å; L7-R10 PolarHBondContact O-N 2.82Å; R8-R10 VanDerWaalsContact C-N 3.33Å; R8-R10 PolarHBondContact O-N 3.2Å; R10-A13 PolarHBondContact O-N 2.81Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.16Å; R10-I14 PolarHBondContact O-N 3.4Å
11	M	87.1	Confident	79.4	Confident	128 Å²	128	115.8 Å²	115.8	63%	0.631	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-41.4	177.7	-70.4	-178.2	72.9	0	0	112.3	L7 R8 I14 A15	L7-M11 WeakPolarHBondContact O-CG 3.26Å; L7-M11 PolarHBondContact O-N 2.88Å; R8-M11 PolarHBondContact O-N 2.83Å; M11-I14 PolarHBondContact O-N 3.29Å; M11-A15 WeakPolarHBondContact O-CB 3.38Å; M11-A15 PolarHBondContact O-N 2.48Å
12	E	90.5	Very high	79.8	Confident	123 Å²	123	114.6 Å²	114.6	58%	0.575	59%	0.594	S	S	*	*	H	α-helix	trans	-63.5	-41.4	175.3	-74.8	171.8	-177.6	0	0	112.1	R8 A15 G16	R8-E12 PolarHBondContact O-N 3.36Å; E12-A15 PolarHBondContact O-N 3.46Å; E12-G16 PolarHBondContact O-N 3.21Å
13	A	88.1	Confident	79.6	Confident	66 Å²	66	114.2 Å²	114.2	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-63.1	-42	175.1	0	0	0	0	0	112.3	K9 R10 G16 A17	K9-A13 WeakPolarHBondContact O-CB 3.25Å; K9-A13 PolarHBondContact O-N 3.28Å; K9-A13 VanDerWaalsContact O-N 3.07Å; R10-A13 PolarHBondContact O-N 2.81Å; A13-G16 PolarHBondContact O-N 2.93Å; A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.1Å
14	I	87.2	Confident	79.6	Confident	103 Å²	103	117.6 Å²	117.6	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-65.1	-43	175.7	-68.4	166.1	0	0	0	110.8	R10 M11 G16 A17 L18	R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.16Å; R10-I14 PolarHBondContact O-N 3.4Å; M11-I14 PolarHBondContact O-N 3.29Å; I14-G16 VanDerWaalsContact C-N 3.35Å; I14-G16 PolarHBondContact O-N 3.5Å; I14-A17 PolarHBondContact O-N 3.36Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 WeakPolarHBondContact O-CB 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 2.89Å
15	A	85.5	Confident	79.2	Confident	54 Å²	54	119.4 Å²	119.4	45%	0.446	60%	0.602	S	S	.	*	H	α-helix	trans	-63.5	-40.1	176.5	0	0	0	0	0	112	M11 E12 L18 K19	M11-A15 WeakPolarHBondContact O-CB 3.38Å; M11-A15 PolarHBondContact O-N 2.48Å; E12-A15 PolarHBondContact O-N 3.46Å; A15-L18 PolarHBondContact O-N 3.43Å; A15-K19 PolarHBondContact O-N 3Å
16	G	87.4	Confident	78.2	Confident	37 Å²	37	122 Å²	122	38%	0.381	61%	0.61	S	S	.	*	H	α-helix	trans	-63.5	-43.7	173.4	0	0	0	0	0	112.6	E12 A13 I14 K19 K20	E12-G16 PolarHBondContact O-N 3.21Å; A13-G16 PolarHBondContact O-N 2.93Å; I14-G16 VanDerWaalsContact C-N 3.35Å; I14-G16 PolarHBondContact O-N 3.5Å; G16-K19 PolarHBondContact O-N 3.44Å; G16-K20 PolarHBondContact O-N 3.21Å
17	A	82.3	Confident	77.1	Confident	58 Å²	58	125.6 Å²	125.6	48%	0.479	62%	0.621	S	S	.	*	H	α-helix	trans	-65.2	-40.6	175.3	0	0	0	0	0	112.1	A13 I14 K20 R21	A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.1Å; I14-A17 PolarHBondContact O-N 3.36Å; A17-K20 PolarHBondContact O-N 2.9Å; A17-R21 VanDerWaalsContact O-CB 3.29Å; A17-R21 WeakPolarHBondContact O-CB 3.21Å; A17-R21 PolarHBondContact O-N 3.17Å
18	L	80.5	Confident	76.5	Confident	105 Å²	105	123.8 Å²	123.8	55%	0.55	62%	0.616	S	S	.	*	H	α-helix	trans	-64.1	-41	173.4	-82.2	164.2	0	0	0	111.7	I14 A15 R21 R22	I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 WeakPolarHBondContact O-CB 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 2.89Å; A15-L18 PolarHBondContact O-N 3.43Å; L18-R21 PolarHBondContact O-N 3.04Å; L18-R22 WeakPolarHBondContact O-CB 3.17Å; L18-R22 PolarHBondContact O-N 2.96Å
19	K	77.6	Confident	76.1	Confident	171 Å²	171	121.1 Å²	121.1	74%	0.743	62%	0.62	S	S	*	*	H	α-helix	trans	-62	-45.2	172.9	-103.6	-176	176.9	179.5	0	111.7	A15 G16 R22 A23	A15-K19 PolarHBondContact O-N 3Å; G16-K19 PolarHBondContact O-N 3.44Å; K19-R22 PolarHBondContact O-N 3.5Å; K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.44Å; K19-A23 PolarHBondContact O-N 3.3Å
20	K	75.6	Confident	75.9	Confident	156 Å²	156	117.5 Å²	117.5	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-61.5	-46.4	174.2	-90.7	-172.9	174.4	-178.5	0	111.5	G16 A17 R22 A23 L24	G16-K20 PolarHBondContact O-N 3.21Å; A17-K20 PolarHBondContact O-N 2.9Å; K20-R22 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 3.46Å; K20-A23 CarbonylContact O-C 3.6Å; K20-A23 PolarHBondContact O-N 3.35Å; K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 WeakPolarHBondContact O-CD1 3.22Å; K20-L24 PolarHBondContact O-N 3.39Å
21	R	73.1	Confident	75.9	Confident	194 Å²	194	112.3 Å²	112.3	73%	0.732	59%	0.592	S	S	*	*	H	α-helix	trans	-64.1	-38.5	178.5	-161.8	177.2	-175.2	-176.5	1.3	111.7	A17 L18 L24 S25	A17-R21 VanDerWaalsContact O-CB 3.29Å; A17-R21 WeakPolarHBondContact O-CB 3.21Å; A17-R21 PolarHBondContact O-N 3.17Å; L18-R21 PolarHBondContact O-N 3.04Å; R21-L24 PolarHBondContact O-N 3.14Å; R21-S25 WeakPolarHBondContact O-CB 3.38Å; R21-S25 PolarHBondContact O-N 2.89Å
22	R	64.4	Low	75.9	Confident	191 Å²	191	115.6 Å²	115.6	72%	0.721	60%	0.597	S	S	*	*	H	α-helix	trans	-70.7	-31.5	174.8	-158.5	173.9	-175.7	-174.3	0.9	111.9	L18 K19 K20 K26	L18-R22 WeakPolarHBondContact O-CB 3.17Å; L18-R22 PolarHBondContact O-N 2.96Å; K19-R22 PolarHBondContact O-N 3.5Å; K20-R22 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 3.46Å; R22-K26 WeakPolarHBondContact O-CG 3.23Å; R22-K26 PolarHBondContact O-N 3.2Å; R22-K26 VanDerWaalsContact O-N 3.08Å
23	A	62.3	Low	75.9	Confident	69 Å²	69	117.5 Å²	117.5	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-73.1	-39.6	171.8	0	0	0	0	0	112.3	K19 K20 S25 K26	K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.44Å; K19-A23 PolarHBondContact O-N 3.3Å; K20-A23 CarbonylContact O-C 3.6Å; K20-A23 PolarHBondContact O-N 3.35Å; A23-S25 VanDerWaalsContact C-N 3.31Å; A23-K26 PolarHBondContact O-N 2.93Å
24	L	64	Low	76	Confident	153 Å²	153	117.1 Å²	117.1	80%	0.801	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-28.2	171.9	-93.3	118.9	0	0	0	112.8	K20 R21	K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 WeakPolarHBondContact O-CD1 3.22Å; K20-L24 PolarHBondContact O-N 3.39Å; R21-L24 PolarHBondContact O-N 3.14Å
25	S	59.9	Low	76.2	Confident	88 Å²	88	116.4 Å²	116.4	62%	0.615	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-11.9	177.3	171.8	0	0	0	0	113.4	R21 A23 E27	R21-S25 WeakPolarHBondContact O-CB 3.38Å; R21-S25 PolarHBondContact O-N 2.89Å; A23-S25 VanDerWaalsContact C-N 3.31Å; S25-E27 VanDerWaalsContact C-N 3.35Å; S25-E27 PolarHBondContact O-N 3.04Å
26	K	56.4	Low	76.6	Confident	160 Å²	160	117.6 Å²	117.6	70%	0.696	58%	0.58	S	S	*	*	S	Bend	trans	-73	98.4	172.6	-87.4	-177.1	179.6	-164.8	0	106.9	R22 A23	R22-K26 WeakPolarHBondContact O-CG 3.23Å; R22-K26 PolarHBondContact O-N 3.2Å; R22-K26 VanDerWaalsContact O-N 3.08Å; A23-K26 PolarHBondContact O-N 2.93Å
27	E	60.1	Low	76.9	Confident	156 Å²	156	118.3 Å²	118.3	73%	0.729	58%	0.579	S	S	*	*			trans	-49.5	138	166.6	-63.3	-171.7	150.8	0	0	108.9	S25 T29	S25-E27 VanDerWaalsContact C-N 3.35Å; S25-E27 PolarHBondContact O-N 3.04Å; E27-T29 PolarHBondContact O-N 3.47Å; E27-T29 PolarHBondContact O-OG1 3.04Å
28	P	66.3	Low	77.5	Confident	77 Å²	77	115.8 Å²	115.8	50%	0.5	56%	0.557	S	S	.	*			trans	-55.5	116.8	175.4	22.5	-31	0	0	0	108	Y30	P28-Y30 HydrophobicContact CB-CE1 4.29Å; P28-Y30 HydrophobicContact CG-CE1 4.46Å; P28-Y30 PolarHBondContact O-N 2.67Å
29	T	77	Confident	78.2	Confident	128 Å²	128	114.2 Å²	114.2	79%	0.785	55%	0.548	S	S	*	.			trans	-83.5	107.6	178.2	-37.6	0	0	0	0	106.8	E27	E27-T29 PolarHBondContact O-N 3.47Å; E27-T29 PolarHBondContact O-OG1 3.04Å
30	Y	82.1	Confident	79.1	Confident	69 Å²	69	107.3 Å²	107.3	27%	0.271	52%	0.52	S	S	.	.			trans	-75.3	133.4	177.4	-57	-60.8	0	0	0	110.1	P28 K110 M111	P28-Y30 HydrophobicContact CB-CE1 4.29Å; P28-Y30 HydrophobicContact CG-CE1 4.46Å; P28-Y30 PolarHBondContact O-N 2.67Å; Y30-K110 HydrophobicContact CE2-CB 4.01Å; Y30-M111 HydrophobicContact CD1-CE 3Å; Y30-M111 HydrophobicContact CD1-CG 4.15Å; Y30-M111 HydrophobicContact CD1-SD 4.36Å; Y30-M111 HydrophobicContact CD2-CE 4.2Å; Y30-M111 HydrophobicContact CD2-CG 3.55Å; Y30-M111 HydrophobicContact CE1-CE 3.33Å; Y30-M111 HydrophobicContact CE1-CG 4.25Å; Y30-M111 HydrophobicContact CE2-CE 4.46Å; Y30-M111 HydrophobicContact CE2-CG 3.68Å; Y30-M111 HydrophobicContact CG-CE 3.47Å; Y30-M111 VanDerWaalsContact CG-CE 3.47Å; Y30-M111 HydrophobicContact CG-CG 3.77Å; Y30-M111 HydrophobicContact CG-SD 4.38Å
31	T	86.7	Confident	80	Confident	73 Å²	73	103.4 Å²	103.4	45%	0.448	51%	0.511	S	S	.	.			trans	-90.2	160.2	176.9	68.9	0	0	0	0	110.1	K33 D34 Y35	T31-K33 PolarHBondContact O-N 3.27Å; T31-K33 VanDerWaalsContact O-N 3.17Å; T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 3.49Å; T31-D34 WeakPolarHBondContact O-CB 3.46Å; T31-D34 PolarHBondContact O-N 3.26Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 2.72Å; T31-D34 PolarHBondContact OG1-OD2 2.96Å; T31-Y35 WeakPolarHBondContact O-CD2 3.49Å; T31-Y35 PolarHBondContact O-N 2.99Å
32	R	87.8	Confident	80.9	Confident	196 Å²	196	94.8 Å²	94.8	74%	0.74	48%	0.48	S	S	*	.	H	α-helix	trans	-52.6	-36.2	172.4	178.4	175.7	168.2	166.2	1.9	112.8	D34 Y35 E36	R32-D34 VanDerWaalsContact C-N 3.27Å; R32-D34 PolarHBondContact O-N 3.09Å; R32-Y35 PolarHBondContact O-N 3.28Å; R32-E36 HydrophobicContact CG-CG 4.35Å; R32-E36 IonicContact CZ-OE1 3.87Å; R32-E36 IonicContact NE-OE1 3.44Å; R32-E36 PolarHBondContact NE-OE1 3.49Å; R32-E36 IonicContact NH2-OE1 2.68Å; R32-E36 PolarHBondContact NH2-OE1 3.42Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.13Å
33	K	90.2	Very high	82.2	Confident	163 Å²	163	94 Å²	94	71%	0.709	48%	0.484	S	S	*	.	H	α-helix	trans	-63.8	-32.7	176.7	-69.3	-173.5	175.3	-175.2	0	112.6	T31 S37	T31-K33 PolarHBondContact O-N 3.27Å; T31-K33 VanDerWaalsContact O-N 3.17Å; K33-S37 WeakPolarHBondContact O-CB 3.23Å; K33-S37 PolarHBondContact O-N 3.36Å
34	D	90.2	Very high	83.6	Confident	58 Å²	58	93.3 Å²	93.3	31%	0.31	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-44.7	176.6	-58.9	-50.3	0	0	0	110.2	T31 R32 S37 F38 M111	T31-D34 WeakPolarHBondContact CB-OD2 3.39Å; T31-D34 PolarHBondContact N-OD2 3.49Å; T31-D34 WeakPolarHBondContact O-CB 3.46Å; T31-D34 PolarHBondContact O-N 3.26Å; T31-D34 VanDerWaalsContact OG1-CG 3.28Å; T31-D34 PolarHBondContact OG1-N 2.72Å; T31-D34 PolarHBondContact OG1-OD2 2.96Å; R32-D34 VanDerWaalsContact C-N 3.27Å; R32-D34 PolarHBondContact O-N 3.09Å; D34-S37 PolarHBondContact O-N 3.47Å; D34-S37 PolarHBondContact O-OG 3.36Å; D34-F38 VanDerWaalsContact O-CD2 3.26Å; D34-F38 WeakPolarHBondContact O-CD2 3.42Å; D34-M111 HydrophobicContact CB-CE 3.65Å
35	Y	91.6	Very high	85	Confident	88 Å²	88	86.6 Å²	86.6	35%	0.345	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-46.2	174.2	-73.3	-91.1	0	0	0	112.5	T31 R32 S37 F38 F79 M111	T31-Y35 WeakPolarHBondContact O-CD2 3.49Å; T31-Y35 PolarHBondContact O-N 2.99Å; R32-Y35 PolarHBondContact O-N 3.28Å; Y35-S37 PolarHBondContact O-N 3.11Å; Y35-F38 PolarHBondContact O-N 2.85Å; Y35-F38 VanDerWaalsContact O-N 3.07Å; Y35-F79 HydrophobicContact CD1-CE2 4.06Å; Y35-F79 HydrophobicContact CD1-CZ 4.15Å; Y35-M111 HydrophobicContact CE1-CB 3.83Å; Y35-M111 HydrophobicContact CE1-CG 4.27Å; Y35-M111 WeakPolarHBondContact CE1-O 3.45Å
36	E	93	Very high	86.7	Confident	79 Å²	79	82.4 Å²	82.4	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-60.8	-31.1	178.3	-73.4	172	174.9	0	0	112.2	R32 F38 M39	R32-E36 HydrophobicContact CG-CG 4.35Å; R32-E36 IonicContact CZ-OE1 3.87Å; R32-E36 IonicContact NE-OE1 3.44Å; R32-E36 PolarHBondContact NE-OE1 3.49Å; R32-E36 IonicContact NH2-OE1 2.68Å; R32-E36 PolarHBondContact NH2-OE1 3.42Å; R32-E36 WeakPolarHBondContact O-CG 3.49Å; R32-E36 PolarHBondContact O-N 3.13Å; E36-F38 PolarHBondContact O-N 3Å; E36-M39 HydrophobicContact CB-CE 4.25Å; E36-M39 HydrophobicContact CG-CE 3.98Å; E36-M39 PolarHBondContact O-N 2.69Å; E36-M39 VanDerWaalsContact O-N 3.14Å
37	S	93.7	Very high	88.5	Confident	53 Å²	53	76.4 Å²	76.4	37%	0.371	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.2	177	80.8	0	0	0	0	114.1	K33 D34 Y35 K82	K33-S37 WeakPolarHBondContact O-CB 3.23Å; K33-S37 PolarHBondContact O-N 3.36Å; D34-S37 PolarHBondContact O-N 3.47Å; D34-S37 PolarHBondContact O-OG 3.36Å; Y35-S37 PolarHBondContact O-N 3.11Å; S37-K82 WeakPolarHBondContact O-CG 3.44Å; S37-K82 WeakPolarHBondContact OG-CE 3.48Å
38	F	95.9	Very high	90.2	Very high	4 Å²	4	69 Å²	69	2%	0.018	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	11.2	175.9	-72.8	-78.4	0	0	0	113	D34 Y35 E36 F79 G80 Y81 K82 E105 V107 M111	D34-F38 VanDerWaalsContact O-CD2 3.26Å; D34-F38 WeakPolarHBondContact O-CD2 3.42Å; Y35-F38 PolarHBondContact O-N 2.85Å; Y35-F38 VanDerWaalsContact O-N 3.07Å; E36-F38 PolarHBondContact O-N 3Å; F38-F79 HydrophobicContact CB-CD2 4.47Å; F38-F79 HydrophobicContact CB-CE2 4.24Å; F38-F79 CarbonylContact O-C 3.48Å; F38-G80 PolarHBondContact O-N 3.29Å; F38-Y81 CarbonylContact C-O 3.55Å; F38-Y81 WeakPolarHBondContact CA-O 3.4Å; F38-Y81 PolarHBondContact O-N 3.35Å; F38-K82 HydrophobicContact CD1-CD 4.49Å; F38-K82 HydrophobicContact CD1-CG 3.79Å; F38-K82 HydrophobicContact CE1-CD 4.15Å; F38-K82 HydrophobicContact CE1-CG 3.84Å; F38-K82 HydrophobicContact CG-CG 4.48Å; F38-K82 HydrophobicContact CZ-CD 4.44Å; F38-E105 HydrophobicContact CE1-CB 4.33Å; F38-E105 HydrophobicContact CE1-CG 4.05Å; F38-E105 HydrophobicContact CZ-CG 4.3Å; F38-E105 WeakPolarHBondContact CZ-OE1 3.15Å; F38-V107 HydrophobicContact CB-CB 4.49Å; F38-V107 HydrophobicContact CD1-CB 3.91Å; F38-V107 HydrophobicContact CD1-CG2 4.48Å; F38-V107 HydrophobicContact CD2-CB 4.39Å; F38-V107 HydrophobicContact CD2-CG2 4.09Å; F38-V107 HydrophobicContact CE1-CB 4.2Å; F38-V107 HydrophobicContact CE2-CG2 4.38Å; F38-V107 HydrophobicContact CG-CB 4.03Å; F38-V107 HydrophobicContact CG-CG2 4.16Å; F38-M111 HydrophobicContact CD2-SD 4.15Å; F38-M111 HydrophobicContact CE2-CE 4.28Å; F38-M111 HydrophobicContact CE2-SD 4.04Å
39	M	95.4	Very high	91.6	Very high	73 Å²	73	65.5 Å²	65.5	36%	0.36	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.4	174.2	-59.9	-168.1	-42.3	0	0	110.2	E36 K77 I78 F79	E36-M39 HydrophobicContact CB-CE 4.25Å; E36-M39 HydrophobicContact CG-CE 3.98Å; E36-M39 PolarHBondContact O-N 2.69Å; E36-M39 VanDerWaalsContact O-N 3.14Å; M39-K77 HydrophobicContact CB-CD 4.35Å; M39-K77 HydrophobicContact CE-CD 3.97Å; M39-K77 HydrophobicContact SD-CD 4.42Å; M39-I78 WeakPolarHBondContact CA-O 3.35Å; M39-F79 HydrophobicContact CG-CD2 4.4Å
40	V	95.1	Very high	92.5	Very high	25 Å²	25	59.9 Å²	59.9	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.2	177.9	-176.7	0	0	0	0	109.3	L45 K77 I78 Y81 L84	V40-L45 HydrophobicContact CG1-CD1 4.16Å; V40-K77 CarbonylContact O-C 3.47Å; V40-K77 VanDerWaalsContact O-CA 3.29Å; V40-K77 WeakPolarHBondContact O-CA 3.46Å; V40-I78 PolarHBondContact N-O 3.47Å; V40-I78 PolarHBondContact O-N 3.22Å; V40-Y81 WeakPolarHBondContact CG2-O 3.36Å; V40-L84 HydrophobicContact CB-CB 4.33Å; V40-L84 HydrophobicContact CB-CD2 4.49Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG2-CB 3.94Å
41	P	94.8	Very high	93.1	Very high	75 Å²	75	56.6 Å²	56.6	49%	0.487	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	142.7	171.5	-22.3	33.5	0	0	0	112	E43	P41-E43 VanDerWaalsContact C-N 3.35Å
42	T	92.8	Very high	93.4	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.08	29%	0.287	C	S	.	.	S	Bend	trans	-78.6	-21	176.3	50.8	0	0	0	0	113.4	G44 L45 S69 F73 S75 E76 I78	T42-G44 PolarHBondContact O-N 3.32Å; T42-L45 WeakPolarHBondContact O-CB 3.36Å; T42-L45 PolarHBondContact O-N 2.94Å; T42-S69 PolarHBondContact O-OG 3.05Å; T42-F73 HydrophobicContact CG2-CB 3.85Å; T42-F73 HydrophobicContact CG2-CD1 4.07Å; T42-F73 HydrophobicContact CG2-CD2 3.62Å; T42-F73 HydrophobicContact CG2-CE2 4.1Å; T42-F73 HydrophobicContact CG2-CG 3.58Å; T42-S75 WeakPolarHBondContact CG2-O 3.49Å; T42-E76 PolarHBondContact N-O 3.35Å; T42-E76 PolarHBondContact OG1-O 3.01Å; T42-E76 VanDerWaalsContact OG1-O 3.07Å; T42-I78 HydrophobicContact CG2-CD1 3.65Å; T42-I78 HydrophobicContact CG2-CG1 3.62Å
43	E	91.5	Very high	93.5	Very high	173 Å²	173	49.4 Å²	49.4	81%	0.808	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	126.8	174.7	-170.6	-178.1	176.1	0	0	110.5	P41 L45	P41-E43 VanDerWaalsContact C-N 3.35Å; E43-L45 PolarHBondContact O-N 2.91Å; E43-L45 VanDerWaalsContact O-N 3.15Å
44	G	90.3	Very high	93.6	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	7.3	-178.7	0	0	0	0	0	115.4	T42	T42-G44 PolarHBondContact O-N 3.32Å
45	L	93.8	Very high	93.6	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	24%	0.243	C	C	.	.			trans	-70.4	-33.1	-176.7	-178.2	61.7	0	0	0	113.5	V40 T42 E43 F73 I78 L84 L86	V40-L45 HydrophobicContact CG1-CD1 4.16Å; T42-L45 WeakPolarHBondContact O-CB 3.36Å; T42-L45 PolarHBondContact O-N 2.94Å; E43-L45 PolarHBondContact O-N 2.91Å; E43-L45 VanDerWaalsContact O-N 3.15Å; L45-F73 HydrophobicContact CD2-CZ 4.02Å; L45-I78 HydrophobicContact CD2-CG1 3.78Å; L45-L84 HydrophobicContact CD1-CB 4.15Å; L45-L84 HydrophobicContact CD1-CD2 3.85Å; L45-L84 HydrophobicContact CD1-CG 3.83Å; L45-L84 WeakPolarHBondContact CD1-O 3.47Å; L45-L84 HydrophobicContact CD2-CD2 3.9Å; L45-L84 HydrophobicContact CG-CD2 4.46Å; L45-L86 HydrophobicContact CG-CB 4.37Å; L45-L86 PolarHBondContact O-N 3.48Å
46	I	95.6	Very high	93.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.6	-172.8	-60.9	-177.1	0	0	0	110.5	V48 A66 I72 F73 L86 L88 L192	I46-V48 HydrophobicContact CG2-CG2 4.28Å; I46-A66 HydrophobicContact CB-CB 3.91Å; I46-A66 HydrophobicContact CG2-CB 3.9Å; I46-A66 PolarHBondContact O-N 2.95Å; I46-I72 HydrophobicContact CD1-CD1 3.73Å; I46-F73 HydrophobicContact CD1-CE2 3.68Å; I46-F73 HydrophobicContact CD1-CZ 3.8Å; I46-F73 HydrophobicContact CG1-CE2 4.01Å; I46-F73 HydrophobicContact CG1-CZ 4.02Å; I46-L86 WeakPolarHBondContact CA-O 3.43Å; I46-L86 HydrophobicContact CD1-CD2 4.38Å; I46-L86 HydrophobicContact CG1-CD2 4.04Å; I46-L86 HydrophobicContact CG1-CG 4.44Å; I46-L88 HydrophobicContact CD1-CD1 4.46Å; I46-L88 HydrophobicContact CG2-CD1 3.67Å; I46-L88 HydrophobicContact CG2-CG 3.94Å; I46-L192 HydrophobicContact CD1-CD2 4.2Å; I46-L192 HydrophobicContact CG2-CD2 4.22Å
47	T	95.4	Very high	92.9	Very high	33 Å²	33	41.4 Å²	41.4	20%	0.202	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.8	164.4	55.1	0	0	0	0	110	F64 L86 M87 L88	T47-F64 CarbonylContact C-O 3.31Å; T47-F64 WeakPolarHBondContact CA-O 3.46Å; T47-L86 PolarHBondContact N-O 3.13Å; T47-L86 PolarHBondContact OG1-O 3.3Å; T47-M87 CarbonylContact O-C 3.57Å; T47-M87 WeakPolarHBondContact O-CA 3.16Å; T47-M87 WeakPolarHBondContact OG1-CA 3.48Å; T47-M87 WeakPolarHBondContact OG1-CB 3.26Å; T47-M87 WeakPolarHBondContact OG1-CE 3.31Å; T47-L88 PolarHBondContact O-N 3.44Å
48	V	96	Very high	92.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.9	-176.1	179.5	0	0	0	0	109.6	I46 M50 G63 F64 F90 L192 F193	I46-V48 HydrophobicContact CG2-CG2 4.28Å; V48-M50 HydrophobicContact CG1-CE 3.69Å; V48-G63 CarbonylContact O-C 3.57Å; V48-G63 WeakPolarHBondContact O-CA 3.34Å; V48-F64 PolarHBondContact N-O 3.36Å; V48-F64 PolarHBondContact O-N 3.01Å; V48-F90 HydrophobicContact CG1-CD2 3.91Å; V48-F90 HydrophobicContact CG1-CE2 3.79Å; V48-L192 HydrophobicContact CG2-CB 4.38Å; V48-L192 HydrophobicContact CG2-CD1 3.47Å; V48-L192 VanDerWaalsContact CG2-CD1 3.47Å; V48-L192 HydrophobicContact CG2-CG 4.47Å; V48-F193 HydrophobicContact CB-CE2 4.22Å; V48-F193 HydrophobicContact CB-CZ 3.91Å; V48-F193 HydrophobicContact CG1-CE2 4.15Å; V48-F193 HydrophobicContact CG1-CZ 4.29Å; V48-F193 HydrophobicContact CG2-CE2 4.06Å; V48-F193 HydrophobicContact CG2-CZ 3.87Å
49	A	95.3	Very high	90.7	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.3	174.4	0	0	0	0	0	109.2	V51 F57 M87 L88 M89 F90	A49-V51 HydrophobicContact CB-CG2 4.06Å; A49-F57 HydrophobicContact CB-CD1 3.82Å; A49-F57 HydrophobicContact CB-CE1 3.36Å; A49-F57 HydrophobicContact CB-CZ 4.1Å; A49-M87 HydrophobicContact CB-SD 4.33Å; A49-L88 PolarHBondContact N-O 2.94Å; A49-M89 CarbonylContact O-C 3.5Å; A49-M89 WeakPolarHBondContact O-CA 3.39Å; A49-F90 PolarHBondContact O-N 3.23Å
50	M	95	Very high	89.1	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.054	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.7	161	-28.3	-81	159.6	0	0	108.8	V48 F90 V92 F95 A189 M252	V48-M50 HydrophobicContact CG1-CE 3.69Å; M50-F90 CarbonylContact C-O 3.5Å; M50-F90 VanDerWaalsContact CA-O 3.28Å; M50-F90 WeakPolarHBondContact CA-O 3.17Å; M50-F90 HydrophobicContact CE-CD2 4.34Å; M50-F90 HydrophobicContact SD-CB 3.5Å; M50-F90 WeakPolarHBondContact SD-CB 3.47Å; M50-F90 HydrophobicContact SD-CD2 4.12Å; M50-F90 HydrophobicContact SD-CG 3.91Å; M50-V92 HydrophobicContact CB-CG1 3.68Å; M50-F95 HydrophobicContact CE-CE1 4.08Å; M50-F95 HydrophobicContact CE-CZ 4.35Å; M50-F95 HydrophobicContact SD-CD1 4.43Å; M50-F95 HydrophobicContact SD-CE1 3.53Å; M50-F95 VanDerWaalsContact SD-CE1 3.53Å; M50-F95 HydrophobicContact SD-CE2 4.37Å; M50-F95 HydrophobicContact SD-CZ 3.5Å; M50-F95 VanDerWaalsContact SD-CZ 3.5Å; M50-A189 HydrophobicContact CE-CB 4.44Å; M50-M252 HydrophobicContact CE-CB 4Å; M50-M252 HydrophobicContact CE-CG 3.77Å; M50-M252 HydrophobicContact CE-SD 3.46Å; M50-M252 WeakPolarHBondContact CE-SD 3.45Å; M50-M252 HydrophobicContact SD-CG 4.42Å
51	V	94.8	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.7	-161.1	-174.8	0	0	0	0	108.7	A49 N53 F57 M89 F90 V92 F136 L140	A49-V51 HydrophobicContact CB-CG2 4.06Å; V51-N53 WeakPolarHBondContact CG1-O 3.39Å; V51-F57 HydrophobicContact CB-CE2 4.1Å; V51-F57 HydrophobicContact CG1-CD2 3.92Å; V51-F57 HydrophobicContact CG1-CE2 3.81Å; V51-F57 HydrophobicContact CG2-CD2 4.1Å; V51-F57 HydrophobicContact CG2-CE1 4.35Å; V51-F57 HydrophobicContact CG2-CE2 3.78Å; V51-F57 HydrophobicContact CG2-CZ 3.94Å; V51-M89 HydrophobicContact CG1-CE 4.35Å; V51-M89 HydrophobicContact CG2-CB 3.9Å; V51-M89 HydrophobicContact CG2-CE 3.75Å; V51-M89 HydrophobicContact CG2-CG 4.32Å; V51-F90 PolarHBondContact N-O 3.43Å; V51-V92 PolarHBondContact O-N 3.34Å; V51-F136 HydrophobicContact CB-CE1 4.06Å; V51-F136 HydrophobicContact CB-CZ 4.11Å; V51-F136 HydrophobicContact CG1-CE1 4.05Å; V51-F136 HydrophobicContact CG2-CE1 4.29Å; V51-F136 HydrophobicContact CG2-CZ 4.41Å; V51-L140 HydrophobicContact CB-CD2 4.36Å; V51-L140 HydrophobicContact CG1-CD1 3.76Å; V51-L140 HydrophobicContact CG1-CD2 4.21Å; V51-L140 WeakPolarHBondContact O-CD2 3.45Å
52	S	92.7	Very high	87	Confident	50 Å²	50	52 Å²	52	35%	0.35	32%	0.316	S	S	.	.	S	Bend	trans	-95.1	-40.8	167.3	54.1	0	0	0	0	110.6	Q143	S52-Q143 PolarHBondContact O-NE2 2.67Å; S52-Q143 VanDerWaalsContact O-NE2 3.08Å
53	N	91	Very high	86.9	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	33%	0.331	S	S	.	.			trans	-126.6	128.6	174.3	179.3	17.4	0	0	0	109.9	V51 D55 D56 F57	V51-N53 WeakPolarHBondContact CG1-O 3.39Å; N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 3.26Å; N53-D55 PolarHBondContact OD1-N 3.01Å; N53-D56 PolarHBondContact ND2-OD1 3.49Å; N53-D56 VanDerWaalsContact ND2-OD1 3.08Å; N53-F57 WeakPolarHBondContact O-CD2 3.38Å
54	Y	91.3	Very high	87	Confident	12 Å²	12	49 Å²	49	5%	0.047	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-66.8	-34.2	-178	-173.4	-90	0	0	0	112.8	D56 F57 M89 F98 E133 F136 R137	Y54-D56 PolarHBondContact O-N 3.46Å; Y54-F57 PolarHBondContact O-N 2.98Å; Y54-M89 HydrophobicContact CD2-CE 3.67Å; Y54-M89 HydrophobicContact CD2-SD 4.36Å; Y54-M89 HydrophobicContact CE2-CE 3.62Å; Y54-M89 HydrophobicContact CE2-SD 3.77Å; Y54-F98 HydrophobicContact CE2-CD1 4.09Å; Y54-F98 HydrophobicContact CE2-CE1 4.01Å; Y54-E133 HydrophobicContact CD1-CG 4.33Å; Y54-E133 HydrophobicContact CE1-CG 3.68Å; Y54-E133 WeakPolarHBondContact CE1-OE1 3.4Å; Y54-E133 WeakPolarHBondContact CE1-OE2 3.34Å; Y54-E133 HydrophobicContact CE2-CG 3.99Å; Y54-E133 VanDerWaalsContact CZ-CG 3.47Å; Y54-E133 PolarHBondContact OH-OE2 3.17Å; Y54-F136 AromaticContact CD2-CD1 3.78Å; Y54-F136 HydrophobicContact CD2-CD1 3.78Å; Y54-F136 HydrophobicContact CD2-CE1 4.16Å; Y54-F136 HydrophobicContact CE2-CD1 4.2Å; Y54-R137 VanDerWaalsContact CD1-CZ 3.4Å; Y54-R137 HydrophobicContact CG-CG 4.36Å
55	D	90.1	Very high	87.2	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-67.9	-20.2	-172.5	-62.9	-38.7	0	0	0	112.9	N53 F57 S58 R137	N53-D55 VanDerWaalsContact C-N 3.32Å; N53-D55 PolarHBondContact O-N 3.26Å; N53-D55 PolarHBondContact OD1-N 3.01Å; D55-F57 PolarHBondContact O-N 3.37Å; D55-F57 VanDerWaalsContact O-N 3.12Å; D55-S58 WeakPolarHBondContact O-CB 3.26Å; D55-S58 PolarHBondContact O-N 3.02Å; D55-S58 PolarHBondContact O-OG 2.91Å; D55-R137 IonicContact OD1-CZ 2.86Å; D55-R137 VanDerWaalsContact OD1-CZ 3.27Å; D55-R137 IonicContact OD1-NH1 3.28Å; D55-R137 PolarHBondContact OD1-NH1 3.41Å; D55-R137 IonicContact OD1-NH2 2.83Å; D55-R137 PolarHBondContact OD1-NH2 2.92Å; D55-R137 IonicContact OD2-NH1 3.56Å; D55-R137 PolarHBondContact OD2-NH1 2.98Å
56	D	86.7	Confident	87.3	Confident	100 Å²	100	49.3 Å²	49.3	54%	0.535	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63	-16.3	173.8	-58.9	-5.4	0	0	0	112.3	N53 Y54	N53-D56 PolarHBondContact ND2-OD1 3.49Å; N53-D56 VanDerWaalsContact ND2-OD1 3.08Å; Y54-D56 PolarHBondContact O-N 3.46Å
57	F	84.4	Confident	87.2	Confident	28 Å²	28	54.4 Å²	54.4	12%	0.123	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-110.6	18.3	-174.9	-61.9	-99.5	0	0	0	113.3	A49 V51 N53 Y54 D55 C62 M89 R100	A49-F57 HydrophobicContact CB-CD1 3.82Å; A49-F57 HydrophobicContact CB-CE1 3.36Å; A49-F57 HydrophobicContact CB-CZ 4.1Å; V51-F57 HydrophobicContact CB-CE2 4.1Å; V51-F57 HydrophobicContact CG1-CD2 3.92Å; V51-F57 HydrophobicContact CG1-CE2 3.81Å; V51-F57 HydrophobicContact CG2-CD2 4.1Å; V51-F57 HydrophobicContact CG2-CE1 4.35Å; V51-F57 HydrophobicContact CG2-CE2 3.78Å; V51-F57 HydrophobicContact CG2-CZ 3.94Å; N53-F57 WeakPolarHBondContact O-CD2 3.38Å; Y54-F57 PolarHBondContact O-N 2.98Å; D55-F57 PolarHBondContact O-N 3.37Å; D55-F57 VanDerWaalsContact O-N 3.12Å; F57-C62 HydrophobicContact CD1-CB 3.94Å; F57-C62 WeakPolarHBondContact CD1-SG 3.24Å; F57-C62 HydrophobicContact CE1-CB 4.16Å; F57-M89 HydrophobicContact CB-CE 3.7Å; F57-M89 HydrophobicContact CD1-CE 4.33Å; F57-M89 HydrophobicContact CD2-CE 4.24Å; F57-M89 HydrophobicContact CG-CE 3.83Å; F57-R100 PolarHBondContact O-NH1 3.21Å
58	S	75.4	Confident	87.1	Confident	79 Å²	79	56 Å²	56	55%	0.552	34%	0.339	S	S	*	.	S	Bend	trans	-90.6	-27.9	-172.8	61.7	0	0	0	0	115.5	D55	D55-S58 WeakPolarHBondContact O-CB 3.26Å; D55-S58 PolarHBondContact O-N 3.02Å; D55-S58 PolarHBondContact O-OG 2.91Å
59	T	67.5	Low	86.8	Confident	123 Å²	123	56.4 Å²	56.4	76%	0.755	34%	0.342	S	S	*	.	S	Bend	trans	-119.9	-11	-165.2	43.2	0	0	0	0	116.6
60	S	62	Low	86.6	Confident	80 Å²	80	62 Å²	62	56%	0.559	36%	0.364	S	S	*	.	S	Bend	trans	-145.6	151.6	-177	-65.2	0	0	0	0	111.7	C62	S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 VanDerWaalsContact O-N 3.08Å; S60-C62 PolarHBondContact O-SG 3.48Å
61	P	66.3	Low	86.3	Confident	137 Å²	137	64.1 Å²	64.1	89%	0.89	37%	0.374	S	S	*	.			trans	-58.3	117.5	167.9	23.7	-30.1	0	0	0	108.3
62	C	79.9	Confident	86.2	Confident	32 Å²	32	64.7 Å²	64.7	22%	0.216	38%	0.376	C	S	.	.			trans	-134.1	154.4	-174.2	44.4	0	0	0	0	108.4	F57 S60 M87	F57-C62 HydrophobicContact CD1-CB 3.94Å; F57-C62 WeakPolarHBondContact CD1-SG 3.24Å; F57-C62 HydrophobicContact CE1-CB 4.16Å; S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 VanDerWaalsContact O-N 3.08Å; S60-C62 PolarHBondContact O-SG 3.48Å; C62-M87 WeakPolarHBondContact O-CE 3.33Å
63	G	89.1	Confident	86.2	Confident	39 Å²	39	63 Å²	63	40%	0.402	36%	0.363	S	S	.	.	S	Bend	trans	102.2	-175.2	-175.8	0	0	0	0	0	113.8	V48	V48-G63 CarbonylContact O-C 3.57Å; V48-G63 WeakPolarHBondContact O-CA 3.34Å
64	F	94.1	Very high	86	Confident	84 Å²	84	67.1 Å²	67.1	37%	0.368	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.4	-173.2	-64.6	-98.1	0	0	0	109.1	T47 V48 A66 F193 P253 Q254	T47-F64 CarbonylContact C-O 3.31Å; T47-F64 WeakPolarHBondContact CA-O 3.46Å; V48-F64 PolarHBondContact N-O 3.36Å; V48-F64 PolarHBondContact O-N 3.01Å; F64-A66 PolarHBondContact O-N 3.48Å; F64-F193 HydrophobicContact CB-CE1 4.44Å; F64-F193 HydrophobicContact CB-CZ 4.37Å; F64-P253 HydrophobicContact CB-CB 3.98Å; F64-P253 HydrophobicContact CB-CG 4.26Å; F64-P253 HydrophobicContact CD1-CB 3.36Å; F64-P253 HydrophobicContact CD1-CG 4.45Å; F64-P253 HydrophobicContact CD2-CB 3.84Å; F64-P253 HydrophobicContact CE1-CB 3.74Å; F64-P253 HydrophobicContact CE2-CB 4.23Å; F64-P253 HydrophobicContact CG-CB 3.42Å; F64-P253 VanDerWaalsContact CG-CB 3.42Å; F64-P253 HydrophobicContact CG-CG 4.2Å; F64-P253 HydrophobicContact CZ-CB 4.18Å; F64-Q254 HydrophobicContact CE2-CB 3.57Å; F64-Q254 VanDerWaalsContact CZ-CA 3.47Å; F64-Q254 HydrophobicContact CZ-CB 3.82Å
65	A	94.7	Very high	85.9	Confident	64 Å²	64	70.2 Å²	70.2	53%	0.529	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	135.4	172.4	0	0	0	0	0	109.5	F193	A65-F193 WeakPolarHBondContact O-CE1 3.44Å
66	A	95.7	Very high	86	Confident	11 Å²	11	74.1 Å²	74.1	9%	0.091	42%	0.419	C	S	.	.			trans	-66.3	136.5	170	0	0	0	0	0	109.4	I46 F64 L192	I46-A66 HydrophobicContact CB-CB 3.91Å; I46-A66 HydrophobicContact CG2-CB 3.9Å; I46-A66 PolarHBondContact O-N 2.95Å; F64-A66 PolarHBondContact O-N 3.48Å; A66-L192 HydrophobicContact CB-CB 4Å; A66-L192 HydrophobicContact CB-CD2 3.93Å; A66-L192 HydrophobicContact CB-CG 4.49Å
67	N	94.4	Very high	86.3	Confident	107 Å²	107	74.4 Å²	74.4	57%	0.572	42%	0.416	S	S	*	.	S	Bend	trans	-79.2	-35.9	175.8	-66.5	15.9	0	0	0	110.6	L192	N67-L192 PolarHBondContact N-O 3.36Å
68	Y	93	Very high	86.9	Confident	67 Å²	67	73.3 Å²	73.3	26%	0.263	41%	0.411	S	S	.	.			trans	-130.9	102.2	-175	-51.5	-65.1	0	0	0	110.3	Y70 L192 F193 E195	Y68-Y70 AromaticContact CD1-CE1 3.99Å; Y68-Y70 HydrophobicContact CD1-CE1 3.99Å; Y68-Y70 HydrophobicContact CG-CE1 4.34Å; Y68-L192 PolarHBondContact N-O 3.35Å; Y68-L192 WeakPolarHBondContact O-CA 3.39Å; Y68-F193 WeakPolarHBondContact CE2-O 3.14Å; Y68-E195 HydrophobicContact CD1-CB 4.31Å; Y68-E195 HydrophobicContact CD1-CG 4.25Å; Y68-E195 HydrophobicContact CD2-CB 4.15Å; Y68-E195 HydrophobicContact CE1-CB 3.92Å; Y68-E195 HydrophobicContact CE1-CG 4Å; Y68-E195 HydrophobicContact CE2-CB 3.75Å; Y68-E195 VanDerWaalsContact CE2-N 3.28Å; Y68-E195 HydrophobicContact CG-CB 4.42Å
69	S	90.7	Very high	87.9	Confident	11 Å²	11	71.7 Å²	71.7	8%	0.077	39%	0.394	C	S	.	.			trans	-112.6	-13.7	178.4	60.2	0	0	0	0	113.7	T42 Q71 I72 F73	T42-S69 PolarHBondContact O-OG 3.05Å; S69-Q71 PolarHBondContact O-N 3.01Å; S69-Q71 VanDerWaalsContact O-N 3.14Å; S69-I72 PolarHBondContact O-N 3.33Å; S69-I72 VanDerWaalsContact O-N 3.08Å; S69-F73 WeakPolarHBondContact O-CD2 3.39Å
70	Y	89.6	Confident	89.3	Confident	118 Å²	118	65.9 Å²	65.9	46%	0.463	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.5	-172	63.8	-89.6	0	0	0	113.4	Y68 I72 F73	Y68-Y70 AromaticContact CD1-CE1 3.99Å; Y68-Y70 HydrophobicContact CD1-CE1 3.99Å; Y68-Y70 HydrophobicContact CG-CE1 4.34Å; Y70-I72 VanDerWaalsContact C-N 3.26Å; Y70-I72 PolarHBondContact O-N 3.37Å; Y70-F73 PolarHBondContact O-N 3.47Å
71	Q	89.6	Confident	91	Very high	56 Å²	56	63.1 Å²	63.1	26%	0.262	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.6	-179.5	-56.5	179.9	23.6	0	0	112.9	S69 F124	S69-Q71 PolarHBondContact O-N 3.01Å; S69-Q71 VanDerWaalsContact O-N 3.14Å; Q71-F124 HydrophobicContact CB-CE2 4.12Å; Q71-F124 HydrophobicContact CB-CZ 4.06Å; Q71-F124 WeakPolarHBondContact O-CD2 3.2Å; Q71-F124 WeakPolarHBondContact O-CE2 3.37Å
72	I	92.2	Very high	92.3	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.062	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-28.7	-177.8	-62.1	170.7	0	0	0	110.9	I46 S69 Y70 I120 F124 F188 L192	I46-I72 HydrophobicContact CD1-CD1 3.73Å; S69-I72 PolarHBondContact O-N 3.33Å; S69-I72 VanDerWaalsContact O-N 3.08Å; Y70-I72 VanDerWaalsContact C-N 3.26Å; Y70-I72 PolarHBondContact O-N 3.37Å; I72-I120 HydrophobicContact CG2-CG2 3.99Å; I72-I120 VanDerWaalsContact O-CG2 3.32Å; I72-I120 WeakPolarHBondContact O-CG2 3.5Å; I72-F124 HydrophobicContact CG1-CD1 3.97Å; I72-F124 HydrophobicContact CG1-CE1 4.06Å; I72-F124 HydrophobicContact CG1-CG 4.25Å; I72-F124 HydrophobicContact CG1-CZ 4.44Å; I72-F124 HydrophobicContact CG2-CB 4.5Å; I72-F188 HydrophobicContact CD1-CE2 3.65Å; I72-F188 HydrophobicContact CD1-CZ 3.99Å; I72-F188 HydrophobicContact CG1-CE2 4.06Å; I72-L192 HydrophobicContact CD1-CD2 3.44Å; I72-L192 VanDerWaalsContact CD1-CD2 3.44Å
73	F	92.8	Very high	93	Very high	14 Å²	14	65.4 Å²	65.4	6%	0.061	33%	0.328	C	S	.	.			trans	-109	126.2	-173.3	-56.2	-68.7	0	0	0	111.2	T42 L45 I46 S69 Y70 S75 I78 L86 L117 I120	T42-F73 HydrophobicContact CG2-CB 3.85Å; T42-F73 HydrophobicContact CG2-CD1 4.07Å; T42-F73 HydrophobicContact CG2-CD2 3.62Å; T42-F73 HydrophobicContact CG2-CE2 4.1Å; T42-F73 HydrophobicContact CG2-CG 3.58Å; L45-F73 HydrophobicContact CD2-CZ 4.02Å; I46-F73 HydrophobicContact CD1-CE2 3.68Å; I46-F73 HydrophobicContact CD1-CZ 3.8Å; I46-F73 HydrophobicContact CG1-CE2 4.01Å; I46-F73 HydrophobicContact CG1-CZ 4.02Å; S69-F73 WeakPolarHBondContact O-CD2 3.39Å; Y70-F73 PolarHBondContact O-N 3.47Å; F73-S75 WeakPolarHBondContact CB-O 3.43Å; F73-S75 PolarHBondContact O-N 3.03Å; F73-I78 HydrophobicContact CD1-CD1 3.7Å; F73-I78 HydrophobicContact CE1-CD1 3.91Å; F73-I78 HydrophobicContact CG-CD1 4.44Å; F73-L86 HydrophobicContact CZ-CD2 4.21Å; F73-L117 HydrophobicContact CE1-CD2 3.86Å; F73-I120 HydrophobicContact CD1-CG2 3.96Å; F73-I120 HydrophobicContact CE1-CG2 4.21Å
74	E	86.5	Confident	93.3	Very high	155 Å²	155	64.3 Å²	64.3	72%	0.724	31%	0.313	S	S	*	.	S	Bend	trans	-72.2	-16.9	173.3	-64.3	178	168.9	0	0	112.7	R123	E74-R123 IonicContact OE1-CZ 3.25Å; E74-R123 IonicContact OE1-NH1 3.63Å; E74-R123 PolarHBondContact OE1-NH1 2.91Å; E74-R123 IonicContact OE1-NH2 2.74Å; E74-R123 PolarHBondContact OE1-NH2 2.93Å; E74-R123 IonicContact OE2-NH1 3.72Å
75	S	89.4	Confident	93.3	Very high	77 Å²	77	62.3 Å²	62.3	54%	0.538	31%	0.309	S	S	.	.	S	Bend	trans	-126.1	146	-177.7	-66.4	0	0	0	0	110.9	T42 F73 K77	T42-S75 WeakPolarHBondContact CG2-O 3.49Å; F73-S75 WeakPolarHBondContact CB-O 3.43Å; F73-S75 PolarHBondContact O-N 3.03Å; S75-K77 PolarHBondContact O-N 3Å
76	E	92.2	Very high	93.3	Very high	162 Å²	162	59.3 Å²	59.3	76%	0.757	28%	0.284	S	S	*	.	S	Bend	trans	-70.5	-11.6	177.5	-63.4	-179.1	169.4	0	0	113.8	T42	T42-E76 PolarHBondContact N-O 3.35Å; T42-E76 PolarHBondContact OG1-O 3.01Å; T42-E76 VanDerWaalsContact OG1-O 3.07Å
77	K	93.8	Very high	93.3	Very high	107 Å²	107	59.2 Å²	59.2	47%	0.465	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.3	-177.7	-62	-176.8	-175.6	176.9	0	110.4	M39 V40 S75	M39-K77 HydrophobicContact CB-CD 4.35Å; M39-K77 HydrophobicContact CE-CD 3.97Å; M39-K77 HydrophobicContact SD-CD 4.42Å; V40-K77 CarbonylContact O-C 3.47Å; V40-K77 VanDerWaalsContact O-CA 3.29Å; V40-K77 WeakPolarHBondContact O-CA 3.46Å; S75-K77 PolarHBondContact O-N 3Å
78	I	95.9	Very high	93.4	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.3	171.4	-56.4	-55.6	0	0	0	108.5	M39 V40 T42 L45 F73 Y81 L84 D115 L117	M39-I78 WeakPolarHBondContact CA-O 3.35Å; V40-I78 PolarHBondContact N-O 3.47Å; V40-I78 PolarHBondContact O-N 3.22Å; T42-I78 HydrophobicContact CG2-CD1 3.65Å; T42-I78 HydrophobicContact CG2-CG1 3.62Å; L45-I78 HydrophobicContact CD2-CG1 3.78Å; F73-I78 HydrophobicContact CD1-CD1 3.7Å; F73-I78 HydrophobicContact CE1-CD1 3.91Å; F73-I78 HydrophobicContact CG-CD1 4.44Å; I78-Y81 HydrophobicContact CG2-CD2 3.84Å; I78-Y81 HydrophobicContact CG2-CE2 3.97Å; I78-L84 HydrophobicContact CB-CD2 4.11Å; I78-L84 HydrophobicContact CG1-CD2 4.48Å; I78-L84 HydrophobicContact CG2-CD2 3.78Å; I78-D115 HydrophobicContact CG2-CB 3.91Å; I78-L117 HydrophobicContact CD1-CD2 3.99Å; I78-L117 HydrophobicContact CG1-CD2 4.07Å; I78-L117 HydrophobicContact CG2-CD2 4.03Å; I78-L117 HydrophobicContact CG2-CG 4.48Å
79	F	96.2	Very high	93.6	Very high	46 Å²	46	51 Å²	51	20%	0.202	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142	174.7	175.8	-107.6	0	0	0	111.7	Y35 F38 M39 V107 D115	Y35-F79 HydrophobicContact CD1-CE2 4.06Å; Y35-F79 HydrophobicContact CD1-CZ 4.15Å; F38-F79 HydrophobicContact CB-CD2 4.47Å; F38-F79 HydrophobicContact CB-CE2 4.24Å; F38-F79 CarbonylContact O-C 3.48Å; M39-F79 HydrophobicContact CG-CD2 4.4Å; F79-V107 HydrophobicContact CE1-CG1 4.29Å; F79-V107 HydrophobicContact CE1-CG2 4.48Å; F79-V107 HydrophobicContact CZ-CG1 4.48Å; F79-V107 HydrophobicContact CZ-CG2 3.89Å; F79-D115 PolarHBondContact N-OD2 3.34Å; F79-D115 PolarHBondContact O-N 2.96Å
80	G	96.7	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	113.6	6.6	161.9	0	0	0	0	0	115.4	F38 I106 V107	F38-G80 PolarHBondContact O-N 3.29Å; G80-I106 WeakPolarHBondContact O-CA 3.16Å; G80-V107 PolarHBondContact O-N 2.68Å
81	Y	97.4	Very high	94.3	Very high	22 Å²	22	44.8 Å²	44.8	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.8	-171.7	-56.5	-86.2	0	0	0	112.4	F38 V40 I78 L84 V101 A103 E105 I106 P114 D115 L117	F38-Y81 CarbonylContact C-O 3.55Å; F38-Y81 WeakPolarHBondContact CA-O 3.4Å; F38-Y81 PolarHBondContact O-N 3.35Å; V40-Y81 WeakPolarHBondContact CG2-O 3.36Å; I78-Y81 HydrophobicContact CG2-CD2 3.84Å; I78-Y81 HydrophobicContact CG2-CE2 3.97Å; Y81-L84 HydrophobicContact CD1-CD1 3.79Å; Y81-L84 HydrophobicContact CD2-CD1 4.07Å; Y81-L84 HydrophobicContact CD2-CD2 3.93Å; Y81-L84 HydrophobicContact CD2-CG 4.5Å; Y81-L84 HydrophobicContact CE1-CD1 4.22Å; Y81-L84 HydrophobicContact CE2-CD1 4.48Å; Y81-L84 HydrophobicContact CG-CB 4.38Å; Y81-L84 HydrophobicContact CG-CD1 3.69Å; Y81-L84 HydrophobicContact CG-CD2 4.19Å; Y81-L84 HydrophobicContact CG-CG 4.29Å; Y81-V101 HydrophobicContact CE1-CG1 4.42Å; Y81-A103 HydrophobicContact CD1-CB 3.73Å; Y81-A103 HydrophobicContact CG-CB 4.44Å; Y81-E105 CarbonylContact C-O 3.56Å; Y81-E105 WeakPolarHBondContact CA-O 3.34Å; Y81-I106 HydrophobicContact CD1-CG1 4.11Å; Y81-I106 HydrophobicContact CE1-CG1 4.25Å; Y81-P114 HydrophobicContact CE1-CB 4.26Å; Y81-P114 HydrophobicContact CE2-CB 3.84Å; Y81-D115 WeakPolarHBondContact CE2-O 3.35Å; Y81-D115 PolarHBondContact OH-O 3.43Å; Y81-L117 HydrophobicContact CE2-CD1 4.29Å
82	K	95.4	Very high	94.6	Very high	62 Å²	62	42.3 Å²	42.3	27%	0.27	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.6	163.3	-64.1	-173.5	-170.8	157.3	0	109.7	S37 F38 L84 D104 E105	S37-K82 WeakPolarHBondContact O-CG 3.44Å; S37-K82 WeakPolarHBondContact OG-CE 3.48Å; F38-K82 HydrophobicContact CD1-CD 4.49Å; F38-K82 HydrophobicContact CD1-CG 3.79Å; F38-K82 HydrophobicContact CE1-CD 4.15Å; F38-K82 HydrophobicContact CE1-CG 3.84Å; F38-K82 HydrophobicContact CG-CG 4.48Å; F38-K82 HydrophobicContact CZ-CD 4.44Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.84Å; K82-D104 PolarHBondContact O-N 2.7Å; K82-E105 HydrophobicContact CB-CB 4.04Å; K82-E105 HydrophobicContact CD-CB 4.14Å; K82-E105 WeakPolarHBondContact CD-OE2 3.36Å; K82-E105 WeakPolarHBondContact CE-OE2 3.47Å; K82-E105 HydrophobicContact CG-CB 4.26Å; K82-E105 PolarHBondContact N-O 3.32Å; K82-E105 IonicContact NZ-OE1 3.75Å; K82-E105 IonicContact NZ-OE2 3.35Å; K82-E105 PolarHBondContact NZ-OE2 2.85Å
83	K	93.1	Very high	94.9	Very high	156 Å²	156	41.8 Å²	41.8	68%	0.678	20%	0.203	S	C	*	.	S	Bend	trans	47.2	52.5	-176	-65.9	165.1	169.3	-172.7	0	111.6	D104	K83-D104 HydrophobicContact CB-CB 4.17Å; K83-D104 HydrophobicContact CD-CB 4Å; K83-D104 WeakPolarHBondContact CD-OD2 3.41Å; K83-D104 WeakPolarHBondContact CE-OD2 3.14Å; K83-D104 IonicContact NZ-OD2 3.27Å; K83-D104 PolarHBondContact NZ-OD2 3.2Å
84	L	95.7	Very high	95	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.084	21%	0.208	C	C	.	.			trans	-68.2	138.9	177	-179.8	64.8	0	0	0	110.2	V40 L45 I78 Y81 K82 V101 T102 A103 L117	V40-L84 HydrophobicContact CB-CB 4.33Å; V40-L84 HydrophobicContact CB-CD2 4.49Å; V40-L84 HydrophobicContact CG1-CB 4.2Å; V40-L84 HydrophobicContact CG2-CB 3.94Å; L45-L84 HydrophobicContact CD1-CB 4.15Å; L45-L84 HydrophobicContact CD1-CD2 3.85Å; L45-L84 HydrophobicContact CD1-CG 3.83Å; L45-L84 WeakPolarHBondContact CD1-O 3.47Å; L45-L84 HydrophobicContact CD2-CD2 3.9Å; L45-L84 HydrophobicContact CG-CD2 4.46Å; I78-L84 HydrophobicContact CB-CD2 4.11Å; I78-L84 HydrophobicContact CG1-CD2 4.48Å; I78-L84 HydrophobicContact CG2-CD2 3.78Å; Y81-L84 HydrophobicContact CD1-CD1 3.79Å; Y81-L84 HydrophobicContact CD2-CD1 4.07Å; Y81-L84 HydrophobicContact CD2-CD2 3.93Å; Y81-L84 HydrophobicContact CD2-CG 4.5Å; Y81-L84 HydrophobicContact CE1-CD1 4.22Å; Y81-L84 HydrophobicContact CE2-CD1 4.48Å; Y81-L84 HydrophobicContact CG-CB 4.38Å; Y81-L84 HydrophobicContact CG-CD1 3.69Å; Y81-L84 HydrophobicContact CG-CD2 4.19Å; Y81-L84 HydrophobicContact CG-CG 4.29Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.84Å; L84-V101 HydrophobicContact CD1-CG1 3.81Å; L84-T102 CarbonylContact C-O 3.44Å; L84-T102 WeakPolarHBondContact CA-O 3.41Å; L84-A103 HydrophobicContact CD1-CB 4.3Å; L84-L117 HydrophobicContact CD1-CD1 3.64Å; L84-L117 HydrophobicContact CD2-CD1 3.68Å; L84-L117 HydrophobicContact CG-CD1 4.1Å
85	S	93.6	Very high	95.5	Very high	42 Å²	42	35.3 Å²	35.3	29%	0.294	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.4	167.2	177.8	0	0	0	0	109.3	T102	S85-T102 PolarHBondContact N-O 3Å; S85-T102 PolarHBondContact O-N 3.42Å
86	L	95.9	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.1	172.6	174.7	56.6	0	0	0	108.7	L45 I46 T47 F73 L88 P99 V101 L117 V121	L45-L86 HydrophobicContact CG-CB 4.37Å; L45-L86 PolarHBondContact O-N 3.48Å; I46-L86 WeakPolarHBondContact CA-O 3.43Å; I46-L86 HydrophobicContact CD1-CD2 4.38Å; I46-L86 HydrophobicContact CG1-CD2 4.04Å; I46-L86 HydrophobicContact CG1-CG 4.44Å; T47-L86 PolarHBondContact N-O 3.13Å; T47-L86 PolarHBondContact OG1-O 3.3Å; F73-L86 HydrophobicContact CZ-CD2 4.21Å; L86-L88 HydrophobicContact CD1-CD2 4.09Å; L86-L88 HydrophobicContact CG-CD2 4.26Å; L86-P99 HydrophobicContact CD1-CB 4.03Å; L86-V101 HydrophobicContact CD1-CG2 3.99Å; L86-L117 HydrophobicContact CD2-CB 4.43Å; L86-L117 HydrophobicContact CD2-CD2 4.37Å; L86-V121 HydrophobicContact CD2-CG2 4.26Å
87	M	95.2	Very high	96.3	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.049	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.5	173.7	-176.1	173.8	-69.9	0	0	110.2	T47 A49 C62 M89 R100	T47-M87 CarbonylContact O-C 3.57Å; T47-M87 WeakPolarHBondContact O-CA 3.16Å; T47-M87 WeakPolarHBondContact OG1-CA 3.48Å; T47-M87 WeakPolarHBondContact OG1-CB 3.26Å; T47-M87 WeakPolarHBondContact OG1-CE 3.31Å; A49-M87 HydrophobicContact CB-SD 4.33Å; C62-M87 WeakPolarHBondContact O-CE 3.33Å; M87-M89 HydrophobicContact CG-CG 3.93Å; M87-M89 HydrophobicContact SD-CG 4.22Å; M87-R100 HydrophobicContact CB-CB 4.34Å; M87-R100 PolarHBondContact N-O 3.28Å; M87-R100 PolarHBondContact O-N 2.99Å; M87-R100 PolarHBondContact SD-NH2 2.99Å
88	L	97.1	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	107.9	173.4	-59.3	-179.9	0	0	0	108.8	I46 T47 A49 L86 F90 P99 V121 F188 L192	I46-L88 HydrophobicContact CD1-CD1 4.46Å; I46-L88 HydrophobicContact CG2-CD1 3.67Å; I46-L88 HydrophobicContact CG2-CG 3.94Å; T47-L88 PolarHBondContact O-N 3.44Å; A49-L88 PolarHBondContact N-O 2.94Å; L86-L88 HydrophobicContact CD1-CD2 4.09Å; L86-L88 HydrophobicContact CG-CD2 4.26Å; L88-F90 HydrophobicContact CB-CD2 4.42Å; L88-F90 HydrophobicContact CB-CE2 3.69Å; L88-F90 HydrophobicContact CB-CZ 4.37Å; L88-P99 HydrophobicContact CD2-CB 3.89Å; L88-P99 HydrophobicContact CD2-CG 4.32Å; L88-V121 HydrophobicContact CD2-CG1 4.26Å; L88-V121 HydrophobicContact CD2-CG2 4.03Å; L88-F188 HydrophobicContact CD1-CE1 3.89Å; L88-F188 HydrophobicContact CD1-CZ 3.83Å; L88-L192 HydrophobicContact CD1-CD1 3.71Å; L88-L192 HydrophobicContact CD1-CD2 4.47Å
89	M	96.8	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115	-179.4	-60	-179.2	80.5	0	0	109.2	A49 V51 Y54 F57 M87 I97 F98 R100 F136	A49-M89 CarbonylContact O-C 3.5Å; A49-M89 WeakPolarHBondContact O-CA 3.39Å; V51-M89 HydrophobicContact CG1-CE 4.35Å; V51-M89 HydrophobicContact CG2-CB 3.9Å; V51-M89 HydrophobicContact CG2-CE 3.75Å; V51-M89 HydrophobicContact CG2-CG 4.32Å; Y54-M89 HydrophobicContact CD2-CE 3.67Å; Y54-M89 HydrophobicContact CD2-SD 4.36Å; Y54-M89 HydrophobicContact CE2-CE 3.62Å; Y54-M89 HydrophobicContact CE2-SD 3.77Å; F57-M89 HydrophobicContact CB-CE 3.7Å; F57-M89 HydrophobicContact CD1-CE 4.33Å; F57-M89 HydrophobicContact CD2-CE 4.24Å; F57-M89 HydrophobicContact CG-CE 3.83Å; M87-M89 HydrophobicContact CG-CG 3.93Å; M87-M89 HydrophobicContact SD-CG 4.22Å; M89-I97 CarbonylContact O-C 3.35Å; M89-I97 WeakPolarHBondContact O-CA 3.44Å; M89-F98 HydrophobicContact CB-CB 4.33Å; M89-F98 WeakPolarHBondContact CB-O 3.43Å; M89-F98 PolarHBondContact N-O 3.09Å; M89-F98 PolarHBondContact O-N 3.03Å; M89-F98 HydrophobicContact SD-CD1 3.95Å; M89-F98 HydrophobicContact SD-CE1 4.41Å; M89-R100 HydrophobicContact SD-CB 4.12Å; M89-F136 HydrophobicContact CB-CE1 3.78Å; M89-F136 HydrophobicContact CB-CZ 3.87Å; M89-F136 HydrophobicContact CE-CE1 4.42Å; M89-F136 WeakPolarHBondContact O-CZ 3.25Å
90	F	97.9	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.1	179.5	-66.7	-99.5	0	0	0	109.6	V48 A49 M50 V51 L88 V92 F95 Q96 I97 F188 A189 L192	V48-F90 HydrophobicContact CG1-CD2 3.91Å; V48-F90 HydrophobicContact CG1-CE2 3.79Å; A49-F90 PolarHBondContact O-N 3.23Å; M50-F90 CarbonylContact C-O 3.5Å; M50-F90 VanDerWaalsContact CA-O 3.28Å; M50-F90 WeakPolarHBondContact CA-O 3.17Å; M50-F90 HydrophobicContact CE-CD2 4.34Å; M50-F90 HydrophobicContact SD-CB 3.5Å; M50-F90 WeakPolarHBondContact SD-CB 3.47Å; M50-F90 HydrophobicContact SD-CD2 4.12Å; M50-F90 HydrophobicContact SD-CG 3.91Å; V51-F90 PolarHBondContact N-O 3.43Å; L88-F90 HydrophobicContact CB-CD2 4.42Å; L88-F90 HydrophobicContact CB-CE2 3.69Å; L88-F90 HydrophobicContact CB-CZ 4.37Å; F90-V92 PolarHBondContact O-N 3.19Å; F90-F95 HydrophobicContact CB-CD1 4.29Å; F90-F95 HydrophobicContact CD1-CB 4.43Å; F90-F95 AromaticContact CD1-CD1 3.69Å; F90-F95 HydrophobicContact CD1-CD1 3.69Å; F90-F95 HydrophobicContact CD1-CE1 4.32Å; F90-F95 HydrophobicContact CD1-CG 4.37Å; F90-F95 HydrophobicContact CE1-CD1 4.42Å; F90-F95 HydrophobicContact CG-CD1 4.28Å; F90-Q96 CarbonylContact C-O 3.5Å; F90-Q96 WeakPolarHBondContact CA-O 3.48Å; F90-I97 HydrophobicContact CD1-CD1 3.96Å; F90-I97 HydrophobicContact CD1-CG1 3.64Å; F90-I97 HydrophobicContact CE1-CD1 3.36Å; F90-I97 HydrophobicContact CE1-CG1 3.59Å; F90-I97 HydrophobicContact CE1-CG2 4.46Å; F90-I97 HydrophobicContact CG-CG1 4.48Å; F90-I97 HydrophobicContact CZ-CD1 4.04Å; F90-I97 HydrophobicContact CZ-CG1 4.39Å; F90-I97 HydrophobicContact CZ-CG2 4.49Å; F90-F188 AromaticContact CE1-CD1 3.95Å; F90-F188 HydrophobicContact CE1-CD1 3.95Å; F90-F188 HydrophobicContact CE1-CE1 4.44Å; F90-F188 AromaticContact CZ-CD1 3.78Å; F90-F188 HydrophobicContact CZ-CD1 3.78Å; F90-F188 AromaticContact CZ-CE1 3.93Å; F90-F188 HydrophobicContact CZ-CE1 3.93Å; F90-A189 HydrophobicContact CD1-CB 4.15Å; F90-A189 HydrophobicContact CE1-CB 3.62Å; F90-A189 HydrophobicContact CE2-CB 4.37Å; F90-A189 HydrophobicContact CZ-CB 3.75Å; F90-L192 HydrophobicContact CZ-CD1 4.42Å
91	A	97.3	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	127.9	170.1	0	0	0	0	0	109.3	A93 F95 Q96 F136 V139 L140	A91-A93 PolarHBondContact O-N 3.46Å; A91-A93 VanDerWaalsContact O-N 3.09Å; A91-F95 WeakPolarHBondContact O-CA 3.09Å; A91-F95 PolarHBondContact O-N 3.12Å; A91-Q96 PolarHBondContact N-O 3.45Å; A91-F136 HydrophobicContact CB-CE2 4.02Å; A91-F136 HydrophobicContact CB-CZ 4.38Å; A91-V139 HydrophobicContact CB-CG1 3.76Å; A91-L140 HydrophobicContact CB-CD2 3.88Å
92	V	96.5	Very high	96.2	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.6	-172.2	-69.2	0	0	0	0	113.3	M50 V51 F90 Y223 A225 T226	M50-V92 HydrophobicContact CB-CG1 3.68Å; V51-V92 PolarHBondContact O-N 3.34Å; F90-V92 PolarHBondContact O-N 3.19Å; V92-Y223 HydrophobicContact CG2-CE2 4Å; V92-A225 HydrophobicContact CB-CB 3.9Å; V92-A225 HydrophobicContact CG2-CB 3.9Å; V92-A225 CarbonylContact O-C 3.46Å; V92-T226 PolarHBondContact O-N 3.34Å
93	A	96.8	Very high	96.2	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-77.5	-179.3	0	0	0	0	0	113.1	A91 Q143 F146 Y224 T226	A91-A93 PolarHBondContact O-N 3.46Å; A91-A93 VanDerWaalsContact O-N 3.09Å; A93-Q143 HydrophobicContact CB-CB 3.93Å; A93-Q143 HydrophobicContact CB-CG 3.87Å; A93-F146 HydrophobicContact CB-CB 3.93Å; A93-F146 HydrophobicContact CB-CD1 3.9Å; A93-F146 HydrophobicContact CB-CG 4.05Å; A93-Y224 VanDerWaalsContact CA-O 3.29Å; A93-Y224 WeakPolarHBondContact CA-O 3.43Å; A93-T226 PolarHBondContact O-OG1 3.07Å; A93-T226 VanDerWaalsContact O-OG1 3.05Å
94	D	95.7	Very high	96.3	Very high	34 Å²	34	24.8 Å²	24.8	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.8	-172	72.2	-9.9	0	0	0	113.8	Q96 F146 Y182 R185	D94-Q96 PolarHBondContact O-N 3.41Å; D94-Q96 VanDerWaalsContact O-N 3.14Å; D94-Q96 PolarHBondContact OD1-N 3.14Å; D94-Q96 VanDerWaalsContact OD1-N 3.15Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.23Å; D94-F146 HydrophobicContact CB-CD2 3.61Å; D94-F146 HydrophobicContact CB-CE2 4.04Å; D94-F146 HydrophobicContact CB-CG 4.22Å; D94-Y182 WeakPolarHBondContact O-CD2 3.43Å; D94-R185 VanDerWaalsContact O-CZ 3.28Å; D94-R185 PolarHBondContact O-NE 2.84Å; D94-R185 PolarHBondContact O-NH2 3.25Å
95	F	98	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.			trans	60.7	19.7	177	-89.4	-119.6	0	0	0	114.7	M50 F90 A91 I97 Y182 R185 L186 A189 T226 M252	M50-F95 HydrophobicContact CE-CE1 4.08Å; M50-F95 HydrophobicContact CE-CZ 4.35Å; M50-F95 HydrophobicContact SD-CD1 4.43Å; M50-F95 HydrophobicContact SD-CE1 3.53Å; M50-F95 VanDerWaalsContact SD-CE1 3.53Å; M50-F95 HydrophobicContact SD-CE2 4.37Å; M50-F95 HydrophobicContact SD-CZ 3.5Å; M50-F95 VanDerWaalsContact SD-CZ 3.5Å; F90-F95 HydrophobicContact CB-CD1 4.29Å; F90-F95 HydrophobicContact CD1-CB 4.43Å; F90-F95 AromaticContact CD1-CD1 3.69Å; F90-F95 HydrophobicContact CD1-CD1 3.69Å; F90-F95 HydrophobicContact CD1-CE1 4.32Å; F90-F95 HydrophobicContact CD1-CG 4.37Å; F90-F95 HydrophobicContact CE1-CD1 4.42Å; F90-F95 HydrophobicContact CG-CD1 4.28Å; A91-F95 WeakPolarHBondContact O-CA 3.09Å; A91-F95 PolarHBondContact O-N 3.12Å; F95-I97 WeakPolarHBondContact O-CG1 3.43Å; F95-Y182 HydrophobicContact CB-CE2 4.47Å; F95-R185 HydrophobicContact CB-CB 3.92Å; F95-R185 VanDerWaalsContact O-CD 3.24Å; F95-R185 WeakPolarHBondContact O-CD 3.47Å; F95-L186 HydrophobicContact CD1-CD2 3.47Å; F95-L186 VanDerWaalsContact CD1-CD2 3.47Å; F95-L186 HydrophobicContact CD1-CG 4.17Å; F95-L186 HydrophobicContact CD2-CD2 3.89Å; F95-L186 HydrophobicContact CE1-CD2 3.45Å; F95-L186 VanDerWaalsContact CE1-CD2 3.45Å; F95-L186 HydrophobicContact CE2-CD2 3.92Å; F95-L186 HydrophobicContact CG-CD2 3.68Å; F95-L186 HydrophobicContact CG-CG 4.21Å; F95-L186 HydrophobicContact CZ-CD2 3.67Å; F95-A189 HydrophobicContact CD1-CB 4.13Å; F95-A189 HydrophobicContact CE1-CB 3.95Å; F95-T226 HydrophobicContact CD2-CG2 4.5Å; F95-T226 HydrophobicContact CE2-CG2 4.01Å; F95-T226 HydrophobicContact CZ-CG2 4.5Å; F95-M252 HydrophobicContact CE1-CE 3.63Å; F95-M252 HydrophobicContact CE1-CG 4.4Å; F95-M252 HydrophobicContact CE1-SD 4.27Å; F95-M252 HydrophobicContact CZ-CE 4.05Å; F95-M252 HydrophobicContact CZ-CG 4.06Å
96	Q	98.2	Very high	96.5	Very high	71 Å²	71	30.9 Å²	30.9	33%	0.332	16%	0.164	S	C	.	.			trans	-56.2	144.7	167.1	-79.6	-168.1	-32.3	0	0	111.1	F90 A91 D94 V139	F90-Q96 CarbonylContact C-O 3.5Å; F90-Q96 WeakPolarHBondContact CA-O 3.48Å; A91-Q96 PolarHBondContact N-O 3.45Å; D94-Q96 PolarHBondContact O-N 3.41Å; D94-Q96 VanDerWaalsContact O-N 3.14Å; D94-Q96 PolarHBondContact OD1-N 3.14Å; D94-Q96 VanDerWaalsContact OD1-N 3.15Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.23Å; Q96-V139 HydrophobicContact CB-CG1 3.81Å; Q96-V139 HydrophobicContact CG-CG1 4.48Å
97	I	98.2	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	-160.5	-49.6	177.5	0	0	0	110	M89 F90 F95 P99 L125 V129 C130 R185 F188	M89-I97 CarbonylContact O-C 3.35Å; M89-I97 WeakPolarHBondContact O-CA 3.44Å; F90-I97 HydrophobicContact CD1-CD1 3.96Å; F90-I97 HydrophobicContact CD1-CG1 3.64Å; F90-I97 HydrophobicContact CE1-CD1 3.36Å; F90-I97 HydrophobicContact CE1-CG1 3.59Å; F90-I97 HydrophobicContact CE1-CG2 4.46Å; F90-I97 HydrophobicContact CG-CG1 4.48Å; F90-I97 HydrophobicContact CZ-CD1 4.04Å; F90-I97 HydrophobicContact CZ-CG1 4.39Å; F90-I97 HydrophobicContact CZ-CG2 4.49Å; F95-I97 WeakPolarHBondContact O-CG1 3.43Å; I97-P99 HydrophobicContact CG2-CG 4.42Å; I97-L125 HydrophobicContact CD1-CD1 4.35Å; I97-L125 HydrophobicContact CD1-CD2 3.7Å; I97-V129 HydrophobicContact CB-CG1 4.26Å; I97-C130 WeakPolarHBondContact O-CB 3.43Å; I97-C130 PolarHBondContact O-N 3.02Å; I97-R185 HydrophobicContact CD1-CB 4.5Å; I97-R185 HydrophobicContact CD1-CG 4.36Å; I97-F188 HydrophobicContact CD1-CD1 3.47Å; I97-F188 VanDerWaalsContact CD1-CD1 3.47Å; I97-F188 HydrophobicContact CD1-CE1 3.83Å
98	F	97.9	Very high	96.3	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.088	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.8	165.7	174.6	-133.5	0	0	0	110.3	Y54 M89 R100 C130 E133 F136	Y54-F98 HydrophobicContact CE2-CD1 4.09Å; Y54-F98 HydrophobicContact CE2-CE1 4.01Å; M89-F98 HydrophobicContact CB-CB 4.33Å; M89-F98 WeakPolarHBondContact CB-O 3.43Å; M89-F98 PolarHBondContact N-O 3.09Å; M89-F98 PolarHBondContact O-N 3.03Å; M89-F98 HydrophobicContact SD-CD1 3.95Å; M89-F98 HydrophobicContact SD-CE1 4.41Å; F98-R100 HydrophobicContact CD1-CB 4.3Å; F98-R100 HydrophobicContact CE1-CB 3.91Å; F98-R100 HydrophobicContact CE1-CG 4.22Å; F98-R100 HydrophobicContact CZ-CB 4.27Å; F98-R100 PolarHBondContact O-N 2.78Å; F98-C130 HydrophobicContact CB-CB 4.02Å; F98-C130 HydrophobicContact CD2-CB 4.27Å; F98-C130 WeakPolarHBondContact CD2-O 3.1Å; F98-E133 HydrophobicContact CE1-CB 4.22Å; F98-E133 HydrophobicContact CZ-CB 4.25Å; F98-F136 HydrophobicContact CB-CB 3.73Å; F98-F136 HydrophobicContact CB-CD1 3.83Å; F98-F136 HydrophobicContact CB-CD2 3.52Å; F98-F136 HydrophobicContact CB-CE1 4.3Å; F98-F136 HydrophobicContact CB-CE2 4.03Å; F98-F136 HydrophobicContact CB-CG 3.41Å; F98-F136 VanDerWaalsContact CB-CG 3.41Å; F98-F136 HydrophobicContact CB-CZ 4.4Å; F98-F136 HydrophobicContact CD1-CB 4.13Å; F98-F136 AromaticContact CD1-CD1 3.98Å; F98-F136 HydrophobicContact CD1-CD1 3.98Å; F98-F136 HydrophobicContact CD1-CG 4.17Å; F98-F136 HydrophobicContact CG-CB 3.94Å; F98-F136 HydrophobicContact CG-CD1 4.29Å; F98-F136 HydrophobicContact CG-CG 4.04Å
99	P	97.3	Very high	96	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	98	172.2	-13	29.8	0	0	0	110.1	L86 L88 I97 V101 V118 V121 V129	L86-P99 HydrophobicContact CD1-CB 4.03Å; L88-P99 HydrophobicContact CD2-CB 3.89Å; L88-P99 HydrophobicContact CD2-CG 4.32Å; I97-P99 HydrophobicContact CG2-CG 4.42Å; P99-V101 PolarHBondContact O-N 3.41Å; P99-V118 HydrophobicContact CB-CG2 4.42Å; P99-V118 HydrophobicContact CG-CG1 4.41Å; P99-V121 HydrophobicContact CG-CB 4.41Å; P99-V121 HydrophobicContact CG-CG1 4.06Å; P99-V129 HydrophobicContact CG-CB 4.1Å; P99-V129 HydrophobicContact CG-CG1 4.42Å; P99-V129 HydrophobicContact CG-CG2 3.92Å
100	R	95.5	Very high	95.7	Very high	47 Å²	47	50.2 Å²	50.2	18%	0.177	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.3	177	-174.6	174.1	72.5	174	3.5	110	F57 M87 M89 F98 T102	F57-R100 PolarHBondContact O-NH1 3.21Å; M87-R100 HydrophobicContact CB-CB 4.34Å; M87-R100 PolarHBondContact N-O 3.28Å; M87-R100 PolarHBondContact O-N 2.99Å; M87-R100 PolarHBondContact SD-NH2 2.99Å; M89-R100 HydrophobicContact SD-CB 4.12Å; F98-R100 HydrophobicContact CD1-CB 4.3Å; F98-R100 HydrophobicContact CE1-CB 3.91Å; F98-R100 HydrophobicContact CE1-CG 4.22Å; F98-R100 HydrophobicContact CZ-CB 4.27Å; F98-R100 PolarHBondContact O-N 2.78Å; R100-T102 HydrophobicContact CG-CG2 4.28Å
101	V	95.4	Very high	95.3	Very high	51 Å²	51	51.3 Å²	51.3	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125	175.4	-178.2	0	0	0	0	109.6	Y81 L84 L86 P99 L117 V118	Y81-V101 HydrophobicContact CE1-CG1 4.42Å; L84-V101 HydrophobicContact CD1-CG1 3.81Å; L86-V101 HydrophobicContact CD1-CG2 3.99Å; P99-V101 PolarHBondContact O-N 3.41Å; V101-L117 HydrophobicContact CG1-CD1 3.83Å; V101-L117 HydrophobicContact CG2-CB 3.92Å; V101-L117 HydrophobicContact CG2-CD1 4.07Å; V101-V118 HydrophobicContact CG2-CG2 4.18Å
102	T	94	Very high	95	Very high	68 Å²	68	52.5 Å²	52.5	42%	0.417	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.6	173.9	55.7	0	0	0	0	110.2	L84 S85 R100	L84-T102 CarbonylContact C-O 3.44Å; L84-T102 WeakPolarHBondContact CA-O 3.41Å; S85-T102 PolarHBondContact N-O 3Å; S85-T102 PolarHBondContact O-N 3.42Å; R100-T102 HydrophobicContact CG-CG2 4.28Å
103	A	95	Very high	94.9	Very high	37 Å²	37	60 Å²	60	31%	0.306	30%	0.304	S	S	.	.			trans	-152.1	148.2	178.2	0	0	0	0	0	110.1	Y81 L84	Y81-A103 HydrophobicContact CD1-CB 3.73Å; Y81-A103 HydrophobicContact CG-CB 4.44Å; L84-A103 HydrophobicContact CD1-CB 4.3Å
104	D	95	Very high	94.9	Very high	115 Å²	115	61.7 Å²	61.7	62%	0.615	31%	0.314	S	S	*	.	S	Bend	trans	-72	-36.9	175.9	-82.6	27.8	0	0	0	111.3	K82 K83	K82-D104 PolarHBondContact O-N 2.7Å; K83-D104 HydrophobicContact CB-CB 4.17Å; K83-D104 HydrophobicContact CD-CB 4Å; K83-D104 WeakPolarHBondContact CD-OD2 3.41Å; K83-D104 WeakPolarHBondContact CE-OD2 3.14Å; K83-D104 IonicContact NZ-OD2 3.27Å; K83-D104 PolarHBondContact NZ-OD2 3.2Å
105	E	96	Very high	94.9	Very high	84 Å²	84	62.8 Å²	62.8	39%	0.393	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.5	-179.4	-161.7	-177.4	159.1	0	0	110.2	F38 Y81 K82	F38-E105 HydrophobicContact CE1-CB 4.33Å; F38-E105 HydrophobicContact CE1-CG 4.05Å; F38-E105 HydrophobicContact CZ-CG 4.3Å; F38-E105 WeakPolarHBondContact CZ-OE1 3.15Å; Y81-E105 CarbonylContact C-O 3.56Å; Y81-E105 WeakPolarHBondContact CA-O 3.34Å; K82-E105 HydrophobicContact CB-CB 4.04Å; K82-E105 HydrophobicContact CD-CB 4.14Å; K82-E105 WeakPolarHBondContact CD-OE2 3.36Å; K82-E105 WeakPolarHBondContact CE-OE2 3.47Å; K82-E105 HydrophobicContact CG-CB 4.26Å; K82-E105 PolarHBondContact N-O 3.32Å; K82-E105 IonicContact NZ-OE1 3.75Å; K82-E105 IonicContact NZ-OE2 3.35Å; K82-E105 PolarHBondContact NZ-OE2 2.85Å
106	I	96	Very high	94.9	Very high	101 Å²	101	66.5 Å²	66.5	52%	0.518	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.6	173.6	-59.8	174.9	0	0	0	108.3	G80 Y81 P114	G80-I106 WeakPolarHBondContact O-CA 3.16Å; Y81-I106 HydrophobicContact CD1-CG1 4.11Å; Y81-I106 HydrophobicContact CE1-CG1 4.25Å; I106-P114 HydrophobicContact CG2-CB 4.25Å; I106-P114 HydrophobicContact CG2-CG 3.97Å
107	V	95.4	Very high	94.8	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.042	32%	0.324	C	S	.	.			trans	-53.6	136.1	-179.1	67.5	0	0	0	0	111.8	F38 F79 G80 K109 M111 P114	F38-V107 HydrophobicContact CB-CB 4.49Å; F38-V107 HydrophobicContact CD1-CB 3.91Å; F38-V107 HydrophobicContact CD1-CG2 4.48Å; F38-V107 HydrophobicContact CD2-CB 4.39Å; F38-V107 HydrophobicContact CD2-CG2 4.09Å; F38-V107 HydrophobicContact CE1-CB 4.2Å; F38-V107 HydrophobicContact CE2-CG2 4.38Å; F38-V107 HydrophobicContact CG-CB 4.03Å; F38-V107 HydrophobicContact CG-CG2 4.16Å; F79-V107 HydrophobicContact CE1-CG1 4.29Å; F79-V107 HydrophobicContact CE1-CG2 4.48Å; F79-V107 HydrophobicContact CZ-CG1 4.48Å; F79-V107 HydrophobicContact CZ-CG2 3.89Å; G80-V107 PolarHBondContact O-N 2.68Å; V107-K109 PolarHBondContact O-N 3.37Å; V107-M111 HydrophobicContact CG2-CB 3.59Å; V107-M111 HydrophobicContact CG2-CG 4.29Å; V107-M111 HydrophobicContact CG2-SD 3.74Å; V107-P114 HydrophobicContact CG1-CB 4.1Å; V107-P114 HydrophobicContact CG1-CG 4.49Å
108	P	92.6	Very high	94.7	Very high	46 Å²	46	64.5 Å²	64.5	30%	0.299	33%	0.332	S	S	.	.			trans	-58.9	136.7	174	-24.3	33.4	0	0	0	111.3	K110 M111	P108-K110 PolarHBondContact O-N 3.46Å; P108-M111 HydrophobicContact CG-SD 4.49Å; P108-M111 PolarHBondContact O-N 2.91Å
109	K	90.9	Very high	94.6	Very high	208 Å²	208	65.8 Å²	65.8	90%	0.904	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-25.7	179.3	-67	-175.4	177.8	-178	0	114.8	V107	V107-K109 PolarHBondContact O-N 3.37Å
110	K	89.8	Confident	94.6	Very high	156 Å²	156	67.9 Å²	67.9	68%	0.678	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-26.8	179.2	-62.5	-176	179.9	-175	0	113.8	Y30 P108	Y30-K110 HydrophobicContact CE2-CB 4.01Å; P108-K110 PolarHBondContact O-N 3.46Å
111	M	90.1	Very high	94.7	Very high	22 Å²	22	65.6 Å²	65.6	11%	0.108	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-30.9	177.5	-72.4	-177.4	-177.1	0	0	111.6	Y30 D34 Y35 F38 V107 P108	Y30-M111 HydrophobicContact CD1-CE 3Å; Y30-M111 HydrophobicContact CD1-CG 4.15Å; Y30-M111 HydrophobicContact CD1-SD 4.36Å; Y30-M111 HydrophobicContact CD2-CE 4.2Å; Y30-M111 HydrophobicContact CD2-CG 3.55Å; Y30-M111 HydrophobicContact CE1-CE 3.33Å; Y30-M111 HydrophobicContact CE1-CG 4.25Å; Y30-M111 HydrophobicContact CE2-CE 4.46Å; Y30-M111 HydrophobicContact CE2-CG 3.68Å; Y30-M111 HydrophobicContact CG-CE 3.47Å; Y30-M111 VanDerWaalsContact CG-CE 3.47Å; Y30-M111 HydrophobicContact CG-CG 3.77Å; Y30-M111 HydrophobicContact CG-SD 4.38Å; D34-M111 HydrophobicContact CB-CE 3.65Å; Y35-M111 HydrophobicContact CE1-CB 3.83Å; Y35-M111 HydrophobicContact CE1-CG 4.27Å; Y35-M111 WeakPolarHBondContact CE1-O 3.45Å; F38-M111 HydrophobicContact CD2-SD 4.15Å; F38-M111 HydrophobicContact CE2-CE 4.28Å; F38-M111 HydrophobicContact CE2-SD 4.04Å; V107-M111 HydrophobicContact CG2-CB 3.59Å; V107-M111 HydrophobicContact CG2-CG 4.29Å; V107-M111 HydrophobicContact CG2-SD 3.74Å; P108-M111 HydrophobicContact CG-SD 4.49Å; P108-M111 PolarHBondContact O-N 2.91Å
112	G	91.7	Very high	94.7	Very high	25 Å²	25	66.7 Å²	66.7	26%	0.258	35%	0.35	S	S	.	.			trans	161.7	-177.8	180	0	0	0	0	0	112.4
113	K	94.6	Very high	94.8	Very high	162 Å²	162	71.6 Å²	71.6	70%	0.704	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-93.1	134	170.8	-170.8	-173.9	172.8	-170.2	0	108.2
114	P	96.1	Very high	94.9	Very high	35 Å²	35	72.2 Å²	72.2	23%	0.227	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.6	171.6	29.9	-35.7	0	0	0	110.9	Y81 I106 V107	Y81-P114 HydrophobicContact CE1-CB 4.26Å; Y81-P114 HydrophobicContact CE2-CB 3.84Å; I106-P114 HydrophobicContact CG2-CB 4.25Å; I106-P114 HydrophobicContact CG2-CG 3.97Å; V107-P114 HydrophobicContact CG1-CB 4.1Å; V107-P114 HydrophobicContact CG1-CG 4.49Å
115	D	96.4	Very high	94.9	Very high	57 Å²	57	66.8 Å²	66.8	31%	0.305	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.1	139.4	175.1	-68	-26.6	0	0	0	110.9	I78 F79 Y81 L117	I78-D115 HydrophobicContact CG2-CB 3.91Å; F79-D115 PolarHBondContact N-OD2 3.34Å; F79-D115 PolarHBondContact O-N 2.96Å; Y81-D115 WeakPolarHBondContact CE2-O 3.35Å; Y81-D115 PolarHBondContact OH-O 3.43Å; D115-L117 PolarHBondContact O-N 3.08Å
116	D	96.1	Very high	94.9	Very high	78 Å²	78	69.4 Å²	69.4	42%	0.417	34%	0.34	S	S	.	.			trans	-91.8	91.6	-177.3	-169.5	-23.5	0	0	0	110.4	V118 A119 I120	D116-V118 VanDerWaalsContact C-N 3.29Å; D116-V118 PolarHBondContact O-N 3.46Å; D116-V118 PolarHBondContact OD1-N 3.38Å; D116-A119 HydrophobicContact CB-CB 3.86Å; D116-A119 VanDerWaalsContact CG-CB 3.43Å; D116-A119 PolarHBondContact O-N 2.92Å; D116-A119 PolarHBondContact OD1-N 3.18Å; D116-I120 VanDerWaalsContact O-CG1 3.3Å; D116-I120 WeakPolarHBondContact O-CG1 3.16Å; D116-I120 PolarHBondContact O-N 3.36Å
117	L	96.3	Very high	94.9	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-32.3	-177.2	-66.8	162.5	0	0	0	112.9	F73 I78 Y81 L84 L86 V101 D115 I120 V121	F73-L117 HydrophobicContact CE1-CD2 3.86Å; I78-L117 HydrophobicContact CD1-CD2 3.99Å; I78-L117 HydrophobicContact CG1-CD2 4.07Å; I78-L117 HydrophobicContact CG2-CD2 4.03Å; I78-L117 HydrophobicContact CG2-CG 4.48Å; Y81-L117 HydrophobicContact CE2-CD1 4.29Å; L84-L117 HydrophobicContact CD1-CD1 3.64Å; L84-L117 HydrophobicContact CD2-CD1 3.68Å; L84-L117 HydrophobicContact CG-CD1 4.1Å; L86-L117 HydrophobicContact CD2-CB 4.43Å; L86-L117 HydrophobicContact CD2-CD2 4.37Å; V101-L117 HydrophobicContact CG1-CD1 3.83Å; V101-L117 HydrophobicContact CG2-CB 3.92Å; V101-L117 HydrophobicContact CG2-CD1 4.07Å; D115-L117 PolarHBondContact O-N 3.08Å; L117-I120 HydrophobicContact CD2-CD1 4.42Å; L117-I120 PolarHBondContact O-N 3.5Å; L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 3.34Å
118	V	97	Very high	95	Very high	30 Å²	30	71 Å²	71	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-68	-44.5	177.5	-176.8	0	0	0	0	109.1	P99 V101 D116 I120 V121 Q122 V129	P99-V118 HydrophobicContact CB-CG2 4.42Å; P99-V118 HydrophobicContact CG-CG1 4.41Å; V101-V118 HydrophobicContact CG2-CG2 4.18Å; D116-V118 VanDerWaalsContact C-N 3.29Å; D116-V118 PolarHBondContact O-N 3.46Å; D116-V118 PolarHBondContact OD1-N 3.38Å; V118-I120 PolarHBondContact O-N 2.98Å; V118-V121 PolarHBondContact O-N 2.9Å; V118-Q122 VanDerWaalsContact O-CB 3.32Å; V118-Q122 WeakPolarHBondContact O-CB 3.46Å; V118-Q122 PolarHBondContact O-N 3.02Å; V118-V129 HydrophobicContact CG1-CG2 3.75Å
119	A	96.6	Very high	95.3	Very high	47 Å²	47	69 Å²	69	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-38.1	175.3	0	0	0	0	0	112.7	D116 Q122 R123	D116-A119 HydrophobicContact CB-CB 3.86Å; D116-A119 VanDerWaalsContact CG-CB 3.43Å; D116-A119 PolarHBondContact O-N 2.92Å; D116-A119 PolarHBondContact OD1-N 3.18Å; A119-Q122 PolarHBondContact O-N 2.6Å; A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å
120	I	96.3	Very high	95.6	Very high	48 Å²	48	59.3 Å²	59.3	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-50.6	174.9	-71.1	164.7	0	0	0	110.4	I72 F73 D116 L117 V118 Q122 R123 F124	I72-I120 HydrophobicContact CG2-CG2 3.99Å; I72-I120 VanDerWaalsContact O-CG2 3.32Å; I72-I120 WeakPolarHBondContact O-CG2 3.5Å; F73-I120 HydrophobicContact CD1-CG2 3.96Å; F73-I120 HydrophobicContact CE1-CG2 4.21Å; D116-I120 VanDerWaalsContact O-CG1 3.3Å; D116-I120 WeakPolarHBondContact O-CG1 3.16Å; D116-I120 PolarHBondContact O-N 3.36Å; L117-I120 HydrophobicContact CD2-CD1 4.42Å; L117-I120 PolarHBondContact O-N 3.5Å; V118-I120 PolarHBondContact O-N 2.98Å; I120-Q122 PolarHBondContact O-N 3.06Å; I120-R123 PolarHBondContact O-N 3.45Å; I120-F124 PolarHBondContact O-N 3.05Å
121	V	96.7	Very high	95.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-47.2	178.2	170.4	0	0	0	0	111	L86 L88 P99 L117 V118 R123 F124 L125 V129 F188	L86-V121 HydrophobicContact CD2-CG2 4.26Å; L88-V121 HydrophobicContact CD2-CG1 4.26Å; L88-V121 HydrophobicContact CD2-CG2 4.03Å; P99-V121 HydrophobicContact CG-CB 4.41Å; P99-V121 HydrophobicContact CG-CG1 4.06Å; L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 3.34Å; V118-V121 PolarHBondContact O-N 2.9Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 3Å; V121-F124 PolarHBondContact O-N 3.05Å; V121-L125 VanDerWaalsContact O-CB 3.26Å; V121-L125 WeakPolarHBondContact O-CB 3.26Å; V121-L125 PolarHBondContact O-N 3.3Å; V121-V129 HydrophobicContact CG1-CG1 4.35Å; V121-F188 HydrophobicContact CG1-CE1 4.12Å; V121-F188 HydrophobicContact CG1-CZ 3.82Å
122	Q	97	Very high	96.2	Very high	74 Å²	74	58.6 Å²	58.6	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-37.8	179.6	-177.8	170.1	-46.3	0	0	112.3	V118 A119 I120 E126 L127 V129 Q131	V118-Q122 VanDerWaalsContact O-CB 3.32Å; V118-Q122 WeakPolarHBondContact O-CB 3.46Å; V118-Q122 PolarHBondContact O-N 3.02Å; A119-Q122 PolarHBondContact O-N 2.6Å; I120-Q122 PolarHBondContact O-N 3.06Å; Q122-E126 WeakPolarHBondContact O-CA 3.2Å; Q122-E126 PolarHBondContact O-N 3.42Å; Q122-L127 WeakPolarHBondContact CG-O 3.08Å; Q122-V129 HydrophobicContact CB-CG2 4.21Å; Q122-Q131 VanDerWaalsContact OE1-NE2 3.17Å
123	R	96.1	Very high	96.4	Very high	170 Å²	170	61 Å²	61	64%	0.642	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-44.5	176.6	179.1	178.9	172.6	-149.9	-11.6	111.6	E74 A119 I120 V121 E126	E74-R123 IonicContact OE1-CZ 3.25Å; E74-R123 IonicContact OE1-NH1 3.63Å; E74-R123 PolarHBondContact OE1-NH1 2.91Å; E74-R123 IonicContact OE1-NH2 2.74Å; E74-R123 PolarHBondContact OE1-NH2 2.93Å; E74-R123 IonicContact OE2-NH1 3.72Å; A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å; I120-R123 PolarHBondContact O-N 3.45Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 3Å; R123-E126 WeakPolarHBondContact O-CG 3.24Å
124	F	95.4	Very high	96.5	Very high	51 Å²	51	58.7 Å²	58.7	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-68.4	-42	178.1	-175	-94.1	0	0	0	111.8	Q71 I72 I120 V121 E126 F188 F199	Q71-F124 HydrophobicContact CB-CE2 4.12Å; Q71-F124 HydrophobicContact CB-CZ 4.06Å; Q71-F124 WeakPolarHBondContact O-CD2 3.2Å; Q71-F124 WeakPolarHBondContact O-CE2 3.37Å; I72-F124 HydrophobicContact CG1-CD1 3.97Å; I72-F124 HydrophobicContact CG1-CE1 4.06Å; I72-F124 HydrophobicContact CG1-CG 4.25Å; I72-F124 HydrophobicContact CG1-CZ 4.44Å; I72-F124 HydrophobicContact CG2-CB 4.5Å; I120-F124 PolarHBondContact O-N 3.05Å; V121-F124 PolarHBondContact O-N 3.05Å; F124-E126 VanDerWaalsContact C-N 3.32Å; F124-E126 PolarHBondContact O-N 2.84Å; F124-F188 AromaticContact CD1-CD2 3.67Å; F124-F188 HydrophobicContact CD1-CD2 3.67Å; F124-F188 AromaticContact CD1-CE2 3.61Å; F124-F188 HydrophobicContact CD1-CE2 3.61Å; F124-F188 AromaticContact CE1-CD2 3.85Å; F124-F188 HydrophobicContact CE1-CD2 3.85Å; F124-F188 HydrophobicContact CE1-CE2 4.05Å; F124-F199 HydrophobicContact CD1-CE2 4.44Å; F124-F199 HydrophobicContact CD1-CZ 4.47Å; F124-F199 AromaticContact CE1-CE2 3.87Å; F124-F199 HydrophobicContact CE1-CE2 3.87Å; F124-F199 HydrophobicContact CE1-CZ 4.01Å; F124-F199 HydrophobicContact CZ-CE2 4.2Å
125	L	95.7	Very high	96.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.1	-27.3	178.4	-179.8	67.2	0	0	0	112.5	I97 V121 L127 V129 R184 R185 F188	I97-L125 HydrophobicContact CD1-CD1 4.35Å; I97-L125 HydrophobicContact CD1-CD2 3.7Å; V121-L125 VanDerWaalsContact O-CB 3.26Å; V121-L125 WeakPolarHBondContact O-CB 3.26Å; V121-L125 PolarHBondContact O-N 3.3Å; L125-L127 HydrophobicContact CD1-CD1 4.49Å; L125-L127 HydrophobicContact CD2-CB 3.93Å; L125-L127 HydrophobicContact CG-CB 3.87Å; L125-L127 HydrophobicContact CG-CD1 4.49Å; L125-L127 HydrophobicContact CG-CG 4.45Å; L125-L127 PolarHBondContact O-N 3Å; L125-L127 VanDerWaalsContact O-N 3.1Å; L125-V129 HydrophobicContact CD2-CG1 3.68Å; L125-R184 HydrophobicContact CD1-CG 4.42Å; L125-R184 PolarHBondContact O-NE 3.19Å; L125-R184 PolarHBondContact O-NH2 3Å; L125-R185 HydrophobicContact CD1-CG 4.41Å; L125-F188 HydrophobicContact CD1-CB 3.5Å; L125-F188 VanDerWaalsContact CD1-CB 3.5Å; L125-F188 HydrophobicContact CD1-CD1 4.05Å; L125-F188 HydrophobicContact CD1-CD2 4.4Å; L125-F188 HydrophobicContact CD1-CG 3.73Å
126	E	95.9	Very high	96.7	Very high	140 Å²	140	57.7 Å²	57.7	65%	0.654	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	25.6	-172.3	-51.7	178.4	157.6	0	0	113.8	Q122 R123 F124 R184	Q122-E126 WeakPolarHBondContact O-CA 3.2Å; Q122-E126 PolarHBondContact O-N 3.42Å; R123-E126 WeakPolarHBondContact O-CG 3.24Å; F124-E126 VanDerWaalsContact C-N 3.32Å; F124-E126 PolarHBondContact O-N 2.84Å; E126-R184 VanDerWaalsContact CG-NH2 3.33Å; E126-R184 IonicContact OE2-CZ 3.07Å; E126-R184 VanDerWaalsContact OE2-CZ 3.26Å; E126-R184 IonicContact OE2-NH1 2.75Å; E126-R184 PolarHBondContact OE2-NH1 2.9Å; E126-R184 IonicContact OE2-NH2 2.66Å; E126-R184 PolarHBondContact OE2-NH2 3.33Å
127	L	97	Very high	96.7	Very high	35 Å²	35	58 Å²	58	18%	0.183	29%	0.29	C	S	.	.	S	Bend	trans	-135.1	152.5	172.5	-66.3	170.9	0	0	0	109.5	Q122 L125 A181 R184 R185	Q122-L127 WeakPolarHBondContact CG-O 3.08Å; L125-L127 HydrophobicContact CD1-CD1 4.49Å; L125-L127 HydrophobicContact CD2-CB 3.93Å; L125-L127 HydrophobicContact CG-CB 3.87Å; L125-L127 HydrophobicContact CG-CD1 4.49Å; L125-L127 HydrophobicContact CG-CG 4.45Å; L125-L127 PolarHBondContact O-N 3Å; L125-L127 VanDerWaalsContact O-N 3.1Å; L127-A181 HydrophobicContact CD1-CB 4.25Å; L127-A181 VanDerWaalsContact CD1-O 3.32Å; L127-A181 WeakPolarHBondContact CD1-O 3.18Å; L127-A181 HydrophobicContact CD2-CB 4.24Å; L127-R184 HydrophobicContact CD1-CB 3.87Å; L127-R184 HydrophobicContact CD1-CG 3.86Å; L127-R185 HydrophobicContact CD1-CG 3.97Å
128	P	97.2	Very high	96.7	Very high	105 Å²	105	63.7 Å²	63.7	68%	0.682	32%	0.317	S	S	*	.			trans	-60.1	143.4	174.1	26.7	-35.2	0	0	0	111.4
129	V	98.1	Very high	96.7	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	31%	0.314	C	S	.	.			trans	-116.1	155.4	171	-59.9	0	0	0	0	109.2	I97 P99 V118 V121 Q122 L125 Q131	I97-V129 HydrophobicContact CB-CG1 4.26Å; P99-V129 HydrophobicContact CG-CB 4.1Å; P99-V129 HydrophobicContact CG-CG1 4.42Å; P99-V129 HydrophobicContact CG-CG2 3.92Å; V118-V129 HydrophobicContact CG1-CG2 3.75Å; V121-V129 HydrophobicContact CG1-CG1 4.35Å; Q122-V129 HydrophobicContact CB-CG2 4.21Å; L125-V129 HydrophobicContact CD2-CG1 3.68Å; V129-Q131 PolarHBondContact O-N 3.49Å; V129-Q131 PolarHBondContact O-NE2 3.14Å
130	C	98	Very high	96.6	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.027	30%	0.3	C	S	.	.			trans	-62.1	131.2	173.7	-61.7	0	0	0	0	109.7	I97 F98 E135 F136	I97-C130 WeakPolarHBondContact O-CB 3.43Å; I97-C130 PolarHBondContact O-N 3.02Å; F98-C130 HydrophobicContact CB-CB 4.02Å; F98-C130 HydrophobicContact CD2-CB 4.27Å; F98-C130 WeakPolarHBondContact CD2-O 3.1Å; C130-E135 WeakPolarHBondContact CA-OE2 3.36Å; C130-E135 HydrophobicContact CB-CB 4.4Å; C130-E135 HydrophobicContact CB-CG 4.18Å; C130-F136 HydrophobicContact CB-CB 4.16Å; C130-F136 HydrophobicContact CB-CD2 4.45Å
131	Q	96.4	Very high	96.5	Very high	114 Å²	114	63.5 Å²	63.5	53%	0.533	32%	0.321	S	S	.	.			trans	-93.1	-12.7	-175.2	-58.2	-61.8	-47.6	0	0	112.4	Q122 V129 E135	Q122-Q131 VanDerWaalsContact OE1-NE2 3.17Å; V129-Q131 PolarHBondContact O-N 3.49Å; V129-Q131 PolarHBondContact O-NE2 3.14Å; Q131-E135 PolarHBondContact N-OE2 3.35Å
132	S	96.3	Very high	96.3	Very high	50 Å²	50	68.5 Å²	68.5	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-147.6	157.1	-178.1	68.8	0	0	0	0	112.3	L134 E135 F136	S132-L134 PolarHBondContact O-N 3.1Å; S132-E135 PolarHBondContact O-N 2.88Å; S132-E135 PolarHBondContact OG-N 3.38Å; S132-F136 PolarHBondContact O-N 2.84Å; S132-F136 VanDerWaalsContact O-N 3.11Å
133	E	95.3	Very high	96.2	Very high	76 Å²	76	65.7 Å²	65.7	36%	0.355	33%	0.334	S	S	.	.	H	α-helix	trans	-56	-39	171.4	172.5	175.6	153.9	0	0	111.8	Y54 F98 E135 F136 R137	Y54-E133 HydrophobicContact CD1-CG 4.33Å; Y54-E133 HydrophobicContact CE1-CG 3.68Å; Y54-E133 WeakPolarHBondContact CE1-OE1 3.4Å; Y54-E133 WeakPolarHBondContact CE1-OE2 3.34Å; Y54-E133 HydrophobicContact CE2-CG 3.99Å; Y54-E133 VanDerWaalsContact CZ-CG 3.47Å; Y54-E133 PolarHBondContact OH-OE2 3.17Å; F98-E133 HydrophobicContact CE1-CB 4.22Å; F98-E133 HydrophobicContact CZ-CB 4.25Å; E133-E135 PolarHBondContact O-N 2.95Å; E133-F136 PolarHBondContact O-N 3.19Å; E133-R137 HydrophobicContact CG-CG 4.32Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.31Å; E133-R137 IonicContact OE1-CZ 3.18Å; E133-R137 VanDerWaalsContact OE1-CZ 3.28Å; E133-R137 IonicContact OE1-NE 2.78Å; E133-R137 PolarHBondContact OE1-NE 2.89Å; E133-R137 IonicContact OE1-NH2 2.74Å; E133-R137 PolarHBondContact OE1-NH2 3Å
134	L	97	Very high	96.1	Very high	113 Å²	113	59.3 Å²	59.3	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-62.6	-44.9	-179.4	-179	148.4	0	0	0	111.6	S132 R137 Q138	S132-L134 PolarHBondContact O-N 3.1Å; L134-R137 PolarHBondContact O-N 3.33Å; L134-Q138 WeakPolarHBondContact O-CG 3.39Å; L134-Q138 PolarHBondContact O-N 2.9Å; L134-Q138 VanDerWaalsContact O-N 3.12Å
135	E	97.8	Very high	96	Very high	71 Å²	71	59.9 Å²	59.9	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-45.6	175.9	-174.8	-176	172	0	0	110.6	C130 Q131 S132 E133 R137 Q138 V139	C130-E135 WeakPolarHBondContact CA-OE2 3.36Å; C130-E135 HydrophobicContact CB-CB 4.4Å; C130-E135 HydrophobicContact CB-CG 4.18Å; Q131-E135 PolarHBondContact N-OE2 3.35Å; S132-E135 PolarHBondContact O-N 2.88Å; S132-E135 PolarHBondContact OG-N 3.38Å; E133-E135 PolarHBondContact O-N 2.95Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.42Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 2.51Å; E135-Q138 VanDerWaalsContact O-N 3.08Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.19Å
136	F	97.7	Very high	96	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-37.4	178.7	-168.8	-121.1	0	0	0	112.7	V51 Y54 M89 A91 F98 C130 S132 E133 Q138 V139 L140	V51-F136 HydrophobicContact CB-CE1 4.06Å; V51-F136 HydrophobicContact CB-CZ 4.11Å; V51-F136 HydrophobicContact CG1-CE1 4.05Å; V51-F136 HydrophobicContact CG2-CE1 4.29Å; V51-F136 HydrophobicContact CG2-CZ 4.41Å; Y54-F136 AromaticContact CD2-CD1 3.78Å; Y54-F136 HydrophobicContact CD2-CD1 3.78Å; Y54-F136 HydrophobicContact CD2-CE1 4.16Å; Y54-F136 HydrophobicContact CE2-CD1 4.2Å; M89-F136 HydrophobicContact CB-CE1 3.78Å; M89-F136 HydrophobicContact CB-CZ 3.87Å; M89-F136 HydrophobicContact CE-CE1 4.42Å; M89-F136 WeakPolarHBondContact O-CZ 3.25Å; A91-F136 HydrophobicContact CB-CE2 4.02Å; A91-F136 HydrophobicContact CB-CZ 4.38Å; F98-F136 HydrophobicContact CB-CB 3.73Å; F98-F136 HydrophobicContact CB-CD1 3.83Å; F98-F136 HydrophobicContact CB-CD2 3.52Å; F98-F136 HydrophobicContact CB-CE1 4.3Å; F98-F136 HydrophobicContact CB-CE2 4.03Å; F98-F136 HydrophobicContact CB-CG 3.41Å; F98-F136 VanDerWaalsContact CB-CG 3.41Å; F98-F136 HydrophobicContact CB-CZ 4.4Å; F98-F136 HydrophobicContact CD1-CB 4.13Å; F98-F136 AromaticContact CD1-CD1 3.98Å; F98-F136 HydrophobicContact CD1-CD1 3.98Å; F98-F136 HydrophobicContact CD1-CG 4.17Å; F98-F136 HydrophobicContact CG-CB 3.94Å; F98-F136 HydrophobicContact CG-CD1 4.29Å; F98-F136 HydrophobicContact CG-CG 4.04Å; C130-F136 HydrophobicContact CB-CB 4.16Å; C130-F136 HydrophobicContact CB-CD2 4.45Å; S132-F136 PolarHBondContact O-N 2.84Å; S132-F136 VanDerWaalsContact O-N 3.11Å; E133-F136 PolarHBondContact O-N 3.19Å; F136-Q138 VanDerWaalsContact C-N 3.28Å; F136-Q138 PolarHBondContact O-N 3.07Å; F136-V139 WeakPolarHBondContact O-CB 3.45Å; F136-V139 PolarHBondContact O-N 2.66Å; F136-L140 HydrophobicContact CD1-CD1 3.94Å; F136-L140 HydrophobicContact CD1-CG 4.36Å; F136-L140 HydrophobicContact CE1-CD1 3.77Å; F136-L140 HydrophobicContact CE1-CD2 4.33Å; F136-L140 HydrophobicContact CE1-CG 4.16Å; F136-L140 HydrophobicContact CZ-CD1 4.38Å; F136-L140 HydrophobicContact CZ-CD2 4.12Å; F136-L140 HydrophobicContact CZ-CG 4.32Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 2.93Å
137	R	96.5	Very high	96.1	Very high	84 Å²	84	59.6 Å²	59.6	32%	0.317	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-34.4	172.5	-74.6	178.6	179.7	-87.4	8.4	112.5	Y54 D55 E133 L134 E135 L140 A141	Y54-R137 VanDerWaalsContact CD1-CZ 3.4Å; Y54-R137 HydrophobicContact CG-CG 4.36Å; D55-R137 IonicContact OD1-CZ 2.86Å; D55-R137 VanDerWaalsContact OD1-CZ 3.27Å; D55-R137 IonicContact OD1-NH1 3.28Å; D55-R137 PolarHBondContact OD1-NH1 3.41Å; D55-R137 IonicContact OD1-NH2 2.83Å; D55-R137 PolarHBondContact OD1-NH2 2.92Å; D55-R137 IonicContact OD2-NH1 3.56Å; D55-R137 PolarHBondContact OD2-NH1 2.98Å; E133-R137 HydrophobicContact CG-CG 4.32Å; E133-R137 WeakPolarHBondContact O-CG 3.41Å; E133-R137 PolarHBondContact O-N 3.31Å; E133-R137 IonicContact OE1-CZ 3.18Å; E133-R137 VanDerWaalsContact OE1-CZ 3.28Å; E133-R137 IonicContact OE1-NE 2.78Å; E133-R137 PolarHBondContact OE1-NE 2.89Å; E133-R137 IonicContact OE1-NH2 2.74Å; E133-R137 PolarHBondContact OE1-NH2 3Å; L134-R137 PolarHBondContact O-N 3.33Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.42Å; R137-L140 PolarHBondContact O-N 3.49Å; R137-A141 WeakPolarHBondContact O-CB 3.19Å; R137-A141 PolarHBondContact O-N 3.25Å
138	Q	96.3	Very high	96.1	Very high	121 Å²	121	58.8 Å²	58.8	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-41.3	174.1	-69	171.2	-16.9	0	0	111.7	L134 E135 F136 A141 N142	L134-Q138 WeakPolarHBondContact O-CG 3.39Å; L134-Q138 PolarHBondContact O-N 2.9Å; L134-Q138 VanDerWaalsContact O-N 3.12Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 2.51Å; E135-Q138 VanDerWaalsContact O-N 3.08Å; F136-Q138 VanDerWaalsContact C-N 3.28Å; F136-Q138 PolarHBondContact O-N 3.07Å; Q138-A141 PolarHBondContact O-N 3.2Å; Q138-N142 PolarHBondContact O-N 3.3Å; Q138-N142 VanDerWaalsContact O-N 3.11Å
139	V	96.4	Very high	96.2	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.121	30%	0.301	C	S	.	.	H	α-helix	trans	-57.1	-50.3	172.1	172	0	0	0	0	110.5	A91 Q96 E135 F136 A141 N142 Q143	A91-V139 HydrophobicContact CB-CG1 3.76Å; Q96-V139 HydrophobicContact CB-CG1 3.81Å; Q96-V139 HydrophobicContact CG-CG1 4.48Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.19Å; F136-V139 WeakPolarHBondContact O-CB 3.45Å; F136-V139 PolarHBondContact O-N 2.66Å; V139-A141 VanDerWaalsContact C-N 3.29Å; V139-A141 PolarHBondContact O-N 3.36Å; V139-N142 PolarHBondContact O-N 2.99Å; V139-Q143 PolarHBondContact O-N 2.89Å
140	L	95	Very high	96.2	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-36.6	179.1	-66.3	175.7	0	0	0	112.6	V51 A91 F136 R137 N142 Q143	V51-L140 HydrophobicContact CB-CD2 4.36Å; V51-L140 HydrophobicContact CG1-CD1 3.76Å; V51-L140 HydrophobicContact CG1-CD2 4.21Å; V51-L140 WeakPolarHBondContact O-CD2 3.45Å; A91-L140 HydrophobicContact CB-CD2 3.88Å; F136-L140 HydrophobicContact CD1-CD1 3.94Å; F136-L140 HydrophobicContact CD1-CG 4.36Å; F136-L140 HydrophobicContact CE1-CD1 3.77Å; F136-L140 HydrophobicContact CE1-CD2 4.33Å; F136-L140 HydrophobicContact CE1-CG 4.16Å; F136-L140 HydrophobicContact CZ-CD1 4.38Å; F136-L140 HydrophobicContact CZ-CD2 4.12Å; F136-L140 HydrophobicContact CZ-CG 4.32Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 2.93Å; R137-L140 PolarHBondContact O-N 3.49Å; L140-N142 VanDerWaalsContact C-N 3.28Å; L140-N142 PolarHBondContact O-N 3.1Å; L140-Q143 VanDerWaalsContact O-CG 3.28Å; L140-Q143 WeakPolarHBondContact O-CG 3.33Å; L140-Q143 PolarHBondContact O-NE2 3.4Å
141	A	93.9	Very high	96.2	Very high	83 Å²	83	64.9 Å²	64.9	69%	0.686	36%	0.355	S	S	*	.	H	α-helix	trans	-68.3	-25.8	176.3	0	0	0	0	0	113.1	R137 Q138 V139	R137-A141 WeakPolarHBondContact O-CB 3.19Å; R137-A141 PolarHBondContact O-N 3.25Å; Q138-A141 PolarHBondContact O-N 3.2Å; V139-A141 VanDerWaalsContact C-N 3.29Å; V139-A141 PolarHBondContact O-N 3.36Å
142	N	94.2	Very high	96.2	Very high	105 Å²	105	63.5 Å²	63.5	56%	0.561	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	12	-178.1	-164.3	42.4	0	0	0	114	Q138 V139 L140 S144 A145	Q138-N142 PolarHBondContact O-N 3.3Å; Q138-N142 VanDerWaalsContact O-N 3.11Å; V139-N142 PolarHBondContact O-N 2.99Å; L140-N142 VanDerWaalsContact C-N 3.28Å; L140-N142 PolarHBondContact O-N 3.1Å; N142-S144 PolarHBondContact O-N 2.77Å; N142-S144 VanDerWaalsContact O-N 3.09Å; N142-A145 VanDerWaalsContact O-CB 3.31Å; N142-A145 WeakPolarHBondContact O-CB 3.34Å; N142-A145 PolarHBondContact O-N 3.43Å
143	Q	93.3	Very high	96.3	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.065	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27.1	-176.9	-75.2	-179.8	79.8	0	0	114.4	S52 A93 V139 L140 A145 F146 Y223	S52-Q143 PolarHBondContact O-NE2 2.67Å; S52-Q143 VanDerWaalsContact O-NE2 3.08Å; A93-Q143 HydrophobicContact CB-CB 3.93Å; A93-Q143 HydrophobicContact CB-CG 3.87Å; V139-Q143 PolarHBondContact O-N 2.89Å; L140-Q143 VanDerWaalsContact O-CG 3.28Å; L140-Q143 WeakPolarHBondContact O-CG 3.33Å; L140-Q143 PolarHBondContact O-NE2 3.4Å; Q143-A145 PolarHBondContact O-N 3.39Å; Q143-F146 WeakPolarHBondContact O-CB 3.05Å; Q143-F146 PolarHBondContact O-N 3.09Å; Q143-Y223 HydrophobicContact CB-CD2 4.48Å; Q143-Y223 HydrophobicContact CB-CG 4.48Å
144	S	93.9	Very high	96.3	Very high	37 Å²	37	59.3 Å²	59.3	26%	0.259	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-69.2	-15.9	177.9	57.9	0	0	0	0	113.8	N142 F146 K147 G220	N142-S144 PolarHBondContact O-N 2.77Å; N142-S144 VanDerWaalsContact O-N 3.09Å; S144-F146 VanDerWaalsContact C-N 3.34Å; S144-K147 PolarHBondContact O-NZ 3.35Å; S144-G220 VanDerWaalsContact CB-O 3.26Å; S144-G220 WeakPolarHBondContact CB-O 3.44Å; S144-G220 PolarHBondContact OG-O 3.11Å
145	A	94.7	Very high	96.3	Very high	62 Å²	62	55.9 Å²	55.9	51%	0.512	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-72.5	-27.8	172.9	0	0	0	0	0	112.6	N142 Q143	N142-A145 VanDerWaalsContact O-CB 3.31Å; N142-A145 WeakPolarHBondContact O-CB 3.34Å; N142-A145 PolarHBondContact O-N 3.43Å; Q143-A145 PolarHBondContact O-N 3.39Å
146	F	96.3	Very high	96.2	Very high	24 Å²	24	53.2 Å²	53.2	11%	0.105	30%	0.299	C	S	.	.			trans	-66.9	136.6	175.8	176.5	-100	0	0	0	110.8	A93 D94 Q143 S144 F149 Y182 H213	A93-F146 HydrophobicContact CB-CB 3.93Å; A93-F146 HydrophobicContact CB-CD1 3.9Å; A93-F146 HydrophobicContact CB-CG 4.05Å; D94-F146 HydrophobicContact CB-CD2 3.61Å; D94-F146 HydrophobicContact CB-CE2 4.04Å; D94-F146 HydrophobicContact CB-CG 4.22Å; Q143-F146 WeakPolarHBondContact O-CB 3.05Å; Q143-F146 PolarHBondContact O-N 3.09Å; S144-F146 VanDerWaalsContact C-N 3.34Å; F146-F149 HydrophobicContact CE2-CD2 4.23Å; F146-F149 AromaticContact CE2-CE2 3.74Å; F146-F149 HydrophobicContact CE2-CE2 3.74Å; F146-F149 HydrophobicContact CZ-CD2 4.48Å; F146-F149 HydrophobicContact CZ-CE2 4.41Å; F146-Y182 HydrophobicContact CE2-CD2 4.16Å; F146-Y182 AromaticContact CE2-CE2 3.97Å; F146-Y182 HydrophobicContact CE2-CE2 3.97Å; F146-Y182 HydrophobicContact CZ-CE1 4.32Å; F146-Y182 AromaticContact CZ-CE2 3.89Å; F146-Y182 HydrophobicContact CZ-CE2 3.89Å; F146-Y182 AromaticContact CZ-CZ 3.78Å; F146-H213 AromaticContact CE1-CE1 3.73Å; F146-H213 AromaticContact CZ-CE1 3.89Å
147	K	96.6	Very high	96	Very high	110 Å²	110	58.3 Å²	58.3	48%	0.478	32%	0.322	S	S	.	.			trans	-130	139.5	172.7	-59.9	-63.4	166.5	-136.4	0	109	S144 F149 T222 Y224	S144-K147 PolarHBondContact O-NZ 3.35Å; K147-F149 PolarHBondContact O-N 2.9Å; K147-T222 PolarHBondContact NZ-O 3.19Å; K147-Y224 HydrophobicContact CD-CE2 4.16Å
148	P	97.8	Very high	95.8	Very high	19 Å²	19	57.5 Å²	57.5	12%	0.123	32%	0.321	C	S	.	.			trans	-53.4	138.9	177.2	-29	36.3	0	0	0	112	Y170 Y224	P148-Y170 HydrophobicContact CB-CD1 3.72Å; P148-Y170 HydrophobicContact CB-CD2 3.62Å; P148-Y170 HydrophobicContact CB-CE1 3.62Å; P148-Y170 HydrophobicContact CB-CE2 3.49Å; P148-Y170 VanDerWaalsContact CB-CE2 3.49Å; P148-Y170 HydrophobicContact CB-CG 3.72Å; P148-Y170 HydrophobicContact CG-CD2 4.19Å; P148-Y170 HydrophobicContact CG-CE1 4.37Å; P148-Y170 HydrophobicContact CG-CE2 3.67Å; P148-Y224 VanDerWaalsContact CD-CD2 3.42Å; P148-Y224 HydrophobicContact CG-CD1 3.53Å; P148-Y224 HydrophobicContact CG-CD2 3.96Å; P148-Y224 HydrophobicContact CG-CE1 3.92Å; P148-Y224 HydrophobicContact CG-CE2 4.3Å; P148-Y224 HydrophobicContact CG-CG 3.52Å
149	F	98.3	Very high	95.4	Very high	49 Å²	49	60.5 Å²	60.5	22%	0.215	33%	0.327	C	S	.	.			trans	-79.9	156	175.7	-65.9	-83.1	0	0	0	111.2	F146 K147 Y170 V172 A178 F179 Y182	F146-F149 HydrophobicContact CE2-CD2 4.23Å; F146-F149 AromaticContact CE2-CE2 3.74Å; F146-F149 HydrophobicContact CE2-CE2 3.74Å; F146-F149 HydrophobicContact CZ-CD2 4.48Å; F146-F149 HydrophobicContact CZ-CE2 4.41Å; K147-F149 PolarHBondContact O-N 2.9Å; F149-Y170 WeakPolarHBondContact O-CB 3.27Å; F149-Y170 WeakPolarHBondContact O-CD1 3.44Å; F149-V172 HydrophobicContact CB-CG1 4.5Å; F149-V172 HydrophobicContact CB-CG2 3.91Å; F149-A178 HydrophobicContact CE1-CB 4.06Å; F149-A178 HydrophobicContact CZ-CB 4.13Å; F149-F179 HydrophobicContact CB-CD2 3.77Å; F149-F179 HydrophobicContact CB-CE2 4.26Å; F149-F179 HydrophobicContact CD1-CB 4.08Å; F149-F179 HydrophobicContact CD1-CD2 4.25Å; F149-F179 AromaticContact CD2-CD2 3.7Å; F149-F179 HydrophobicContact CD2-CD2 3.7Å; F149-F179 HydrophobicContact CD2-CE2 4.41Å; F149-F179 HydrophobicContact CE1-CB 4.23Å; F149-F179 HydrophobicContact CE2-CD2 4.3Å; F149-F179 HydrophobicContact CG-CB 4.34Å; F149-F179 AromaticContact CG-CD2 3.66Å; F149-F179 HydrophobicContact CG-CD2 3.66Å; F149-F179 HydrophobicContact CG-CE2 4.49Å; F149-F179 HydrophobicContact CG-CG 4.39Å; F149-Y182 AromaticContact CD2-CD1 3.6Å; F149-Y182 HydrophobicContact CD2-CD1 3.6Å; F149-Y182 AromaticContact CD2-CE1 3.97Å; F149-Y182 HydrophobicContact CD2-CE1 3.97Å; F149-Y182 HydrophobicContact CD2-CG 4.2Å; F149-Y182 AromaticContact CE2-CD1 3.61Å; F149-Y182 HydrophobicContact CE2-CD1 3.61Å; F149-Y182 HydrophobicContact CE2-CD2 4.47Å; F149-Y182 HydrophobicContact CE2-CE1 4.26Å; F149-Y182 AromaticContact CE2-CG 3.71Å; F149-Y182 HydrophobicContact CE2-CG 3.71Å
150	G	97.8	Very high	94.7	Very high	51 Å²	51	62 Å²	62	53%	0.526	35%	0.346	S	S	.	.	S	Bend	trans	72.8	-155.5	173.3	0	0	0	0	0	114.6	N171	G150-N171 CarbonylContact C-O 3.54Å; G150-N171 VanDerWaalsContact CA-O 3.26Å; G150-N171 WeakPolarHBondContact CA-O 3.42Å
151	Q	98	Very high	94.2	Very high	141 Å²	141	65.1 Å²	65.1	66%	0.659	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.3	-173.6	-178.2	177.8	-2.9	0	0	111.2	I153 Y170 N171	Q151-I153 PolarHBondContact O-N 3.39Å; Q151-Y170 CarbonylContact O-C 3.58Å; Q151-Y170 VanDerWaalsContact O-CA 3.28Å; Q151-Y170 WeakPolarHBondContact O-CA 3.39Å; Q151-N171 PolarHBondContact N-O 2.98Å; Q151-N171 PolarHBondContact O-N 3.27Å
152	K	98.3	Very high	93.8	Very high	85 Å²	85	67.1 Å²	67.1	37%	0.37	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.3	170.7	-173.7	175.6	175.7	175.9	0	109.9	E166 E168 V169 Y170	K152-E166 IonicContact NZ-OE1 3.08Å; K152-E168 HydrophobicContact CD-CG 4.46Å; K152-E168 IonicContact NZ-OE1 2.67Å; K152-E168 PolarHBondContact NZ-OE1 2.9Å; K152-E168 IonicContact NZ-OE2 3.73Å; K152-V169 WeakPolarHBondContact CA-O 3.29Å; K152-Y170 HydrophobicContact CB-CD1 4.06Å; K152-Y170 HydrophobicContact CB-CE1 3.64Å; K152-Y170 HydrophobicContact CB-CE2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 4.44Å; K152-Y170 HydrophobicContact CG-CE2 4.3Å
153	I	96.7	Very high	93.5	Very high	34 Å²	34	66.7 Å²	66.7	17%	0.174	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-23.6	179.3	63.5	169.2	0	0	0	112.7	Q151 V169 N171 Y210 D271 K438	Q151-I153 PolarHBondContact O-N 3.39Å; I153-V169 HydrophobicContact CD1-CB 4.43Å; I153-V169 HydrophobicContact CD1-CG1 3.75Å; I153-V169 HydrophobicContact CG1-CB 3.96Å; I153-V169 HydrophobicContact CG1-CG1 3.77Å; I153-V169 WeakPolarHBondContact CG1-O 3.39Å; I153-V169 PolarHBondContact N-O 3.14Å; I153-N171 HydrophobicContact CD1-CB 4.48Å; I153-N171 HydrophobicContact CG2-CB 3.7Å; I153-Y210 HydrophobicContact CD1-CD1 3.52Å; I153-Y210 HydrophobicContact CD1-CE1 3.51Å; I153-D271 HydrophobicContact CD1-CB 3.85Å; I153-D271 WeakPolarHBondContact CG2-OD1 3.2Å; I153-K438 PolarHBondContact O-NZ 3.02Å
154	A	96.2	Very high	93.5	Very high	5 Å²	5	69.1 Å²	69.1	4%	0.041	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.6	-178.4	0	0	0	0	0	113	E168 V169 E267	A154-E168 WeakPolarHBondContact O-CA 3.32Å; A154-V169 HydrophobicContact CB-CB 4.08Å; A154-V169 HydrophobicContact CB-CG2 4.25Å; A154-V169 PolarHBondContact N-O 3.16Å; A154-V169 PolarHBondContact O-N 2.82Å; A154-E267 HydrophobicContact CB-CB 3.96Å; A154-E267 VanDerWaalsContact CB-CD 3.41Å; A154-E267 HydrophobicContact CB-CG 3.65Å; A154-E267 WeakPolarHBondContact CB-OE2 3.47Å
155	A	96.5	Very high	93.5	Very high	41 Å²	41	71.9 Å²	71.9	34%	0.339	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.3	164.4	0	0	0	0	0	110.1	F167 E168	A155-F167 CarbonylContact C-O 3.55Å; A155-F167 WeakPolarHBondContact CA-O 3.45Å; A155-F167 WeakPolarHBondContact CB-O 3.39Å; A155-E168 HydrophobicContact CB-CG 4.34Å
156	Y	95.6	Very high	93.6	Very high	15 Å²	15	71.6 Å²	71.6	6%	0.059	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.2	171.7	63.9	-87.8	0	0	0	111	K158 F167 L212 H260 R263	Y156-K158 HydrophobicContact CD2-CG 4.22Å; Y156-K158 HydrophobicContact CE2-CD 4.09Å; Y156-K158 HydrophobicContact CE2-CG 4.19Å; Y156-F167 HydrophobicContact CD1-CB 3.99Å; Y156-F167 HydrophobicContact CD2-CB 4.01Å; Y156-F167 AromaticContact CD2-CD2 3.85Å; Y156-F167 HydrophobicContact CD2-CD2 3.85Å; Y156-F167 HydrophobicContact CD2-CG 4.23Å; Y156-F167 HydrophobicContact CE1-CB 3.6Å; Y156-F167 HydrophobicContact CE1-CG 4.44Å; Y156-F167 HydrophobicContact CE2-CB 3.62Å; Y156-F167 AromaticContact CE2-CD2 3.5Å; Y156-F167 HydrophobicContact CE2-CD2 3.5Å; Y156-F167 HydrophobicContact CE2-CE2 4.39Å; Y156-F167 AromaticContact CE2-CG 3.63Å; Y156-F167 HydrophobicContact CE2-CG 3.63Å; Y156-F167 HydrophobicContact CG-CB 4.18Å; Y156-F167 AromaticContact CZ-CG 3.76Å; Y156-F167 PolarHBondContact N-O 3.28Å; Y156-F167 PolarHBondContact O-N 3.13Å; Y156-L212 HydrophobicContact CE1-CD1 3.78Å; Y156-L212 WeakPolarHBondContact OH-CD1 3.14Å; Y156-H260 AromaticContact CE2-ND1 3.89Å; Y156-H260 AromaticContact CZ-ND1 3.83Å; Y156-H260 PolarHBondContact OH-ND1 3.31Å; Y156-R263 VanDerWaalsContact CB-CZ 3.46Å; Y156-R263 HydrophobicContact CD1-CG 3.52Å; Y156-R263 HydrophobicContact CD2-CG 3.99Å; Y156-R263 HydrophobicContact CE1-CB 4.34Å; Y156-R263 HydrophobicContact CE1-CG 3.54Å; Y156-R263 HydrophobicContact CE2-CB 4.46Å; Y156-R263 HydrophobicContact CE2-CG 4.01Å; Y156-R263 HydrophobicContact CG-CG 3.75Å
157	E	94.2	Very high	93.7	Very high	107 Å²	107	70.5 Å²	70.5	50%	0.5	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	149.3	178.1	-65.1	178.1	178.4	0	0	110.4	R159 V164 R165	E157-R159 IonicContact OE2-CZ 3.57Å; E157-R159 IonicContact OE2-NE 3.05Å; E157-R159 IonicContact OE2-NH2 2.91Å; E157-R159 PolarHBondContact OE2-NH2 2.94Å; E157-V164 HydrophobicContact CB-CG1 4.16Å; E157-V164 HydrophobicContact CG-CG1 4.14Å; E157-R165 CarbonylContact C-O 3.51Å; E157-R165 VanDerWaalsContact CA-O 3.3Å; E157-R165 WeakPolarHBondContact CA-O 3.42Å
158	K	91.6	Very high	93.8	Very high	66 Å²	66	65.5 Å²	65.5	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.7	163.9	-60	176.5	77.8	-174.7	0	109.1	Y156 R165 F167 C258 H260	Y156-K158 HydrophobicContact CD2-CG 4.22Å; Y156-K158 HydrophobicContact CE2-CD 4.09Å; Y156-K158 HydrophobicContact CE2-CG 4.19Å; K158-R165 PolarHBondContact N-O 3.11Å; K158-R165 PolarHBondContact O-N 2.95Å; K158-F167 HydrophobicContact CB-CE2 3.89Å; K158-F167 HydrophobicContact CD-CD2 4.26Å; K158-F167 HydrophobicContact CD-CE2 3.75Å; K158-F167 HydrophobicContact CD-CZ 4.3Å; K158-F167 HydrophobicContact CG-CD2 4.17Å; K158-F167 HydrophobicContact CG-CE2 3.78Å; K158-C258 PolarHBondContact NZ-O 3.36Å; K158-H260 WeakPolarHBondContact CD-CE1 3.33Å; K158-H260 PolarHBondContact NZ-CE1 2.9Å; K158-H260 PolarHBondContact NZ-NE2 3.38Å
159	R	88.4	Confident	93.8	Very high	184 Å²	184	64.6 Å²	64.6	69%	0.694	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.9	-176.9	-59.3	-175.5	178.5	-117.5	-9.6	109.4	E157 D163 V164	E157-R159 IonicContact OE2-CZ 3.57Å; E157-R159 IonicContact OE2-NE 3.05Å; E157-R159 IonicContact OE2-NH2 2.91Å; E157-R159 PolarHBondContact OE2-NH2 2.94Å; R159-D163 WeakPolarHBondContact CA-O 3.22Å; R159-V164 HydrophobicContact CG-CG2 4.25Å
160	G	80.9	Confident	93.8	Very high	51 Å²	51	63.6 Å²	63.6	53%	0.526	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	94.8	173.5	0	0	0	0	0	109.6	S162 D163	G160-S162 PolarHBondContact O-N 3.17Å; G160-D163 PolarHBondContact N-O 3.49Å; G160-D163 PolarHBondContact O-N 2.88Å
161	G	85.3	Confident	93.9	Very high	84 Å²	84	61.7 Å²	61.7	87%	0.866	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-118.5	-172.1	0	0	0	0	0	111
162	S	84.4	Confident	93.9	Very high	126 Å²	126	55.2 Å²	55.2	88%	0.881	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-12	175.1	57.8	0	0	0	0	114.1	G160	G160-S162 PolarHBondContact O-N 3.17Å
163	D	88.6	Confident	93.8	Very high	96 Å²	96	55 Å²	55	51%	0.513	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.9	-177.1	-170.8	28.1	0	0	0	110.9	R159 G160	R159-D163 WeakPolarHBondContact CA-O 3.22Å; G160-D163 PolarHBondContact N-O 3.49Å; G160-D163 PolarHBondContact O-N 2.88Å
164	V	92.5	Very high	93.7	Very high	65 Å²	65	61.1 Å²	61.1	39%	0.394	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.2	178.9	-176.2	0	0	0	0	107.8	E157 R159	E157-V164 HydrophobicContact CB-CG1 4.16Å; E157-V164 HydrophobicContact CG-CG1 4.14Å; R159-V164 HydrophobicContact CG-CG2 4.25Å
165	R	95	Very high	93.6	Very high	94 Å²	94	63.6 Å²	63.6	36%	0.355	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.7	179.8	-63.5	172.6	63.6	-177.3	2.7	109.2	E157 K158 F167 E214	E157-R165 CarbonylContact C-O 3.51Å; E157-R165 VanDerWaalsContact CA-O 3.3Å; E157-R165 WeakPolarHBondContact CA-O 3.42Å; K158-R165 PolarHBondContact N-O 3.11Å; K158-R165 PolarHBondContact O-N 2.95Å; R165-F167 HydrophobicContact CB-CE2 3.61Å; R165-F167 HydrophobicContact CB-CZ 3.69Å; R165-F167 WeakPolarHBondContact O-CD2 3.48Å; R165-F167 WeakPolarHBondContact O-CE2 3.49Å; R165-E214 IonicContact CZ-OE1 3.94Å; R165-E214 IonicContact CZ-OE2 3.84Å; R165-E214 IonicContact NE-OE1 2.69Å; R165-E214 PolarHBondContact NE-OE1 2.86Å; R165-E214 IonicContact NE-OE2 3.05Å; R165-E214 IonicContact NH2-OE1 3.96Å; R165-E214 PolarHBondContact NH2-OE1 3.03Å; R165-E214 IonicContact NH2-OE2 3.87Å; R165-E214 PolarHBondContact NH2-OE2 3.35Å
166	E	96.8	Very high	93.6	Very high	57 Å²	57	64.4 Å²	64.4	27%	0.266	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.2	-179.6	-172.5	-178.2	176.6	0	0	109.8	K152 E214 K215	K152-E166 IonicContact NZ-OE1 3.08Å; E166-E214 WeakPolarHBondContact O-CA 3.4Å; E166-K215 HydrophobicContact CB-CB 4.39Å; E166-K215 PolarHBondContact O-N 2.93Å; E166-K215 IonicContact OE1-NZ 3.4Å; E166-K215 PolarHBondContact OE1-NZ 3.31Å; E166-K215 WeakPolarHBondContact OE2-CD 3.29Å; E166-K215 IonicContact OE2-NZ 2.77Å; E166-K215 PolarHBondContact OE2-NZ 3.34Å
167	F	98.1	Very high	93.6	Very high	1 Å²	1	72.2 Å²	72.2	0%	0.004	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.3	178.5	-56.9	-86.3	0	0	0	109.5	A155 Y156 K158 R165 L212 H213 E214 L227 H260	A155-F167 CarbonylContact C-O 3.55Å; A155-F167 WeakPolarHBondContact CA-O 3.45Å; A155-F167 WeakPolarHBondContact CB-O 3.39Å; Y156-F167 HydrophobicContact CD1-CB 3.99Å; Y156-F167 HydrophobicContact CD2-CB 4.01Å; Y156-F167 AromaticContact CD2-CD2 3.85Å; Y156-F167 HydrophobicContact CD2-CD2 3.85Å; Y156-F167 HydrophobicContact CD2-CG 4.23Å; Y156-F167 HydrophobicContact CE1-CB 3.6Å; Y156-F167 HydrophobicContact CE1-CG 4.44Å; Y156-F167 HydrophobicContact CE2-CB 3.62Å; Y156-F167 AromaticContact CE2-CD2 3.5Å; Y156-F167 HydrophobicContact CE2-CD2 3.5Å; Y156-F167 HydrophobicContact CE2-CE2 4.39Å; Y156-F167 AromaticContact CE2-CG 3.63Å; Y156-F167 HydrophobicContact CE2-CG 3.63Å; Y156-F167 HydrophobicContact CG-CB 4.18Å; Y156-F167 AromaticContact CZ-CG 3.76Å; Y156-F167 PolarHBondContact N-O 3.28Å; Y156-F167 PolarHBondContact O-N 3.13Å; K158-F167 HydrophobicContact CB-CE2 3.89Å; K158-F167 HydrophobicContact CD-CD2 4.26Å; K158-F167 HydrophobicContact CD-CE2 3.75Å; K158-F167 HydrophobicContact CD-CZ 4.3Å; K158-F167 HydrophobicContact CG-CD2 4.17Å; K158-F167 HydrophobicContact CG-CE2 3.78Å; R165-F167 HydrophobicContact CB-CE2 3.61Å; R165-F167 HydrophobicContact CB-CZ 3.69Å; R165-F167 WeakPolarHBondContact O-CD2 3.48Å; R165-F167 WeakPolarHBondContact O-CE2 3.49Å; F167-L212 HydrophobicContact CB-CD1 4.31Å; F167-H213 CarbonylContact C-O 3.58Å; F167-H213 VanDerWaalsContact CA-O 3.23Å; F167-H213 WeakPolarHBondContact CA-O 3.41Å; F167-E214 HydrophobicContact CD1-CB 3.71Å; F167-E214 HydrophobicContact CD1-CG 3.98Å; F167-E214 HydrophobicContact CE1-CB 3.64Å; F167-E214 HydrophobicContact CE1-CG 3.59Å; F167-E214 HydrophobicContact CZ-CG 4.18Å; F167-L227 HydrophobicContact CD1-CD2 3.71Å; F167-L227 HydrophobicContact CE1-CD2 3.63Å; F167-H260 AromaticContact CD1-CE1 3.79Å; F167-H260 AromaticContact CE1-CE1 3.38Å; F167-H260 WeakPolarHBondContact CE1-CE1 3.38Å; F167-H260 AromaticContact CE2-CE1 3.82Å; F167-H260 AromaticContact CZ-CE1 3.41Å; F167-H260 VanDerWaalsContact CZ-CE1 3.41Å; F167-H260 WeakPolarHBondContact CZ-CE1 3.34Å
168	E	98.4	Very high	93.7	Very high	4 Å²	4	70 Å²	70	2%	0.019	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.7	-175.7	-58.8	-174	157.3	0	0	110	K152 A154 A155 Y170 H213 K215 Y224	K152-E168 HydrophobicContact CD-CG 4.46Å; K152-E168 IonicContact NZ-OE1 2.67Å; K152-E168 PolarHBondContact NZ-OE1 2.9Å; K152-E168 IonicContact NZ-OE2 3.73Å; A154-E168 WeakPolarHBondContact O-CA 3.32Å; A155-E168 HydrophobicContact CB-CG 4.34Å; E168-Y170 HydrophobicContact CB-CD2 4.18Å; E168-Y170 HydrophobicContact CB-CE2 3.6Å; E168-Y170 WeakPolarHBondContact OE2-CE2 3.4Å; E168-Y170 PolarHBondContact OE2-OH 2.8Å; E168-H213 PolarHBondContact N-O 3.37Å; E168-H213 PolarHBondContact O-N 2.88Å; E168-K215 IonicContact OE1-NZ 3.26Å; E168-Y224 WeakPolarHBondContact OE2-CE1 3.35Å
169	V	98.6	Very high	94	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.8	176.2	-174.7	0	0	0	0	108.9	K152 I153 A154 I211 L212 F264 E267	K152-V169 WeakPolarHBondContact CA-O 3.29Å; I153-V169 HydrophobicContact CD1-CB 4.43Å; I153-V169 HydrophobicContact CD1-CG1 3.75Å; I153-V169 HydrophobicContact CG1-CB 3.96Å; I153-V169 HydrophobicContact CG1-CG1 3.77Å; I153-V169 WeakPolarHBondContact CG1-O 3.39Å; I153-V169 PolarHBondContact N-O 3.14Å; A154-V169 HydrophobicContact CB-CB 4.08Å; A154-V169 HydrophobicContact CB-CG2 4.25Å; A154-V169 PolarHBondContact N-O 3.16Å; A154-V169 PolarHBondContact O-N 2.82Å; V169-I211 WeakPolarHBondContact CA-O 3.42Å; V169-L212 HydrophobicContact CG2-CD1 3.85Å; V169-F264 HydrophobicContact CG1-CD2 3.93Å; V169-F264 HydrophobicContact CG1-CE2 3.68Å; V169-F264 HydrophobicContact CG2-CD2 4.02Å; V169-F264 HydrophobicContact CG2-CE2 4.49Å; V169-E267 HydrophobicContact CG2-CB 4.33Å; V169-E267 HydrophobicContact CG2-CG 4.4Å
170	Y	98.8	Very high	94.4	Very high	28 Å²	28	59.3 Å²	59.3	11%	0.11	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.5	179	-75	-102.6	0	0	0	110.8	P148 F149 Q151 K152 E168 Y210 I211 H213	P148-Y170 HydrophobicContact CB-CD1 3.72Å; P148-Y170 HydrophobicContact CB-CD2 3.62Å; P148-Y170 HydrophobicContact CB-CE1 3.62Å; P148-Y170 HydrophobicContact CB-CE2 3.49Å; P148-Y170 VanDerWaalsContact CB-CE2 3.49Å; P148-Y170 HydrophobicContact CB-CG 3.72Å; P148-Y170 HydrophobicContact CG-CD2 4.19Å; P148-Y170 HydrophobicContact CG-CE1 4.37Å; P148-Y170 HydrophobicContact CG-CE2 3.67Å; F149-Y170 WeakPolarHBondContact O-CB 3.27Å; F149-Y170 WeakPolarHBondContact O-CD1 3.44Å; Q151-Y170 CarbonylContact O-C 3.58Å; Q151-Y170 VanDerWaalsContact O-CA 3.28Å; Q151-Y170 WeakPolarHBondContact O-CA 3.39Å; K152-Y170 HydrophobicContact CB-CD1 4.06Å; K152-Y170 HydrophobicContact CB-CE1 3.64Å; K152-Y170 HydrophobicContact CB-CE2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 4.44Å; K152-Y170 HydrophobicContact CG-CE2 4.3Å; E168-Y170 HydrophobicContact CB-CD2 4.18Å; E168-Y170 HydrophobicContact CB-CE2 3.6Å; E168-Y170 WeakPolarHBondContact OE2-CE2 3.4Å; E168-Y170 PolarHBondContact OE2-OH 2.8Å; Y170-Y210 CarbonylContact O-C 3.53Å; Y170-Y210 VanDerWaalsContact O-CA 3.24Å; Y170-Y210 WeakPolarHBondContact O-CA 3.5Å; Y170-I211 PolarHBondContact N-O 3.28Å; Y170-I211 PolarHBondContact O-N 3.48Å; Y170-H213 AromaticContact CD2-CD2 3.84Å
171	N	98.6	Very high	95.2	Very high	11 Å²	11	58 Å²	58	6%	0.059	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.8	174.4	178.9	-104.8	0	0	0	110.3	G150 Q151 I153 E208 Y209 Y210	G150-N171 CarbonylContact C-O 3.54Å; G150-N171 VanDerWaalsContact CA-O 3.26Å; G150-N171 WeakPolarHBondContact CA-O 3.42Å; Q151-N171 PolarHBondContact N-O 2.98Å; Q151-N171 PolarHBondContact O-N 3.27Å; I153-N171 HydrophobicContact CD1-CB 4.48Å; I153-N171 HydrophobicContact CG2-CB 3.7Å; N171-E208 WeakPolarHBondContact ND2-CG 3.29Å; N171-E208 PolarHBondContact ND2-OE1 3.21Å; N171-Y209 CarbonylContact C-O 3.58Å; N171-Y209 WeakPolarHBondContact CA-O 3.43Å; N171-Y210 HydrophobicContact CB-CD1 4.16Å; N171-Y210 HydrophobicContact CB-CE1 4.07Å; N171-Y210 VanDerWaalsContact ND2-CE1 3.25Å; N171-Y210 WeakPolarHBondContact ND2-CE1 3.08Å; N171-Y210 WeakPolarHBondContact ND2-CE2 3.13Å; N171-Y210 PolarHBondContact ND2-OH 3.06Å
172	V	98.4	Very high	95.9	Very high	5 Å²	5	54 Å²	54	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.6	-178.8	-165.8	0	0	0	0	109.3	F149 E174 F179 Y209 I211	F149-V172 HydrophobicContact CB-CG1 4.5Å; F149-V172 HydrophobicContact CB-CG2 3.91Å; V172-E174 WeakPolarHBondContact CG1-O 3.49Å; V172-F179 HydrophobicContact CB-CE1 4.01Å; V172-F179 HydrophobicContact CB-CE2 4.16Å; V172-F179 HydrophobicContact CB-CZ 3.77Å; V172-F179 HydrophobicContact CG1-CD1 3.7Å; V172-F179 HydrophobicContact CG1-CD2 4.13Å; V172-F179 HydrophobicContact CG1-CE1 3.56Å; V172-F179 HydrophobicContact CG1-CE2 4.02Å; V172-F179 HydrophobicContact CG1-CG 4Å; V172-F179 HydrophobicContact CG1-CZ 3.74Å; V172-F179 HydrophobicContact CG2-CD2 4.49Å; V172-F179 HydrophobicContact CG2-CE2 3.9Å; V172-F179 HydrophobicContact CG2-CZ 3.97Å; V172-Y209 PolarHBondContact N-O 3.19Å; V172-Y209 PolarHBondContact O-N 2.66Å; V172-I211 HydrophobicContact CG2-CD1 4.01Å
173	T	96.5	Very high	96.5	Very high	82 Å²	82	48.2 Å²	48.2	50%	0.503	26%	0.26	S	S	.	.			trans	-109.1	-14.8	176.8	50.5	0	0	0	0	112.7	E208	T173-E208 HydrophobicContact CG2-CG 3.92Å
174	E	93.9	Very high	97	Very high	161 Å²	161	46.1 Å²	46.1	75%	0.752	25%	0.245	S	C	*	.	S	Bend	trans	-105.5	130.7	-179	-64.7	-175.1	177.3	0	0	111.5	V172 S176	V172-E174 WeakPolarHBondContact CG1-O 3.49Å; E174-S176 PolarHBondContact O-N 2.79Å
175	M	95.3	Very high	97.2	Very high	58 Å²	58	44.3 Å²	44.3	29%	0.286	23%	0.231	S	C	.	.			trans	-95.9	90.5	179.7	-167.7	65.1	66.2	0	0	111.3	F179 A180 I183 A202 Y209	M175-F179 HydrophobicContact CE-CD1 4.16Å; M175-F179 HydrophobicContact CE-CE1 4.07Å; M175-F179 HydrophobicContact SD-CD1 3.58Å; M175-F179 VanDerWaalsContact SD-CD1 3.58Å; M175-F179 HydrophobicContact SD-CE1 4.08Å; M175-A180 HydrophobicContact CG-CB 4.13Å; M175-A180 HydrophobicContact SD-CB 3.7Å; M175-I183 HydrophobicContact SD-CG2 4.41Å; M175-A202 HydrophobicContact CG-CB 3.9Å; M175-A202 WeakPolarHBondContact CG-O 3.22Å; M175-A202 HydrophobicContact SD-CB 4.36Å; M175-Y209 HydrophobicContact CE-CD2 4.42Å; M175-Y209 HydrophobicContact CE-CE2 3.43Å; M175-Y209 VanDerWaalsContact CE-CE2 3.43Å
176	S	95.8	Very high	97.4	Very high	57 Å²	57	39.8 Å²	39.8	40%	0.399	21%	0.214	S	C	.	.			trans	-81	159.4	167.5	68.5	0	0	0	0	111.3	E174 A178 F179 A180	E174-S176 PolarHBondContact O-N 2.79Å; S176-A178 VanDerWaalsContact C-N 3.29Å; S176-A178 PolarHBondContact O-N 3.18Å; S176-F179 PolarHBondContact O-N 2.91Å; S176-F179 VanDerWaalsContact O-N 3.15Å; S176-F179 VanDerWaalsContact OG-CB 3.28Å; S176-F179 WeakPolarHBondContact OG-CB 3.43Å; S176-F179 PolarHBondContact OG-N 3.39Å; S176-F179 VanDerWaalsContact OG-N 3.14Å; S176-A180 WeakPolarHBondContact O-CB 3.45Å; S176-A180 PolarHBondContact O-N 2.97Å
177	E	95.7	Very high	97.4	Very high	179 Å²	179	37.2 Å²	37.2	84%	0.836	20%	0.202	S	C	*	.	H	α-helix	trans	-58	-41.3	176.3	-174.7	178.6	-177.6	0	0	112.2	A180 A181	E177-A180 PolarHBondContact O-N 3.19Å; E177-A181 PolarHBondContact O-N 3.47Å
178	A	96.6	Very high	97.4	Very high	60 Å²	60	37.2 Å²	37.2	50%	0.496	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-41.7	176.4	0	0	0	0	0	112.1	F149 S176 Y182	F149-A178 HydrophobicContact CE1-CB 4.06Å; F149-A178 HydrophobicContact CZ-CB 4.13Å; S176-A178 VanDerWaalsContact C-N 3.29Å; S176-A178 PolarHBondContact O-N 3.18Å; A178-Y182 WeakPolarHBondContact O-CB 3.47Å; A178-Y182 PolarHBondContact O-N 2.99Å; A178-Y182 VanDerWaalsContact O-N 3.08Å
179	F	97.8	Very high	97.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-40.8	176.8	-177.6	-113.9	0	0	0	111.9	F149 V172 M175 S176 A181 Y182 I183 Y209 I211	F149-F179 HydrophobicContact CB-CD2 3.77Å; F149-F179 HydrophobicContact CB-CE2 4.26Å; F149-F179 HydrophobicContact CD1-CB 4.08Å; F149-F179 HydrophobicContact CD1-CD2 4.25Å; F149-F179 AromaticContact CD2-CD2 3.7Å; F149-F179 HydrophobicContact CD2-CD2 3.7Å; F149-F179 HydrophobicContact CD2-CE2 4.41Å; F149-F179 HydrophobicContact CE1-CB 4.23Å; F149-F179 HydrophobicContact CE2-CD2 4.3Å; F149-F179 HydrophobicContact CG-CB 4.34Å; F149-F179 AromaticContact CG-CD2 3.66Å; F149-F179 HydrophobicContact CG-CD2 3.66Å; F149-F179 HydrophobicContact CG-CE2 4.49Å; F149-F179 HydrophobicContact CG-CG 4.39Å; V172-F179 HydrophobicContact CB-CE1 4.01Å; V172-F179 HydrophobicContact CB-CE2 4.16Å; V172-F179 HydrophobicContact CB-CZ 3.77Å; V172-F179 HydrophobicContact CG1-CD1 3.7Å; V172-F179 HydrophobicContact CG1-CD2 4.13Å; V172-F179 HydrophobicContact CG1-CE1 3.56Å; V172-F179 HydrophobicContact CG1-CE2 4.02Å; V172-F179 HydrophobicContact CG1-CG 4Å; V172-F179 HydrophobicContact CG1-CZ 3.74Å; V172-F179 HydrophobicContact CG2-CD2 4.49Å; V172-F179 HydrophobicContact CG2-CE2 3.9Å; V172-F179 HydrophobicContact CG2-CZ 3.97Å; M175-F179 HydrophobicContact CE-CD1 4.16Å; M175-F179 HydrophobicContact CE-CE1 4.07Å; M175-F179 HydrophobicContact SD-CD1 3.58Å; M175-F179 VanDerWaalsContact SD-CD1 3.58Å; M175-F179 HydrophobicContact SD-CE1 4.08Å; S176-F179 PolarHBondContact O-N 2.91Å; S176-F179 VanDerWaalsContact O-N 3.15Å; S176-F179 VanDerWaalsContact OG-CB 3.28Å; S176-F179 WeakPolarHBondContact OG-CB 3.43Å; S176-F179 PolarHBondContact OG-N 3.39Å; S176-F179 VanDerWaalsContact OG-N 3.14Å; F179-A181 VanDerWaalsContact C-N 3.31Å; F179-A181 PolarHBondContact O-N 3.35Å; F179-Y182 AromaticContact CD2-CD1 3.89Å; F179-Y182 HydrophobicContact CD2-CD1 3.89Å; F179-Y182 AromaticContact CE2-CD1 3.89Å; F179-Y182 HydrophobicContact CE2-CD1 3.89Å; F179-Y182 HydrophobicContact CE2-CE1 4.39Å; F179-Y182 CarbonylContact O-C 3.59Å; F179-Y182 WeakPolarHBondContact O-CB 3.36Å; F179-Y182 PolarHBondContact O-N 3.17Å; F179-Y182 VanDerWaalsContact O-N 3.07Å; F179-I183 HydrophobicContact CE1-CB 4.3Å; F179-I183 HydrophobicContact CE1-CG2 4.38Å; F179-I183 HydrophobicContact CE2-CB 4.28Å; F179-I183 HydrophobicContact CZ-CB 3.99Å; F179-I183 HydrophobicContact CZ-CD1 4.4Å; F179-I183 HydrophobicContact CZ-CG1 4.29Å; F179-I183 WeakPolarHBondContact O-CG2 3.46Å; F179-I183 PolarHBondContact O-N 3.5Å; F179-Y209 AromaticContact CE1-CD2 3.52Å; F179-Y209 HydrophobicContact CE1-CD2 3.52Å; F179-Y209 AromaticContact CE1-CE2 3.95Å; F179-Y209 HydrophobicContact CE1-CE2 3.95Å; F179-Y209 HydrophobicContact CE1-CG 4.04Å; F179-Y209 AromaticContact CZ-CD2 3.8Å; F179-Y209 HydrophobicContact CZ-CD2 3.8Å; F179-Y209 AromaticContact CZ-CG 3.83Å; F179-Y209 HydrophobicContact CZ-CG 3.83Å; F179-I211 HydrophobicContact CE2-CD1 3.56Å; F179-I211 HydrophobicContact CZ-CD1 4.11Å
180	A	97.5	Very high	97.3	Very high	25 Å²	25	37 Å²	37	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-57.9	-44.3	175.9	0	0	0	0	0	111.4	M175 S176 E177 Y182 I183 R184 A202	M175-A180 HydrophobicContact CG-CB 4.13Å; M175-A180 HydrophobicContact SD-CB 3.7Å; S176-A180 WeakPolarHBondContact O-CB 3.45Å; S176-A180 PolarHBondContact O-N 2.97Å; E177-A180 PolarHBondContact O-N 3.19Å; A180-Y182 VanDerWaalsContact C-N 3.35Å; A180-I183 WeakPolarHBondContact O-CG2 3.21Å; A180-R184 WeakPolarHBondContact O-CB 3.48Å; A180-R184 PolarHBondContact O-N 2.9Å; A180-R184 VanDerWaalsContact O-N 3.11Å; A180-A202 HydrophobicContact CB-CB 4.35Å
181	A	97.6	Very high	97.2	Very high	24 Å²	24	36 Å²	36	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-39.3	175	0	0	0	0	0	112.1	L127 E177 F179 R185	L127-A181 HydrophobicContact CD1-CB 4.25Å; L127-A181 VanDerWaalsContact CD1-O 3.32Å; L127-A181 WeakPolarHBondContact CD1-O 3.18Å; L127-A181 HydrophobicContact CD2-CB 4.24Å; E177-A181 PolarHBondContact O-N 3.47Å; F179-A181 VanDerWaalsContact C-N 3.31Å; F179-A181 PolarHBondContact O-N 3.35Å; A181-R185 WeakPolarHBondContact O-CG 3.06Å; A181-R185 PolarHBondContact O-N 2.94Å; A181-R185 PolarHBondContact O-NH1 3.08Å; A181-R185 VanDerWaalsContact O-NH1 3.12Å
182	Y	98.2	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-51.7	179.3	172.6	-114.2	0	0	0	113	D94 F95 F146 F149 A178 F179 A180 R184 R185 L186 I211 H213 T226	D94-Y182 WeakPolarHBondContact O-CD2 3.43Å; F95-Y182 HydrophobicContact CB-CE2 4.47Å; F146-Y182 HydrophobicContact CE2-CD2 4.16Å; F146-Y182 AromaticContact CE2-CE2 3.97Å; F146-Y182 HydrophobicContact CE2-CE2 3.97Å; F146-Y182 HydrophobicContact CZ-CE1 4.32Å; F146-Y182 AromaticContact CZ-CE2 3.89Å; F146-Y182 HydrophobicContact CZ-CE2 3.89Å; F146-Y182 AromaticContact CZ-CZ 3.78Å; F149-Y182 AromaticContact CD2-CD1 3.6Å; F149-Y182 HydrophobicContact CD2-CD1 3.6Å; F149-Y182 AromaticContact CD2-CE1 3.97Å; F149-Y182 HydrophobicContact CD2-CE1 3.97Å; F149-Y182 HydrophobicContact CD2-CG 4.2Å; F149-Y182 AromaticContact CE2-CD1 3.61Å; F149-Y182 HydrophobicContact CE2-CD1 3.61Å; F149-Y182 HydrophobicContact CE2-CD2 4.47Å; F149-Y182 HydrophobicContact CE2-CE1 4.26Å; F149-Y182 AromaticContact CE2-CG 3.71Å; F149-Y182 HydrophobicContact CE2-CG 3.71Å; A178-Y182 WeakPolarHBondContact O-CB 3.47Å; A178-Y182 PolarHBondContact O-N 2.99Å; A178-Y182 VanDerWaalsContact O-N 3.08Å; F179-Y182 AromaticContact CD2-CD1 3.89Å; F179-Y182 HydrophobicContact CD2-CD1 3.89Å; F179-Y182 AromaticContact CE2-CD1 3.89Å; F179-Y182 HydrophobicContact CE2-CD1 3.89Å; F179-Y182 HydrophobicContact CE2-CE1 4.39Å; F179-Y182 CarbonylContact O-C 3.59Å; F179-Y182 WeakPolarHBondContact O-CB 3.36Å; F179-Y182 PolarHBondContact O-N 3.17Å; F179-Y182 VanDerWaalsContact O-N 3.07Å; A180-Y182 VanDerWaalsContact C-N 3.35Å; Y182-R184 VanDerWaalsContact C-N 3.25Å; Y182-R184 PolarHBondContact O-N 3.39Å; Y182-R185 PolarHBondContact O-N 3.29Å; Y182-R185 VanDerWaalsContact O-N 3.12Å; Y182-L186 HydrophobicContact CD1-CD1 4.16Å; Y182-L186 HydrophobicContact CE1-CD1 3.57Å; Y182-L186 HydrophobicContact CE2-CD1 4.1Å; Y182-L186 HydrophobicContact CE2-CG 4.35Å; Y182-L186 PolarHBondContact O-N 3.11Å; Y182-L186 VanDerWaalsContact O-N 3.12Å; Y182-I211 HydrophobicContact CD1-CD1 4.42Å; Y182-I211 HydrophobicContact CE1-CD1 3.7Å; Y182-H213 PolarHBondContact OH-CE1 2.95Å; Y182-T226 WeakPolarHBondContact OH-CB 3.45Å; Y182-T226 VanDerWaalsContact OH-CG2 3.22Å; Y182-T226 WeakPolarHBondContact OH-CG2 3.41Å; Y182-T226 PolarHBondContact OH-OG1 3.37Å
183	I	98.1	Very high	97	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-33.7	179.6	-166.4	59.7	0	0	0	111.4	M175 F179 A180 R185 L186 Q187 Y209 F229	M175-I183 HydrophobicContact SD-CG2 4.41Å; F179-I183 HydrophobicContact CE1-CB 4.3Å; F179-I183 HydrophobicContact CE1-CG2 4.38Å; F179-I183 HydrophobicContact CE2-CB 4.28Å; F179-I183 HydrophobicContact CZ-CB 3.99Å; F179-I183 HydrophobicContact CZ-CD1 4.4Å; F179-I183 HydrophobicContact CZ-CG1 4.29Å; F179-I183 WeakPolarHBondContact O-CG2 3.46Å; F179-I183 PolarHBondContact O-N 3.5Å; A180-I183 WeakPolarHBondContact O-CG2 3.21Å; I183-R185 VanDerWaalsContact C-N 3.35Å; I183-R185 PolarHBondContact O-N 3.4Å; I183-L186 HydrophobicContact CD1-CB 4.28Å; I183-L186 HydrophobicContact CD1-CD1 4.04Å; I183-L186 WeakPolarHBondContact O-CB 3.42Å; I183-L186 PolarHBondContact O-N 3.15Å; I183-Q187 HydrophobicContact CG1-CG 4.45Å; I183-Q187 WeakPolarHBondContact O-CB 3.45Å; I183-Q187 WeakPolarHBondContact O-CG 3.46Å; I183-Q187 PolarHBondContact O-N 3.26Å; I183-Y209 HydrophobicContact CD1-CD1 3.62Å; I183-Y209 HydrophobicContact CD1-CE1 4.07Å; I183-Y209 HydrophobicContact CD1-CG 4.3Å; I183-Y209 HydrophobicContact CG1-CD1 3.63Å; I183-Y209 HydrophobicContact CG1-CE1 3.58Å; I183-Y209 HydrophobicContact CG1-CG 4.35Å; I183-F229 HydrophobicContact CD1-CD2 3.83Å; I183-F229 HydrophobicContact CD1-CE2 4.13Å; I183-F229 HydrophobicContact CD1-CG 4.22Å
184	R	97.9	Very high	96.9	Very high	52 Å²	52	34.7 Å²	34.7	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-39	174.2	-175.2	166	-174	111.9	8.4	112.6	L125 E126 L127 A180 Y182 Q187 F188 F199	L125-R184 HydrophobicContact CD1-CG 4.42Å; L125-R184 PolarHBondContact O-NE 3.19Å; L125-R184 PolarHBondContact O-NH2 3Å; E126-R184 VanDerWaalsContact CG-NH2 3.33Å; E126-R184 IonicContact OE2-CZ 3.07Å; E126-R184 VanDerWaalsContact OE2-CZ 3.26Å; E126-R184 IonicContact OE2-NH1 2.75Å; E126-R184 PolarHBondContact OE2-NH1 2.9Å; E126-R184 IonicContact OE2-NH2 2.66Å; E126-R184 PolarHBondContact OE2-NH2 3.33Å; L127-R184 HydrophobicContact CD1-CB 3.87Å; L127-R184 HydrophobicContact CD1-CG 3.86Å; A180-R184 WeakPolarHBondContact O-CB 3.48Å; A180-R184 PolarHBondContact O-N 2.9Å; A180-R184 VanDerWaalsContact O-N 3.11Å; Y182-R184 VanDerWaalsContact C-N 3.25Å; Y182-R184 PolarHBondContact O-N 3.39Å; R184-Q187 PolarHBondContact O-N 3.23Å; R184-F188 WeakPolarHBondContact O-CB 3.5Å; R184-F188 PolarHBondContact O-N 3.47Å; R184-F199 HydrophobicContact CG-CD1 3.91Å; R184-F199 HydrophobicContact CG-CE1 3.92Å; R184-F199 WeakPolarHBondContact O-CE1 3.43Å
185	R	98.4	Very high	96.9	Very high	27 Å²	27	33.3 Å²	33.3	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-38.2	173.2	-67.3	-175.5	-59.5	-93.4	6.7	112.2	D94 F95 I97 L125 L127 A181 Y182 I183 F188 A189	D94-R185 VanDerWaalsContact O-CZ 3.28Å; D94-R185 PolarHBondContact O-NE 2.84Å; D94-R185 PolarHBondContact O-NH2 3.25Å; F95-R185 HydrophobicContact CB-CB 3.92Å; F95-R185 VanDerWaalsContact O-CD 3.24Å; F95-R185 WeakPolarHBondContact O-CD 3.47Å; I97-R185 HydrophobicContact CD1-CB 4.5Å; I97-R185 HydrophobicContact CD1-CG 4.36Å; L125-R185 HydrophobicContact CD1-CG 4.41Å; L127-R185 HydrophobicContact CD1-CG 3.97Å; A181-R185 WeakPolarHBondContact O-CG 3.06Å; A181-R185 PolarHBondContact O-N 2.94Å; A181-R185 PolarHBondContact O-NH1 3.08Å; A181-R185 VanDerWaalsContact O-NH1 3.12Å; Y182-R185 PolarHBondContact O-N 3.29Å; Y182-R185 VanDerWaalsContact O-N 3.12Å; I183-R185 VanDerWaalsContact C-N 3.35Å; I183-R185 PolarHBondContact O-N 3.4Å; R185-F188 PolarHBondContact O-N 3.46Å; R185-A189 PolarHBondContact O-N 2.85Å
186	L	98.1	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-43.4	173.7	-77.5	170.4	0	0	0	112.4	F95 Y182 I183 F188 A189 A190 T226 F229 M252	F95-L186 HydrophobicContact CD1-CD2 3.47Å; F95-L186 VanDerWaalsContact CD1-CD2 3.47Å; F95-L186 HydrophobicContact CD1-CG 4.17Å; F95-L186 HydrophobicContact CD2-CD2 3.89Å; F95-L186 HydrophobicContact CE1-CD2 3.45Å; F95-L186 VanDerWaalsContact CE1-CD2 3.45Å; F95-L186 HydrophobicContact CE2-CD2 3.92Å; F95-L186 HydrophobicContact CG-CD2 3.68Å; F95-L186 HydrophobicContact CG-CG 4.21Å; F95-L186 HydrophobicContact CZ-CD2 3.67Å; Y182-L186 HydrophobicContact CD1-CD1 4.16Å; Y182-L186 HydrophobicContact CE1-CD1 3.57Å; Y182-L186 HydrophobicContact CE2-CD1 4.1Å; Y182-L186 HydrophobicContact CE2-CG 4.35Å; Y182-L186 PolarHBondContact O-N 3.11Å; Y182-L186 VanDerWaalsContact O-N 3.12Å; I183-L186 HydrophobicContact CD1-CB 4.28Å; I183-L186 HydrophobicContact CD1-CD1 4.04Å; I183-L186 WeakPolarHBondContact O-CB 3.42Å; I183-L186 PolarHBondContact O-N 3.15Å; L186-F188 VanDerWaalsContact C-N 3.33Å; L186-A189 WeakPolarHBondContact O-CB 3.13Å; L186-A189 PolarHBondContact O-N 3.26Å; L186-A190 WeakPolarHBondContact O-CB 3.32Å; L186-A190 PolarHBondContact O-N 3.1Å; L186-T226 HydrophobicContact CD1-CG2 4.4Å; L186-T226 HydrophobicContact CD2-CG2 3.79Å; L186-F229 HydrophobicContact CB-CD1 3.83Å; L186-F229 HydrophobicContact CB-CE1 3.88Å; L186-F229 HydrophobicContact CD1-CB 4.37Å; L186-F229 HydrophobicContact CD1-CD1 4.39Å; L186-F229 HydrophobicContact CD1-CG 4.5Å; L186-F229 HydrophobicContact CD2-CD1 4.33Å; L186-F229 HydrophobicContact CG-CD1 4.44Å; L186-M252 HydrophobicContact CD2-CE 4.05Å
187	Q	97.9	Very high	96.5	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-38.9	176	-75.7	-178.6	-41.7	0	0	111.8	I183 R184 A190 A191 L197 F199 T200 F229	I183-Q187 HydrophobicContact CG1-CG 4.45Å; I183-Q187 WeakPolarHBondContact O-CB 3.45Å; I183-Q187 WeakPolarHBondContact O-CG 3.46Å; I183-Q187 PolarHBondContact O-N 3.26Å; R184-Q187 PolarHBondContact O-N 3.23Å; Q187-A190 CarbonylContact O-C 3.56Å; Q187-A190 PolarHBondContact O-N 2.87Å; Q187-A190 VanDerWaalsContact O-N 3.16Å; Q187-A191 WeakPolarHBondContact O-CB 3.27Å; Q187-A191 PolarHBondContact O-N 3.45Å; Q187-L197 HydrophobicContact CB-CD2 4.11Å; Q187-F199 HydrophobicContact CB-CD1 3.64Å; Q187-F199 HydrophobicContact CB-CE1 3.8Å; Q187-T200 PolarHBondContact NE2-OG1 3.45Å; Q187-T200 PolarHBondContact OE1-OG1 2.82Å; Q187-F229 HydrophobicContact CG-CE2 4.23Å; Q187-F229 HydrophobicContact CG-CZ 3.86Å
188	F	97.8	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-44.5	173	175.8	-112.4	0	0	0	112	I72 L88 F90 I97 V121 F124 L125 R184 R185 L186 A190 A191 F199	I72-F188 HydrophobicContact CD1-CE2 3.65Å; I72-F188 HydrophobicContact CD1-CZ 3.99Å; I72-F188 HydrophobicContact CG1-CE2 4.06Å; L88-F188 HydrophobicContact CD1-CE1 3.89Å; L88-F188 HydrophobicContact CD1-CZ 3.83Å; F90-F188 AromaticContact CE1-CD1 3.95Å; F90-F188 HydrophobicContact CE1-CD1 3.95Å; F90-F188 HydrophobicContact CE1-CE1 4.44Å; F90-F188 AromaticContact CZ-CD1 3.78Å; F90-F188 HydrophobicContact CZ-CD1 3.78Å; F90-F188 AromaticContact CZ-CE1 3.93Å; F90-F188 HydrophobicContact CZ-CE1 3.93Å; I97-F188 HydrophobicContact CD1-CD1 3.47Å; I97-F188 VanDerWaalsContact CD1-CD1 3.47Å; I97-F188 HydrophobicContact CD1-CE1 3.83Å; V121-F188 HydrophobicContact CG1-CE1 4.12Å; V121-F188 HydrophobicContact CG1-CZ 3.82Å; F124-F188 AromaticContact CD1-CD2 3.67Å; F124-F188 HydrophobicContact CD1-CD2 3.67Å; F124-F188 AromaticContact CD1-CE2 3.61Å; F124-F188 HydrophobicContact CD1-CE2 3.61Å; F124-F188 AromaticContact CE1-CD2 3.85Å; F124-F188 HydrophobicContact CE1-CD2 3.85Å; F124-F188 HydrophobicContact CE1-CE2 4.05Å; L125-F188 HydrophobicContact CD1-CB 3.5Å; L125-F188 VanDerWaalsContact CD1-CB 3.5Å; L125-F188 HydrophobicContact CD1-CD1 4.05Å; L125-F188 HydrophobicContact CD1-CD2 4.4Å; L125-F188 HydrophobicContact CD1-CG 3.73Å; R184-F188 WeakPolarHBondContact O-CB 3.5Å; R184-F188 PolarHBondContact O-N 3.47Å; R185-F188 PolarHBondContact O-N 3.46Å; L186-F188 VanDerWaalsContact C-N 3.33Å; F188-A190 VanDerWaalsContact C-N 3.28Å; F188-A190 PolarHBondContact O-N 2.66Å; F188-A191 PolarHBondContact O-N 2.94Å; F188-F199 HydrophobicContact CB-CE1 4.08Å; F188-F199 HydrophobicContact CB-CZ 4.12Å; F188-F199 HydrophobicContact CD2-CZ 4.48Å
189	A	97.8	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-39.4	172.7	0	0	0	0	0	111.9	M50 F90 F95 R185 L186 L192 F193 M252	M50-A189 HydrophobicContact CE-CB 4.44Å; F90-A189 HydrophobicContact CD1-CB 4.15Å; F90-A189 HydrophobicContact CE1-CB 3.62Å; F90-A189 HydrophobicContact CE2-CB 4.37Å; F90-A189 HydrophobicContact CZ-CB 3.75Å; F95-A189 HydrophobicContact CD1-CB 4.13Å; F95-A189 HydrophobicContact CE1-CB 3.95Å; R185-A189 PolarHBondContact O-N 2.85Å; L186-A189 WeakPolarHBondContact O-CB 3.13Å; L186-A189 PolarHBondContact O-N 3.26Å; A189-L192 WeakPolarHBondContact O-CB 3.36Å; A189-L192 PolarHBondContact O-N 2.91Å; A189-F193 VanDerWaalsContact O-CD2 3.3Å; A189-F193 WeakPolarHBondContact O-CD2 3.35Å; A189-M252 HydrophobicContact CB-CE 3.87Å; A189-M252 HydrophobicContact CB-SD 4.26Å
190	A	97.3	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.7	-34.1	179.2	0	0	0	0	0	113.8	L186 Q187 F188 L192 F193 I194 L197 F229 I250	L186-A190 WeakPolarHBondContact O-CB 3.32Å; L186-A190 PolarHBondContact O-N 3.1Å; Q187-A190 CarbonylContact O-C 3.56Å; Q187-A190 PolarHBondContact O-N 2.87Å; Q187-A190 VanDerWaalsContact O-N 3.16Å; F188-A190 VanDerWaalsContact C-N 3.28Å; F188-A190 PolarHBondContact O-N 2.66Å; A190-L192 PolarHBondContact O-N 2.75Å; A190-L192 VanDerWaalsContact O-N 3.12Å; A190-F193 CarbonylContact O-C 3.52Å; A190-F193 PolarHBondContact O-N 2.88Å; A190-I194 HydrophobicContact CB-CD1 4.38Å; A190-I194 PolarHBondContact O-N 3.25Å; A190-L197 HydrophobicContact CB-CD1 3.57Å; A190-F229 HydrophobicContact CB-CE1 3.72Å; A190-F229 HydrophobicContact CB-CZ 3.96Å; A190-I250 HydrophobicContact CB-CD1 4Å; A190-I250 HydrophobicContact CB-CG2 4.01Å
191	A	96.3	Very high	96	Very high	6 Å²	6	29.9 Å²	29.9	5%	0.05	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-23.5	175.8	0	0	0	0	0	112.7	Q187 F188 F193 L197	Q187-A191 WeakPolarHBondContact O-CB 3.27Å; Q187-A191 PolarHBondContact O-N 3.45Å; F188-A191 PolarHBondContact O-N 2.94Å; A191-F193 PolarHBondContact O-N 3.1Å; A191-L197 HydrophobicContact CB-CB 4.42Å; A191-L197 HydrophobicContact CB-CD2 4.12Å
192	L	96.6	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.3	174.8	-61.7	167.5	0	0	0	113.5	I46 V48 A66 N67 Y68 I72 L88 F90 A189 A190	I46-L192 HydrophobicContact CD1-CD2 4.2Å; I46-L192 HydrophobicContact CG2-CD2 4.22Å; V48-L192 HydrophobicContact CG2-CB 4.38Å; V48-L192 HydrophobicContact CG2-CD1 3.47Å; V48-L192 VanDerWaalsContact CG2-CD1 3.47Å; V48-L192 HydrophobicContact CG2-CG 4.47Å; A66-L192 HydrophobicContact CB-CB 4Å; A66-L192 HydrophobicContact CB-CD2 3.93Å; A66-L192 HydrophobicContact CB-CG 4.49Å; N67-L192 PolarHBondContact N-O 3.36Å; Y68-L192 PolarHBondContact N-O 3.35Å; Y68-L192 WeakPolarHBondContact O-CA 3.39Å; I72-L192 HydrophobicContact CD1-CD2 3.44Å; I72-L192 VanDerWaalsContact CD1-CD2 3.44Å; L88-L192 HydrophobicContact CD1-CD1 3.71Å; L88-L192 HydrophobicContact CD1-CD2 4.47Å; F90-L192 HydrophobicContact CZ-CD1 4.42Å; A189-L192 WeakPolarHBondContact O-CB 3.36Å; A189-L192 PolarHBondContact O-N 2.91Å; A190-L192 PolarHBondContact O-N 2.75Å; A190-L192 VanDerWaalsContact O-N 3.12Å
193	F	96.2	Very high	95.6	Very high	29 Å²	29	36.5 Å²	36.5	13%	0.127	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-14.3	-174.6	-59.8	-73.1	0	0	0	114.5	V48 F64 A65 Y68 A189 A190 A191 I250 P253	V48-F193 HydrophobicContact CB-CE2 4.22Å; V48-F193 HydrophobicContact CB-CZ 3.91Å; V48-F193 HydrophobicContact CG1-CE2 4.15Å; V48-F193 HydrophobicContact CG1-CZ 4.29Å; V48-F193 HydrophobicContact CG2-CE2 4.06Å; V48-F193 HydrophobicContact CG2-CZ 3.87Å; F64-F193 HydrophobicContact CB-CE1 4.44Å; F64-F193 HydrophobicContact CB-CZ 4.37Å; A65-F193 WeakPolarHBondContact O-CE1 3.44Å; Y68-F193 WeakPolarHBondContact CE2-O 3.14Å; A189-F193 VanDerWaalsContact O-CD2 3.3Å; A189-F193 WeakPolarHBondContact O-CD2 3.35Å; A190-F193 CarbonylContact O-C 3.52Å; A190-F193 PolarHBondContact O-N 2.88Å; A191-F193 PolarHBondContact O-N 3.1Å; F193-I250 HydrophobicContact CB-CD1 3.86Å; F193-I250 HydrophobicContact CD2-CD1 4.23Å; F193-I250 HydrophobicContact CG-CD1 4.42Å; F193-P253 HydrophobicContact CD1-CG 3.92Å; F193-P253 HydrophobicContact CD2-CG 4.13Å; F193-P253 HydrophobicContact CE1-CG 3.51Å; F193-P253 HydrophobicContact CE2-CG 3.76Å; F193-P253 HydrophobicContact CG-CG 4.22Å; F193-P253 HydrophobicContact CZ-CG 3.44Å; F193-P253 VanDerWaalsContact CZ-CG 3.44Å
194	I	95.4	Very high	95.4	Very high	43 Å²	43	38.5 Å²	38.5	22%	0.221	22%	0.224	C	C	.	.	S	Bend	trans	-114.8	118.9	176.3	-60.7	179.5	0	0	0	108.5	A190 L197 I250	A190-I194 HydrophobicContact CB-CD1 4.38Å; A190-I194 PolarHBondContact O-N 3.25Å; I194-L197 HydrophobicContact CB-CB 4.11Å; I194-L197 HydrophobicContact CB-CD1 4.03Å; I194-L197 HydrophobicContact CD1-CD1 3.96Å; I194-L197 HydrophobicContact CG1-CD1 4.49Å; I194-L197 HydrophobicContact CG2-CB 4.04Å; I194-L197 HydrophobicContact CG2-CD1 4.27Å; I194-I250 HydrophobicContact CD1-CB 4.06Å; I194-I250 HydrophobicContact CD1-CD1 4.4Å; I194-I250 HydrophobicContact CG1-CD1 4.38Å
195	E	92.5	Very high	95.3	Very high	131 Å²	131	45.5 Å²	45.5	61%	0.612	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	135.5	178.7	-165.7	173.2	-165.3	0	0	110.6	Y68 L197	Y68-E195 HydrophobicContact CD1-CB 4.31Å; Y68-E195 HydrophobicContact CD1-CG 4.25Å; Y68-E195 HydrophobicContact CD2-CB 4.15Å; Y68-E195 HydrophobicContact CE1-CB 3.92Å; Y68-E195 HydrophobicContact CE1-CG 4Å; Y68-E195 HydrophobicContact CE2-CB 3.75Å; Y68-E195 VanDerWaalsContact CE2-N 3.28Å; Y68-E195 HydrophobicContact CG-CB 4.42Å; E195-L197 PolarHBondContact O-N 3.42Å; E195-L197 VanDerWaalsContact O-N 3.16Å
196	G	89.5	Confident	95.2	Very high	57 Å²	57	48.7 Å²	48.7	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	11	176.5	0	0	0	0	0	115.7	S198	G196-S198 PolarHBondContact O-N 3.18Å
197	L	93.2	Very high	95.1	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	28%	0.278	C	S	.	.			trans	-59.3	127.2	176.4	-174	148.7	0	0	0	110.9	Q187 A190 A191 I194 E195 Q248	Q187-L197 HydrophobicContact CB-CD2 4.11Å; A190-L197 HydrophobicContact CB-CD1 3.57Å; A191-L197 HydrophobicContact CB-CB 4.42Å; A191-L197 HydrophobicContact CB-CD2 4.12Å; I194-L197 HydrophobicContact CB-CB 4.11Å; I194-L197 HydrophobicContact CB-CD1 4.03Å; I194-L197 HydrophobicContact CD1-CD1 3.96Å; I194-L197 HydrophobicContact CG1-CD1 4.49Å; I194-L197 HydrophobicContact CG2-CB 4.04Å; I194-L197 HydrophobicContact CG2-CD1 4.27Å; E195-L197 PolarHBondContact O-N 3.42Å; E195-L197 VanDerWaalsContact O-N 3.16Å; L197-Q248 HydrophobicContact CD1-CB 4.31Å; L197-Q248 HydrophobicContact CD1-CG 3.92Å; L197-Q248 HydrophobicContact CG-CG 4.23Å
198	S	92.7	Very high	95.1	Very high	82 Å²	82	50.7 Å²	50.7	57%	0.573	28%	0.278	S	S	*	.			trans	-106.6	150.9	172.4	57.6	0	0	0	0	111.3	G196 Q248	G196-S198 PolarHBondContact O-N 3.18Å; S198-Q248 PolarHBondContact O-NE2 2.99Å
199	F	96.5	Very high	95.2	Very high	54 Å²	54	50.9 Å²	50.9	24%	0.237	28%	0.279	C	S	.	.			trans	-67.8	140	171.5	-64.7	-79.1	0	0	0	110.1	F124 R184 Q187 F188	F124-F199 HydrophobicContact CD1-CE2 4.44Å; F124-F199 HydrophobicContact CD1-CZ 4.47Å; F124-F199 AromaticContact CE1-CE2 3.87Å; F124-F199 HydrophobicContact CE1-CE2 3.87Å; F124-F199 HydrophobicContact CE1-CZ 4.01Å; F124-F199 HydrophobicContact CZ-CE2 4.2Å; R184-F199 HydrophobicContact CG-CD1 3.91Å; R184-F199 HydrophobicContact CG-CE1 3.92Å; R184-F199 WeakPolarHBondContact O-CE1 3.43Å; Q187-F199 HydrophobicContact CB-CD1 3.64Å; Q187-F199 HydrophobicContact CB-CE1 3.8Å; F188-F199 HydrophobicContact CB-CE1 4.08Å; F188-F199 HydrophobicContact CB-CZ 4.12Å; F188-F199 HydrophobicContact CD2-CZ 4.48Å
200	T	95.6	Very high	95.2	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.104	28%	0.279	C	S	.	.			trans	-77.3	145.7	178.5	44.2	0	0	0	0	111.2	Q187 A202 W207 Y209	Q187-T200 PolarHBondContact NE2-OG1 3.45Å; Q187-T200 PolarHBondContact OE1-OG1 2.82Å; T200-A202 PolarHBondContact O-N 2.9Å; T200-W207 HydrophobicContact CG2-CD2 3.65Å; T200-W207 HydrophobicContact CG2-CE3 3.75Å; T200-W207 HydrophobicContact CG2-CG 4.37Å; T200-W207 HydrophobicContact CG2-CH2 3.82Å; T200-W207 HydrophobicContact CG2-CZ2 3.72Å; T200-W207 HydrophobicContact CG2-CZ3 3.83Å; T200-Y209 WeakPolarHBondContact CB-OH 3.47Å; T200-Y209 HydrophobicContact CG2-CE1 4.25Å; T200-Y209 PolarHBondContact OG1-OH 3.35Å
201	D	93.7	Very high	95.3	Very high	85 Å²	85	50.9 Å²	50.9	46%	0.455	28%	0.279	S	S	.	.			trans	-70.5	115	174.6	-174.3	-9.6	0	0	0	110.8	T203 D204	D201-T203 VanDerWaalsContact CG-OG1 3.23Å; D201-T203 PolarHBondContact O-N 2.93Å; D201-T203 WeakPolarHBondContact OD1-CB 3.29Å; D201-T203 PolarHBondContact OD1-N 2.91Å; D201-T203 PolarHBondContact OD1-OG1 3.25Å; D201-T203 PolarHBondContact OD2-OG1 3.45Å; D201-T203 VanDerWaalsContact OD2-OG1 3.11Å; D201-D204 HydrophobicContact CB-CB 4.28Å; D201-D204 PolarHBondContact O-N 3.38Å
202	A	92	Very high	95.4	Very high	50 Å²	50	50.6 Å²	50.6	41%	0.413	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.4	178.3	0	0	0	0	0	113.6	M175 A180 T200	M175-A202 HydrophobicContact CG-CB 3.9Å; M175-A202 WeakPolarHBondContact CG-O 3.22Å; M175-A202 HydrophobicContact SD-CB 4.36Å; A180-A202 HydrophobicContact CB-CB 4.35Å; T200-A202 PolarHBondContact O-N 2.9Å
203	T	93.5	Very high	95.5	Very high	113 Å²	113	50.6 Å²	50.6	69%	0.693	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-19.8	179	72.8	0	0	0	0	113.2	D201 K205	D201-T203 VanDerWaalsContact CG-OG1 3.23Å; D201-T203 PolarHBondContact O-N 2.93Å; D201-T203 WeakPolarHBondContact OD1-CB 3.29Å; D201-T203 PolarHBondContact OD1-N 2.91Å; D201-T203 PolarHBondContact OD1-OG1 3.25Å; D201-T203 PolarHBondContact OD2-OG1 3.45Å; D201-T203 VanDerWaalsContact OD2-OG1 3.11Å; T203-K205 PolarHBondContact O-N 2.78Å
204	D	95.3	Very high	95.6	Very high	47 Å²	47	50 Å²	50	25%	0.251	27%	0.274	S	S	.	.			trans	-83.9	113.1	-179	-171.1	-8.9	0	0	0	111.3	D201 K206 W207 Y233	D201-D204 HydrophobicContact CB-CB 4.28Å; D201-D204 PolarHBondContact O-N 3.38Å; D204-K206 PolarHBondContact O-N 2.88Å; D204-K206 VanDerWaalsContact OD1-CB 3.31Å; D204-K206 WeakPolarHBondContact OD1-CB 3.41Å; D204-K206 WeakPolarHBondContact OD1-CG 3.45Å; D204-K206 PolarHBondContact OD1-N 3.36Å; D204-W207 PolarHBondContact O-N 3.01Å; D204-Y233 WeakPolarHBondContact OD2-CE2 3.38Å; D204-Y233 PolarHBondContact OD2-OH 3.35Å
205	K	94.5	Very high	95.7	Very high	199 Å²	199	51.1 Å²	51.1	87%	0.865	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.4	-178.6	-59	-177.7	-178.1	-178.7	0	114	T203 W207	T203-K205 PolarHBondContact O-N 2.78Å; K205-W207 VanDerWaalsContact C-N 3.28Å
206	K	96.3	Very high	95.8	Very high	94 Å²	94	45.6 Å²	45.6	41%	0.409	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.3	175.6	-67.6	170.3	176.7	177	0	112.6	D204 Y233 N234	D204-K206 PolarHBondContact O-N 2.88Å; D204-K206 VanDerWaalsContact OD1-CB 3.31Å; D204-K206 WeakPolarHBondContact OD1-CB 3.41Å; D204-K206 WeakPolarHBondContact OD1-CG 3.45Å; D204-K206 PolarHBondContact OD1-N 3.36Å; K206-Y233 HydrophobicContact CB-CD2 4.27Å; K206-Y233 HydrophobicContact CB-CE1 4.15Å; K206-Y233 HydrophobicContact CB-CE2 3.82Å; K206-Y233 HydrophobicContact CD-CE1 3.84Å; K206-Y233 HydrophobicContact CD-CE2 4.43Å; K206-Y233 WeakPolarHBondContact CD-OH 3.48Å; K206-N234 WeakPolarHBondContact O-CB 3.42Å; K206-N234 PolarHBondContact O-N 3.07Å; K206-N234 PolarHBondContact O-ND2 3.17Å
207	W	97.9	Very high	95.8	Very high	41 Å²	41	49 Å²	49	16%	0.155	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.9	173.8	-73	113.1	0	0	0	111.5	T200 D204 K205 Y209 Y233 A247	T200-W207 HydrophobicContact CG2-CD2 3.65Å; T200-W207 HydrophobicContact CG2-CE3 3.75Å; T200-W207 HydrophobicContact CG2-CG 4.37Å; T200-W207 HydrophobicContact CG2-CH2 3.82Å; T200-W207 HydrophobicContact CG2-CZ2 3.72Å; T200-W207 HydrophobicContact CG2-CZ3 3.83Å; D204-W207 PolarHBondContact O-N 3.01Å; K205-W207 VanDerWaalsContact C-N 3.28Å; W207-Y209 HydrophobicContact CB-CE2 3.74Å; W207-Y209 WeakPolarHBondContact CB-OH 3.15Å; W207-Y233 AromaticContact CD2-CD2 3.6Å; W207-Y233 HydrophobicContact CD2-CD2 3.6Å; W207-Y233 HydrophobicContact CD2-CE2 4.27Å; W207-Y233 AromaticContact CE2-CD2 3.41Å; W207-Y233 VanDerWaalsContact CE2-CD2 3.41Å; W207-Y233 AromaticContact CE2-CE2 3.81Å; W207-Y233 AromaticContact CE3-CD2 3.86Å; W207-Y233 HydrophobicContact CE3-CD2 3.86Å; W207-Y233 HydrophobicContact CE3-CG 4.5Å; W207-Y233 HydrophobicContact CG-CD2 4.21Å; W207-Y233 AromaticContact CH2-CD2 3.76Å; W207-Y233 HydrophobicContact CH2-CD2 3.76Å; W207-Y233 HydrophobicContact CH2-CG 4.29Å; W207-Y233 AromaticContact CZ2-CD2 3.49Å; W207-Y233 HydrophobicContact CZ2-CD2 3.49Å; W207-Y233 VanDerWaalsContact CZ2-CD2 3.49Å; W207-Y233 HydrophobicContact CZ2-CE2 4.05Å; W207-Y233 HydrophobicContact CZ2-CG 4.41Å; W207-Y233 AromaticContact CZ3-CD2 3.93Å; W207-Y233 HydrophobicContact CZ3-CD2 3.93Å; W207-Y233 HydrophobicContact CZ3-CG 4.34Å; W207-Y233 AromaticContact NE1-CD2 3.92Å; W207-Y233 AromaticContact NE1-CE2 3.86Å; W207-A247 HydrophobicContact CH2-CB 3.96Å; W207-A247 HydrophobicContact CZ3-CB 3.76Å
208	E	97.7	Very high	95.3	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.6	175	178.8	177.9	161.4	0	0	108.8	N171 T173 Y210 V232 N234 R275	N171-E208 WeakPolarHBondContact ND2-CG 3.29Å; N171-E208 PolarHBondContact ND2-OE1 3.21Å; T173-E208 HydrophobicContact CG2-CG 3.92Å; E208-Y210 HydrophobicContact CG-CE2 4.06Å; E208-Y210 WeakPolarHBondContact OE1-CE2 3.23Å; E208-Y210 PolarHBondContact OE1-OH 3.24Å; E208-V232 HydrophobicContact CB-CB 4.45Å; E208-V232 PolarHBondContact N-O 2.78Å; E208-V232 PolarHBondContact O-N 3.44Å; E208-N234 PolarHBondContact OE2-ND2 3.48Å; E208-R275 VanDerWaalsContact CD-NH1 3.25Å; E208-R275 IonicContact OE1-CZ 2.67Å; E208-R275 IonicContact OE1-NH1 3.44Å; E208-R275 PolarHBondContact OE1-NH1 3.12Å; E208-R275 IonicContact OE1-NH2 2.9Å; E208-R275 PolarHBondContact OE1-NH2 2.79Å; E208-R275 IonicContact OE2-CZ 3.4Å; E208-R275 IonicContact OE2-NH1 2.77Å; E208-R275 PolarHBondContact OE2-NH1 3.08Å
209	Y	98.7	Very high	94.6	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.5	-174.7	-54	-92.9	0	0	0	110.9	N171 V172 M175 F179 I183 T200 W207 C230	N171-Y209 CarbonylContact C-O 3.58Å; N171-Y209 WeakPolarHBondContact CA-O 3.43Å; V172-Y209 PolarHBondContact N-O 3.19Å; V172-Y209 PolarHBondContact O-N 2.66Å; M175-Y209 HydrophobicContact CE-CD2 4.42Å; M175-Y209 HydrophobicContact CE-CE2 3.43Å; M175-Y209 VanDerWaalsContact CE-CE2 3.43Å; F179-Y209 AromaticContact CE1-CD2 3.52Å; F179-Y209 HydrophobicContact CE1-CD2 3.52Å; F179-Y209 AromaticContact CE1-CE2 3.95Å; F179-Y209 HydrophobicContact CE1-CE2 3.95Å; F179-Y209 HydrophobicContact CE1-CG 4.04Å; F179-Y209 AromaticContact CZ-CD2 3.8Å; F179-Y209 HydrophobicContact CZ-CD2 3.8Å; F179-Y209 AromaticContact CZ-CG 3.83Å; F179-Y209 HydrophobicContact CZ-CG 3.83Å; I183-Y209 HydrophobicContact CD1-CD1 3.62Å; I183-Y209 HydrophobicContact CD1-CE1 4.07Å; I183-Y209 HydrophobicContact CD1-CG 4.3Å; I183-Y209 HydrophobicContact CG1-CD1 3.63Å; I183-Y209 HydrophobicContact CG1-CE1 3.58Å; I183-Y209 HydrophobicContact CG1-CG 4.35Å; T200-Y209 WeakPolarHBondContact CB-OH 3.47Å; T200-Y209 HydrophobicContact CG2-CE1 4.25Å; T200-Y209 PolarHBondContact OG1-OH 3.35Å; W207-Y209 HydrophobicContact CB-CE2 3.74Å; W207-Y209 WeakPolarHBondContact CB-OH 3.15Å; Y209-C230 CarbonylContact C-O 3.58Å; Y209-C230 WeakPolarHBondContact CA-O 3.4Å
210	Y	98.8	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.1	168.6	-62.4	-102.4	0	0	0	108.8	I153 Y170 N171 E208 F229 C230 V232 F264 I268 D271 L272 R275	I153-Y210 HydrophobicContact CD1-CD1 3.52Å; I153-Y210 HydrophobicContact CD1-CE1 3.51Å; Y170-Y210 CarbonylContact O-C 3.53Å; Y170-Y210 VanDerWaalsContact O-CA 3.24Å; Y170-Y210 WeakPolarHBondContact O-CA 3.5Å; N171-Y210 HydrophobicContact CB-CD1 4.16Å; N171-Y210 HydrophobicContact CB-CE1 4.07Å; N171-Y210 VanDerWaalsContact ND2-CE1 3.25Å; N171-Y210 WeakPolarHBondContact ND2-CE1 3.08Å; N171-Y210 WeakPolarHBondContact ND2-CE2 3.13Å; N171-Y210 PolarHBondContact ND2-OH 3.06Å; E208-Y210 HydrophobicContact CG-CE2 4.06Å; E208-Y210 WeakPolarHBondContact OE1-CE2 3.23Å; E208-Y210 PolarHBondContact OE1-OH 3.24Å; Y210-F229 CarbonylContact O-C 3.53Å; Y210-F229 WeakPolarHBondContact O-CA 3.28Å; Y210-F229 WeakPolarHBondContact O-CB 3.31Å; Y210-C230 PolarHBondContact N-O 2.95Å; Y210-C230 PolarHBondContact O-N 3.22Å; Y210-V232 HydrophobicContact CD2-CG2 4.01Å; Y210-V232 HydrophobicContact CE2-CG2 3.89Å; Y210-F264 WeakPolarHBondContact O-CZ 3.41Å; Y210-I268 HydrophobicContact CD1-CB 4.41Å; Y210-I268 HydrophobicContact CD1-CG1 3.75Å; Y210-I268 HydrophobicContact CD1-CG2 4.42Å; Y210-I268 HydrophobicContact CD2-CG1 4.23Å; Y210-I268 HydrophobicContact CD2-CG2 4.03Å; Y210-I268 HydrophobicContact CE1-CG1 4.32Å; Y210-I268 HydrophobicContact CE1-CG2 4.29Å; Y210-I268 HydrophobicContact CE2-CG2 3.96Å; Y210-I268 HydrophobicContact CG-CB 4.5Å; Y210-I268 HydrophobicContact CG-CD1 4.23Å; Y210-I268 HydrophobicContact CG-CG1 3.67Å; Y210-I268 HydrophobicContact CG-CG2 4.27Å; Y210-D271 HydrophobicContact CE1-CB 4.18Å; Y210-D271 PolarHBondContact OH-OD2 3.33Å; Y210-D271 VanDerWaalsContact OH-OD2 3.08Å; Y210-L272 WeakPolarHBondContact OH-CD2 3.49Å; Y210-R275 PolarHBondContact OH-NH2 2.88Å; Y210-R275 VanDerWaalsContact OH-NH2 3.1Å
211	I	98.7	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.9	-174.4	-46.5	179.6	0	0	0	108.4	V169 Y170 V172 F179 Y182 H213 T226 F229	V169-I211 WeakPolarHBondContact CA-O 3.42Å; Y170-I211 PolarHBondContact N-O 3.28Å; Y170-I211 PolarHBondContact O-N 3.48Å; V172-I211 HydrophobicContact CG2-CD1 4.01Å; F179-I211 HydrophobicContact CE2-CD1 3.56Å; F179-I211 HydrophobicContact CZ-CD1 4.11Å; Y182-I211 HydrophobicContact CD1-CD1 4.42Å; Y182-I211 HydrophobicContact CE1-CD1 3.7Å; I211-H213 VanDerWaalsContact CG2-NE2 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.34Å; I211-T226 HydrophobicContact CG2-CG2 3.79Å; I211-F229 HydrophobicContact CG1-CB 4.45Å
212	L	98.7	Very high	93.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.8	177	178.2	67.6	0	0	0	109.2	Y156 F167 V169 L227 G228 I251 H260 F264	Y156-L212 HydrophobicContact CE1-CD1 3.78Å; Y156-L212 WeakPolarHBondContact OH-CD1 3.14Å; F167-L212 HydrophobicContact CB-CD1 4.31Å; V169-L212 HydrophobicContact CG2-CD1 3.85Å; L212-L227 HydrophobicContact CB-CB 4.44Å; L212-L227 HydrophobicContact CD2-CB 3.84Å; L212-L227 HydrophobicContact CD2-CD2 4Å; L212-L227 HydrophobicContact CG-CB 4.01Å; L212-L227 HydrophobicContact CG-CD2 4.38Å; L212-L227 PolarHBondContact O-N 3.12Å; L212-G228 PolarHBondContact N-O 3.47Å; L212-I251 HydrophobicContact CD2-CD1 3.84Å; L212-H260 HydrophobicContact CD2-CB 4.04Å; L212-F264 HydrophobicContact CB-CD1 4.25Å; L212-F264 HydrophobicContact CB-CD2 4.02Å; L212-F264 HydrophobicContact CB-CE1 4.27Å; L212-F264 HydrophobicContact CB-CE2 4.05Å; L212-F264 HydrophobicContact CB-CG 4.12Å; L212-F264 HydrophobicContact CB-CZ 4.16Å; L212-F264 HydrophobicContact CD2-CB 4.24Å; L212-F264 HydrophobicContact CD2-CG 4.38Å
213	H	98.6	Very high	93.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.8	173.3	-62.5	-78.4	0	0	0	111.3	F146 F167 E168 Y170 Y182 I211 Y224 A225 T226	F146-H213 AromaticContact CE1-CE1 3.73Å; F146-H213 AromaticContact CZ-CE1 3.89Å; F167-H213 CarbonylContact C-O 3.58Å; F167-H213 VanDerWaalsContact CA-O 3.23Å; F167-H213 WeakPolarHBondContact CA-O 3.41Å; E168-H213 PolarHBondContact N-O 3.37Å; E168-H213 PolarHBondContact O-N 2.88Å; Y170-H213 AromaticContact CD2-CD2 3.84Å; Y182-H213 PolarHBondContact OH-CE1 2.95Å; I211-H213 VanDerWaalsContact CG2-NE2 3.31Å; I211-H213 WeakPolarHBondContact CG2-NE2 3.34Å; H213-Y224 HydrophobicContact CB-CD1 4.18Å; H213-A225 CarbonylContact C-O 3.48Å; H213-A225 VanDerWaalsContact CA-O 3.25Å; H213-A225 WeakPolarHBondContact CA-O 3.38Å; H213-T226 PolarHBondContact CE1-OG1 2.74Å; H213-T226 PolarHBondContact ND1-OG1 2.58Å
214	E	97.8	Very high	93.9	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.084	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.7	157.8	-178.7	-179.5	-175.8	0	0	108.3	R165 E166 F167 C216 Y224 A225 L227	R165-E214 IonicContact CZ-OE1 3.94Å; R165-E214 IonicContact CZ-OE2 3.84Å; R165-E214 IonicContact NE-OE1 2.69Å; R165-E214 PolarHBondContact NE-OE1 2.86Å; R165-E214 IonicContact NE-OE2 3.05Å; R165-E214 IonicContact NH2-OE1 3.96Å; R165-E214 PolarHBondContact NH2-OE1 3.03Å; R165-E214 IonicContact NH2-OE2 3.87Å; R165-E214 PolarHBondContact NH2-OE2 3.35Å; E166-E214 WeakPolarHBondContact O-CA 3.4Å; F167-E214 HydrophobicContact CD1-CB 3.71Å; F167-E214 HydrophobicContact CD1-CG 3.98Å; F167-E214 HydrophobicContact CE1-CB 3.64Å; F167-E214 HydrophobicContact CE1-CG 3.59Å; F167-E214 HydrophobicContact CZ-CG 4.18Å; E214-C216 PolarHBondContact O-N 3.31Å; E214-Y224 CarbonylContact O-C 3.5Å; E214-Y224 WeakPolarHBondContact O-CA 3.35Å; E214-A225 HydrophobicContact CB-CB 4.44Å; E214-A225 PolarHBondContact N-O 2.93Å; E214-A225 PolarHBondContact O-N 2.98Å; E214-L227 HydrophobicContact CB-CD1 3.52Å
215	K	97.4	Very high	94	Very high	65 Å²	65	45.8 Å²	45.8	28%	0.283	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	104.6	176	-177.2	177.6	165.2	-158.6	0	108.8	E166 E168 T222 Y224	E166-K215 HydrophobicContact CB-CB 4.39Å; E166-K215 PolarHBondContact O-N 2.93Å; E166-K215 IonicContact OE1-NZ 3.4Å; E166-K215 PolarHBondContact OE1-NZ 3.31Å; E166-K215 WeakPolarHBondContact OE2-CD 3.29Å; E166-K215 IonicContact OE2-NZ 2.77Å; E166-K215 PolarHBondContact OE2-NZ 3.34Å; E168-K215 IonicContact OE1-NZ 3.26Å; K215-T222 HydrophobicContact CD-CG2 4.42Å; K215-T222 HydrophobicContact CG-CG2 3.6Å; K215-Y224 HydrophobicContact CB-CD1 4.13Å; K215-Y224 HydrophobicContact CB-CE1 3.86Å; K215-Y224 HydrophobicContact CD-CE1 3.99Å; K215-Y224 HydrophobicContact CG-CD1 4.34Å; K215-Y224 HydrophobicContact CG-CE1 3.75Å
216	C	94.6	Very high	94.2	Very high	16 Å²	16	36.3 Å²	36.3	11%	0.108	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	146.5	-175.8	-62.3	0	0	0	0	110.9	E214 T222 Y223	E214-C216 PolarHBondContact O-N 3.31Å; C216-T222 VanDerWaalsContact O-CA 3.3Å; C216-T222 WeakPolarHBondContact O-CA 3.48Å; C216-T222 WeakPolarHBondContact O-CG2 3.06Å; C216-Y223 HydrophobicContact CB-CD1 3.91Å; C216-Y223 HydrophobicContact CB-CD2 4.13Å; C216-Y223 HydrophobicContact CB-CE1 3.41Å; C216-Y223 VanDerWaalsContact CB-CE1 3.41Å; C216-Y223 HydrophobicContact CB-CE2 3.66Å; C216-Y223 HydrophobicContact CB-CG 4.25Å; C216-Y223 PolarHBondContact N-O 3.45Å; C216-Y223 PolarHBondContact O-N 3.02Å
217	V	89.7	Confident	94.3	Very high	128 Å²	128	31.9 Å²	31.9	78%	0.776	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.9	170.4	-176.1	0	0	0	0	108.2
218	G	82.4	Confident	94.3	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	175.9	177.2	0	0	0	0	0	112.9	G220 G221	G218-G220 PolarHBondContact O-N 2.85Å; G218-G221 PolarHBondContact N-O 3.03Å; G218-G221 PolarHBondContact O-N 2.9Å
219	P	79.2	Confident	94.3	Very high	155 Å²	155	29.7 Å²	29.7	100%	1.006	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.9	176.3	-24.2	33.6	0	0	0	113.6	G221	P219-G221 VanDerWaalsContact C-N 3.29Å; P219-G221 PolarHBondContact O-N 2.85Å
220	G	79	Confident	94.3	Very high	56 Å²	56	29.6 Å²	29.6	58%	0.577	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	13.2	177.9	0	0	0	0	0	114.9	S144 G218	S144-G220 VanDerWaalsContact CB-O 3.26Å; S144-G220 WeakPolarHBondContact CB-O 3.44Å; S144-G220 PolarHBondContact OG-O 3.11Å; G218-G220 PolarHBondContact O-N 2.85Å
221	G	89.1	Confident	94.3	Very high	34 Å²	34	29.6 Å²	29.6	35%	0.351	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.9	-167.3	-175.8	0	0	0	0	0	113.5	G218 P219 Y223	G218-G221 PolarHBondContact N-O 3.03Å; G218-G221 PolarHBondContact O-N 2.9Å; P219-G221 VanDerWaalsContact C-N 3.29Å; P219-G221 PolarHBondContact O-N 2.85Å; G221-Y223 PolarHBondContact O-N 2.88Å
222	T	94.2	Very high	94.3	Very high	55 Å²	55	29.6 Å²	29.6	34%	0.337	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	179.9	-50.7	0	0	0	0	110.9	K147 K215 C216	K147-T222 PolarHBondContact NZ-O 3.19Å; K215-T222 HydrophobicContact CD-CG2 4.42Å; K215-T222 HydrophobicContact CG-CG2 3.6Å; C216-T222 VanDerWaalsContact O-CA 3.3Å; C216-T222 WeakPolarHBondContact O-CA 3.48Å; C216-T222 WeakPolarHBondContact O-CG2 3.06Å
223	Y	95.5	Very high	94.3	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	162.8	172.5	71.1	-84.2	0	0	0	110.1	V92 Q143 C216 G221 A225	V92-Y223 HydrophobicContact CG2-CE2 4Å; Q143-Y223 HydrophobicContact CB-CD2 4.48Å; Q143-Y223 HydrophobicContact CB-CG 4.48Å; C216-Y223 HydrophobicContact CB-CD1 3.91Å; C216-Y223 HydrophobicContact CB-CD2 4.13Å; C216-Y223 HydrophobicContact CB-CE1 3.41Å; C216-Y223 VanDerWaalsContact CB-CE1 3.41Å; C216-Y223 HydrophobicContact CB-CE2 3.66Å; C216-Y223 HydrophobicContact CB-CG 4.25Å; C216-Y223 PolarHBondContact N-O 3.45Å; C216-Y223 PolarHBondContact O-N 3.02Å; G221-Y223 PolarHBondContact O-N 2.88Å; Y223-A225 HydrophobicContact CE2-CB 4.28Å
224	Y	97.7	Very high	94.2	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.114	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.4	-174.8	-70.1	-88.9	0	0	0	109.5	A93 K147 P148 E168 H213 E214 K215	A93-Y224 VanDerWaalsContact CA-O 3.29Å; A93-Y224 WeakPolarHBondContact CA-O 3.43Å; K147-Y224 HydrophobicContact CD-CE2 4.16Å; P148-Y224 VanDerWaalsContact CD-CD2 3.42Å; P148-Y224 HydrophobicContact CG-CD1 3.53Å; P148-Y224 HydrophobicContact CG-CD2 3.96Å; P148-Y224 HydrophobicContact CG-CE1 3.92Å; P148-Y224 HydrophobicContact CG-CE2 4.3Å; P148-Y224 HydrophobicContact CG-CG 3.52Å; E168-Y224 WeakPolarHBondContact OE2-CE1 3.35Å; H213-Y224 HydrophobicContact CB-CD1 4.18Å; E214-Y224 CarbonylContact O-C 3.5Å; E214-Y224 WeakPolarHBondContact O-CA 3.35Å; K215-Y224 HydrophobicContact CB-CD1 4.13Å; K215-Y224 HydrophobicContact CB-CE1 3.86Å; K215-Y224 HydrophobicContact CD-CE1 3.99Å; K215-Y224 HydrophobicContact CG-CD1 4.34Å; K215-Y224 HydrophobicContact CG-CE1 3.75Å
225	A	97.5	Very high	94.2	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.8	175	0	0	0	0	0	109.5	V92 H213 E214 Y223 L227	V92-A225 HydrophobicContact CB-CB 3.9Å; V92-A225 HydrophobicContact CG2-CB 3.9Å; V92-A225 CarbonylContact O-C 3.46Å; H213-A225 CarbonylContact C-O 3.48Å; H213-A225 VanDerWaalsContact CA-O 3.25Å; H213-A225 WeakPolarHBondContact CA-O 3.38Å; E214-A225 HydrophobicContact CB-CB 4.44Å; E214-A225 PolarHBondContact N-O 2.93Å; E214-A225 PolarHBondContact O-N 2.98Å; Y223-A225 HydrophobicContact CE2-CB 4.28Å; A225-L227 VanDerWaalsContact O-CD1 3.23Å; A225-L227 WeakPolarHBondContact O-CD1 3.14Å
226	T	98.4	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.5	179.9	-54.6	0	0	0	0	110.2	V92 A93 F95 Y182 L186 I211 H213	V92-T226 PolarHBondContact O-N 3.34Å; A93-T226 PolarHBondContact O-OG1 3.07Å; A93-T226 VanDerWaalsContact O-OG1 3.05Å; F95-T226 HydrophobicContact CD2-CG2 4.5Å; F95-T226 HydrophobicContact CE2-CG2 4.01Å; F95-T226 HydrophobicContact CZ-CG2 4.5Å; Y182-T226 WeakPolarHBondContact OH-CB 3.45Å; Y182-T226 VanDerWaalsContact OH-CG2 3.22Å; Y182-T226 WeakPolarHBondContact OH-CG2 3.41Å; Y182-T226 PolarHBondContact OH-OG1 3.37Å; L186-T226 HydrophobicContact CD1-CG2 4.4Å; L186-T226 HydrophobicContact CD2-CG2 3.79Å; I211-T226 HydrophobicContact CG2-CG2 3.79Å; H213-T226 PolarHBondContact CE1-OG1 2.74Å; H213-T226 PolarHBondContact ND1-OG1 2.58Å
227	L	98.2	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-27.6	-176.3	-86.8	62.5	0	0	0	112.4	F167 L212 E214 A225 M252 Y255	F167-L227 HydrophobicContact CD1-CD2 3.71Å; F167-L227 HydrophobicContact CE1-CD2 3.63Å; L212-L227 HydrophobicContact CB-CB 4.44Å; L212-L227 HydrophobicContact CD2-CB 3.84Å; L212-L227 HydrophobicContact CD2-CD2 4Å; L212-L227 HydrophobicContact CG-CB 4.01Å; L212-L227 HydrophobicContact CG-CD2 4.38Å; L212-L227 PolarHBondContact O-N 3.12Å; E214-L227 HydrophobicContact CB-CD1 3.52Å; A225-L227 VanDerWaalsContact O-CD1 3.23Å; A225-L227 WeakPolarHBondContact O-CD1 3.14Å; L227-M252 WeakPolarHBondContact O-CB 3.24Å; L227-M252 WeakPolarHBondContact O-CG 3.36Å; L227-M252 PolarHBondContact O-N 3.26Å; L227-Y255 HydrophobicContact CB-CD2 3.88Å; L227-Y255 HydrophobicContact CB-CE2 4.29Å; L227-Y255 HydrophobicContact CB-CG 4.32Å; L227-Y255 HydrophobicContact CD1-CD2 4.41Å; L227-Y255 HydrophobicContact CD1-CE1 4.47Å; L227-Y255 HydrophobicContact CD1-CE2 4.19Å; L227-Y255 HydrophobicContact CD2-CD1 4.49Å; L227-Y255 HydrophobicContact CD2-CG 4.26Å; L227-Y255 HydrophobicContact CG-CD1 4.07Å; L227-Y255 HydrophobicContact CG-CD2 3.61Å; L227-Y255 HydrophobicContact CG-CE1 4.31Å; L227-Y255 HydrophobicContact CG-CE2 3.87Å; L227-Y255 HydrophobicContact CG-CG 3.7Å
228	G	98.3	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	171.8	-172.8	0	0	0	0	0	112	L212 I250	L212-G228 PolarHBondContact N-O 3.47Å; G228-I250 CarbonylContact C-O 3.59Å; G228-I250 WeakPolarHBondContact CA-O 3.43Å
229	F	98.6	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.1	177	79	-83.3	0	0	0	111.1	I183 L186 Q187 A190 Y210 I211 Q248 I250	I183-F229 HydrophobicContact CD1-CD2 3.83Å; I183-F229 HydrophobicContact CD1-CE2 4.13Å; I183-F229 HydrophobicContact CD1-CG 4.22Å; L186-F229 HydrophobicContact CB-CD1 3.83Å; L186-F229 HydrophobicContact CB-CE1 3.88Å; L186-F229 HydrophobicContact CD1-CB 4.37Å; L186-F229 HydrophobicContact CD1-CD1 4.39Å; L186-F229 HydrophobicContact CD1-CG 4.5Å; L186-F229 HydrophobicContact CD2-CD1 4.33Å; L186-F229 HydrophobicContact CG-CD1 4.44Å; Q187-F229 HydrophobicContact CG-CE2 4.23Å; Q187-F229 HydrophobicContact CG-CZ 3.86Å; A190-F229 HydrophobicContact CB-CE1 3.72Å; A190-F229 HydrophobicContact CB-CZ 3.96Å; Y210-F229 CarbonylContact O-C 3.53Å; Y210-F229 WeakPolarHBondContact O-CA 3.28Å; Y210-F229 WeakPolarHBondContact O-CB 3.31Å; I211-F229 HydrophobicContact CG1-CB 4.45Å; F229-Q248 HydrophobicContact CE2-CB 4.14Å; F229-Q248 HydrophobicContact CZ-CB 4.43Å; F229-I250 HydrophobicContact CD1-CG2 3.66Å; F229-I250 HydrophobicContact CE1-CG2 3.6Å; F229-I250 HydrophobicContact CZ-CG2 4.42Å; F229-I250 PolarHBondContact N-O 3.49Å; F229-I250 PolarHBondContact O-N 3.39Å
230	C	98.7	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.7	170.6	-178.2	0	0	0	0	108.4	Y209 Y210 Q248 F249 F264 I268	Y209-C230 CarbonylContact C-O 3.58Å; Y209-C230 WeakPolarHBondContact CA-O 3.4Å; Y210-C230 PolarHBondContact N-O 2.95Å; Y210-C230 PolarHBondContact O-N 3.22Å; C230-Q248 CarbonylContact C-O 3.52Å; C230-Q248 WeakPolarHBondContact CA-O 3.38Å; C230-F249 HydrophobicContact CB-CD2 3.88Å; C230-F264 HydrophobicContact CB-CE1 4.17Å; C230-F264 HydrophobicContact CB-CZ 4.1Å; C230-I268 HydrophobicContact CB-CD1 3.56Å
231	S	98.4	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.7	166.1	69	0	0	0	0	109.6	A247 Q248	S231-A247 PolarHBondContact O-N 3.35Å; S231-Q248 PolarHBondContact N-O 3.27Å; S231-Q248 PolarHBondContact O-N 3.43Å; S231-Q248 WeakPolarHBondContact OG-CB 3.43Å; S231-Q248 VanDerWaalsContact OG-CG 3.28Å; S231-Q248 WeakPolarHBondContact OG-CG 3.17Å; S231-Q248 PolarHBondContact OG-N 2.96Å; S231-Q248 PolarHBondContact OG-OE1 2.89Å
232	V	98.3	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.8	-179.2	-179.4	0	0	0	0	107.7	E208 Y210 P244 R245 I246	E208-V232 HydrophobicContact CB-CB 4.45Å; E208-V232 PolarHBondContact N-O 2.78Å; E208-V232 PolarHBondContact O-N 3.44Å; Y210-V232 HydrophobicContact CD2-CG2 4.01Å; Y210-V232 HydrophobicContact CE2-CG2 3.89Å; V232-P244 HydrophobicContact CG1-CB 3.56Å; V232-R245 CarbonylContact C-O 3.57Å; V232-R245 VanDerWaalsContact CA-O 3.32Å; V232-R245 WeakPolarHBondContact CA-O 3.49Å; V232-I246 HydrophobicContact CG2-CG1 4.22Å
233	Y	98	Very high	96.3	Very high	35 Å²	35	45 Å²	45	14%	0.137	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.9	172.7	-164.9	-90.9	0	0	0	110.3	D204 K206 W207 F235 R245	D204-Y233 WeakPolarHBondContact OD2-CE2 3.38Å; D204-Y233 PolarHBondContact OD2-OH 3.35Å; K206-Y233 HydrophobicContact CB-CD2 4.27Å; K206-Y233 HydrophobicContact CB-CE1 4.15Å; K206-Y233 HydrophobicContact CB-CE2 3.82Å; K206-Y233 HydrophobicContact CD-CE1 3.84Å; K206-Y233 HydrophobicContact CD-CE2 4.43Å; K206-Y233 WeakPolarHBondContact CD-OH 3.48Å; W207-Y233 AromaticContact CD2-CD2 3.6Å; W207-Y233 HydrophobicContact CD2-CD2 3.6Å; W207-Y233 HydrophobicContact CD2-CE2 4.27Å; W207-Y233 AromaticContact CE2-CD2 3.41Å; W207-Y233 VanDerWaalsContact CE2-CD2 3.41Å; W207-Y233 AromaticContact CE2-CE2 3.81Å; W207-Y233 AromaticContact CE3-CD2 3.86Å; W207-Y233 HydrophobicContact CE3-CD2 3.86Å; W207-Y233 HydrophobicContact CE3-CG 4.5Å; W207-Y233 HydrophobicContact CG-CD2 4.21Å; W207-Y233 AromaticContact CH2-CD2 3.76Å; W207-Y233 HydrophobicContact CH2-CD2 3.76Å; W207-Y233 HydrophobicContact CH2-CG 4.29Å; W207-Y233 AromaticContact CZ2-CD2 3.49Å; W207-Y233 HydrophobicContact CZ2-CD2 3.49Å; W207-Y233 VanDerWaalsContact CZ2-CD2 3.49Å; W207-Y233 HydrophobicContact CZ2-CE2 4.05Å; W207-Y233 HydrophobicContact CZ2-CG 4.41Å; W207-Y233 AromaticContact CZ3-CD2 3.93Å; W207-Y233 HydrophobicContact CZ3-CD2 3.93Å; W207-Y233 HydrophobicContact CZ3-CG 4.34Å; W207-Y233 AromaticContact NE1-CD2 3.92Å; W207-Y233 AromaticContact NE1-CE2 3.86Å; Y233-F235 HydrophobicContact CD1-CD1 4.09Å; Y233-F235 AromaticContact CD1-CD2 3.67Å; Y233-F235 HydrophobicContact CD1-CD2 3.67Å; Y233-F235 AromaticContact CD1-CE1 3.71Å; Y233-F235 HydrophobicContact CD1-CE1 3.71Å; Y233-F235 AromaticContact CD1-CE2 3.22Å; Y233-F235 HydrophobicContact CD1-CE2 3.22Å; Y233-F235 HydrophobicContact CD1-CG 4.04Å; Y233-F235 AromaticContact CD1-CZ 3.19Å; Y233-F235 HydrophobicContact CD1-CZ 3.19Å; Y233-F235 HydrophobicContact CE1-CD1 4.02Å; Y233-F235 HydrophobicContact CE1-CD2 4.42Å; Y233-F235 AromaticContact CE1-CE1 3.6Å; Y233-F235 HydrophobicContact CE1-CE1 3.6Å; Y233-F235 HydrophobicContact CE1-CE2 4.02Å; Y233-F235 HydrophobicContact CE1-CG 4.37Å; Y233-F235 AromaticContact CE1-CZ 3.54Å; Y233-F235 HydrophobicContact CE1-CZ 3.54Å; Y233-F235 AromaticContact CG-CE2 3.96Å; Y233-F235 HydrophobicContact CG-CE2 3.96Å; Y233-F235 HydrophobicContact CG-CZ 4.07Å; Y233-F235 PolarHBondContact O-N 3.12Å; Y233-R245 PolarHBondContact N-O 3.46Å; Y233-R245 PolarHBondContact O-N 3.08Å
234	N	97.4	Very high	96.5	Very high	25 Å²	25	43 Å²	43	13%	0.134	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96	-178.9	-69.2	-50.5	0	0	0	111	K206 E208	K206-N234 WeakPolarHBondContact O-CB 3.42Å; K206-N234 PolarHBondContact O-N 3.07Å; K206-N234 PolarHBondContact O-ND2 3.17Å; E208-N234 PolarHBondContact OE2-ND2 3.48Å
235	F	97.3	Very high	96.5	Very high	69 Å²	69	44.8 Å²	44.8	30%	0.303	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.8	172.5	-72.6	-83.6	0	0	0	110.7	Y233 V242 K243 R245	Y233-F235 HydrophobicContact CD1-CD1 4.09Å; Y233-F235 AromaticContact CD1-CD2 3.67Å; Y233-F235 HydrophobicContact CD1-CD2 3.67Å; Y233-F235 AromaticContact CD1-CE1 3.71Å; Y233-F235 HydrophobicContact CD1-CE1 3.71Å; Y233-F235 AromaticContact CD1-CE2 3.22Å; Y233-F235 HydrophobicContact CD1-CE2 3.22Å; Y233-F235 HydrophobicContact CD1-CG 4.04Å; Y233-F235 AromaticContact CD1-CZ 3.19Å; Y233-F235 HydrophobicContact CD1-CZ 3.19Å; Y233-F235 HydrophobicContact CE1-CD1 4.02Å; Y233-F235 HydrophobicContact CE1-CD2 4.42Å; Y233-F235 AromaticContact CE1-CE1 3.6Å; Y233-F235 HydrophobicContact CE1-CE1 3.6Å; Y233-F235 HydrophobicContact CE1-CE2 4.02Å; Y233-F235 HydrophobicContact CE1-CG 4.37Å; Y233-F235 AromaticContact CE1-CZ 3.54Å; Y233-F235 HydrophobicContact CE1-CZ 3.54Å; Y233-F235 AromaticContact CG-CE2 3.96Å; Y233-F235 HydrophobicContact CG-CE2 3.96Å; Y233-F235 HydrophobicContact CG-CZ 4.07Å; Y233-F235 PolarHBondContact O-N 3.12Å; F235-V242 CarbonylContact O-C 3.52Å; F235-V242 WeakPolarHBondContact O-CA 3.45Å; F235-K243 HydrophobicContact CB-CB 4.34Å; F235-K243 WeakPolarHBondContact CB-O 3.39Å; F235-K243 PolarHBondContact N-O 3.31Å; F235-K243 PolarHBondContact O-N 2.94Å; F235-R245 HydrophobicContact CD2-CB 3.97Å; F235-R245 HydrophobicContact CE2-CB 3.84Å; F235-R245 VanDerWaalsContact CZ-CZ 3.46Å
236	Y	95.5	Very high	96.5	Very high	144 Å²	144	44.8 Å²	44.8	57%	0.565	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.4	170.2	171.9	-107.1	0	0	0	109.9	P239	Y236-P239 VanDerWaalsContact CE2-O 3.32Å; Y236-P239 WeakPolarHBondContact CE2-O 3.44Å; Y236-P239 VanDerWaalsContact CZ-O 3.32Å; Y236-P239 PolarHBondContact OH-O 2.89Å
237	M	92.3	Very high	96.4	Very high	56 Å²	56	45.7 Å²	45.7	28%	0.276	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.7	174.5	-176	69.5	178.6	0	0	108.3	Y241 K243	M237-Y241 PolarHBondContact N-O 3.44Å; M237-Y241 CarbonylContact O-C 3.54Å; M237-Y241 WeakPolarHBondContact O-CA 3.41Å; M237-Y241 WeakPolarHBondContact O-CB 3.3Å; M237-Y241 PolarHBondContact O-N 3.11Å; M237-K243 HydrophobicContact CB-CB 4.37Å
238	Y	89.8	Confident	96.4	Very high	184 Å²	184	46.3 Å²	46.3	72%	0.722	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	145.4	-178.2	-179.8	-88	0	0	0	111.9
239	P	91.8	Very high	96.4	Very high	53 Å²	53	47.7 Å²	47.7	34%	0.344	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.7	-38.9	-3.1	29.8	-33.2	0	0	0	114.4	Y236	Y236-P239 VanDerWaalsContact CE2-O 3.32Å; Y236-P239 WeakPolarHBondContact CE2-O 3.44Å; Y236-P239 VanDerWaalsContact CZ-O 3.32Å; Y236-P239 PolarHBondContact OH-O 2.89Å
240	D	92.1	Very high	96.4	Very high	137 Å²	137	48.1 Å²	48.1	73%	0.733	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.3	31.8	-171.4	-65.1	-53.1	0	0	0	111.8
241	Y	95.9	Very high	96.4	Very high	86 Å²	86	48.7 Å²	48.7	34%	0.337	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	163.7	179.5	-63.8	-76.4	0	0	0	111.8	M237 S277 W279	M237-Y241 PolarHBondContact N-O 3.44Å; M237-Y241 CarbonylContact O-C 3.54Å; M237-Y241 WeakPolarHBondContact O-CA 3.41Å; M237-Y241 WeakPolarHBondContact O-CB 3.3Å; M237-Y241 PolarHBondContact O-N 3.11Å; Y241-S277 CarbonylContact C-O 3.47Å; Y241-S277 VanDerWaalsContact CA-O 3.27Å; Y241-S277 WeakPolarHBondContact CA-O 2.98Å; Y241-W279 HydrophobicContact CD1-CE3 4.15Å; Y241-W279 HydrophobicContact CD2-CE3 4.13Å; Y241-W279 HydrophobicContact CE1-CE3 4.19Å; Y241-W279 HydrophobicContact CE2-CE3 4.16Å; Y241-W279 HydrophobicContact CE2-CZ3 4.19Å; Y241-W279 HydrophobicContact CG-CB 4.47Å; Y241-W279 HydrophobicContact CG-CE3 4.13Å
242	V	96.6	Very high	96.3	Very high	38 Å²	38	48.7 Å²	48.7	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.6	165.4	-62.7	0	0	0	0	109.9	F235 P244 S277 V278 W279	F235-V242 CarbonylContact O-C 3.52Å; F235-V242 WeakPolarHBondContact O-CA 3.45Å; V242-P244 HydrophobicContact CG2-CG 4.27Å; V242-P244 WeakPolarHBondContact O-CD 3.33Å; V242-S277 PolarHBondContact N-O 2.96Å; V242-V278 HydrophobicContact CG2-CG2 3.85Å; V242-W279 PolarHBondContact O-N 2.83Å
243	K	96.7	Very high	96.1	Very high	43 Å²	43	49.3 Å²	49.3	19%	0.187	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	88.5	171.2	-178.6	168.8	170.7	162.8	0	107.3	F235 M237 R245 H280 T282	F235-K243 HydrophobicContact CB-CB 4.34Å; F235-K243 WeakPolarHBondContact CB-O 3.39Å; F235-K243 PolarHBondContact N-O 3.31Å; F235-K243 PolarHBondContact O-N 2.94Å; M237-K243 HydrophobicContact CB-CB 4.37Å; K243-R245 PolarHBondContact O-N 3.39Å; K243-H280 WeakPolarHBondContact CE-NE2 3.46Å; K243-H280 PolarHBondContact NZ-NE2 2.65Å; K243-H280 VanDerWaalsContact NZ-NE2 3.11Å; K243-T282 HydrophobicContact CD-CG2 4.41Å; K243-T282 HydrophobicContact CG-CG2 4.31Å
244	P	98	Very high	95.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.1	-179.9	-18.6	32	0	0	0	110.3	V232 V242 L272 V278 H280 V281 T282	V232-P244 HydrophobicContact CG1-CB 3.56Å; V242-P244 HydrophobicContact CG2-CG 4.27Å; V242-P244 WeakPolarHBondContact O-CD 3.33Å; P244-L272 HydrophobicContact CB-CD1 4.23Å; P244-L272 HydrophobicContact CB-CD2 4.19Å; P244-L272 HydrophobicContact CG-CD2 4.08Å; P244-V278 HydrophobicContact CG-CB 4.49Å; P244-V278 HydrophobicContact CG-CG1 3.91Å; P244-V278 HydrophobicContact CG-CG2 3.86Å; P244-H280 WeakPolarHBondContact CD-O 3.13Å; P244-V281 CarbonylContact O-C 3.51Å; P244-V281 WeakPolarHBondContact O-CA 3.08Å; P244-T282 PolarHBondContact O-N 3.08Å
245	R	98.1	Very high	95.7	Very high	68 Å²	68	50.6 Å²	50.6	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.7	173.5	175.2	150.8	49.8	104.1	-21.7	109.7	V232 Y233 F235 K243 A247 T282 E284	V232-R245 CarbonylContact C-O 3.57Å; V232-R245 VanDerWaalsContact CA-O 3.32Å; V232-R245 WeakPolarHBondContact CA-O 3.49Å; Y233-R245 PolarHBondContact N-O 3.46Å; Y233-R245 PolarHBondContact O-N 3.08Å; F235-R245 HydrophobicContact CD2-CB 3.97Å; F235-R245 HydrophobicContact CE2-CB 3.84Å; F235-R245 VanDerWaalsContact CZ-CZ 3.46Å; K243-R245 PolarHBondContact O-N 3.39Å; R245-A247 PolarHBondContact O-N 3.26Å; R245-A247 VanDerWaalsContact O-N 3.16Å; R245-T282 CarbonylContact C-O 3.52Å; R245-T282 WeakPolarHBondContact CA-O 3.14Å; R245-T282 WeakPolarHBondContact CB-OG1 3.38Å; R245-E284 HydrophobicContact CG-CB 4.06Å; R245-E284 IonicContact CZ-OE2 3.57Å; R245-E284 IonicContact NH1-OE1 2.79Å; R245-E284 IonicContact NH1-OE2 2.74Å; R245-E284 PolarHBondContact NH1-OE2 3.46Å
246	I	98.2	Very high	95.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	111.9	169	-66	173	0	0	0	107.4	V232 F249 L265 V281 T282 V283 E284 F290	V232-I246 HydrophobicContact CG2-CG1 4.22Å; I246-F249 HydrophobicContact CG2-CB 4.11Å; I246-L265 HydrophobicContact CD1-CD1 3.86Å; I246-V281 HydrophobicContact CD1-CG1 4.11Å; I246-V281 HydrophobicContact CG1-CG1 4.15Å; I246-T282 PolarHBondContact N-O 3.24Å; I246-V283 HydrophobicContact CB-CG1 4.23Å; I246-V283 HydrophobicContact CB-CG2 4.24Å; I246-V283 HydrophobicContact CD1-CG2 4.37Å; I246-V283 HydrophobicContact CG2-CG1 4.27Å; I246-E284 PolarHBondContact O-N 2.67Å; I246-F290 HydrophobicContact CD1-CZ 4.36Å; I246-F290 HydrophobicContact CG2-CZ 4.35Å
247	A	97.2	Very high	95.4	Very high	20 Å²	20	53.7 Å²	53.7	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-44.3	-175.8	0	0	0	0	0	111.8	W207 S231 R245 E284	W207-A247 HydrophobicContact CH2-CB 3.96Å; W207-A247 HydrophobicContact CZ3-CB 3.76Å; S231-A247 PolarHBondContact O-N 3.35Å; R245-A247 PolarHBondContact O-N 3.26Å; R245-A247 VanDerWaalsContact O-N 3.16Å; A247-E284 WeakPolarHBondContact CB-OE2 3.17Å
248	Q	97.5	Very high	95.3	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.8	178.4	-54.5	165.7	-3.9	0	0	107.9	L197 S198 F229 C230 S231	L197-Q248 HydrophobicContact CD1-CB 4.31Å; L197-Q248 HydrophobicContact CD1-CG 3.92Å; L197-Q248 HydrophobicContact CG-CG 4.23Å; S198-Q248 PolarHBondContact O-NE2 2.99Å; F229-Q248 HydrophobicContact CE2-CB 4.14Å; F229-Q248 HydrophobicContact CZ-CB 4.43Å; C230-Q248 CarbonylContact C-O 3.52Å; C230-Q248 WeakPolarHBondContact CA-O 3.38Å; S231-Q248 PolarHBondContact N-O 3.27Å; S231-Q248 PolarHBondContact O-N 3.43Å; S231-Q248 WeakPolarHBondContact OG-CB 3.43Å; S231-Q248 VanDerWaalsContact OG-CG 3.28Å; S231-Q248 WeakPolarHBondContact OG-CG 3.17Å; S231-Q248 PolarHBondContact OG-N 2.96Å; S231-Q248 PolarHBondContact OG-OE1 2.89Å
249	F	98.3	Very high	95.4	Very high	30 Å²	30	46.9 Å²	46.9	13%	0.132	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	120.6	173.9	-177.9	-82.9	0	0	0	109.5	C230 I246 I251 F264 L265 I268 F290 I293	C230-F249 HydrophobicContact CB-CD2 3.88Å; I246-F249 HydrophobicContact CG2-CB 4.11Å; F249-I251 HydrophobicContact CE1-CG1 4.47Å; F249-F264 AromaticContact CE2-CD1 3.69Å; F249-F264 HydrophobicContact CE2-CD1 3.69Å; F249-F264 HydrophobicContact CE2-CE1 4.09Å; F249-F264 HydrophobicContact CE2-CG 4.39Å; F249-F264 AromaticContact CZ-CD1 3.83Å; F249-F264 HydrophobicContact CZ-CD1 3.83Å; F249-L265 HydrophobicContact CE2-CB 3.98Å; F249-L265 HydrophobicContact CE2-CD1 4.2Å; F249-L265 HydrophobicContact CZ-CB 4.01Å; F249-I268 HydrophobicContact CD2-CD1 4.41Å; F249-I268 HydrophobicContact CE2-CD1 4.04Å; F249-F290 HydrophobicContact CB-CD2 3.97Å; F249-F290 HydrophobicContact CB-CE2 3.65Å; F249-F290 AromaticContact CD1-CD2 3.62Å; F249-F290 HydrophobicContact CD1-CD2 3.62Å; F249-F290 AromaticContact CD1-CE2 3.6Å; F249-F290 HydrophobicContact CD1-CE2 3.6Å; F249-F290 AromaticContact CD2-CE2 3.87Å; F249-F290 HydrophobicContact CD2-CE2 3.87Å; F249-F290 HydrophobicContact CE1-CD2 4.28Å; F249-F290 HydrophobicContact CE1-CE2 4.18Å; F249-F290 HydrophobicContact CE2-CE2 4.41Å; F249-F290 AromaticContact CG-CD2 3.86Å; F249-F290 HydrophobicContact CG-CD2 3.86Å; F249-F290 AromaticContact CG-CE2 3.43Å; F249-F290 HydrophobicContact CG-CE2 3.43Å; F249-F290 VanDerWaalsContact CG-CE2 3.43Å; F249-I293 HydrophobicContact CD1-CD1 4.35Å; F249-I293 HydrophobicContact CE1-CD1 3.62Å; F249-I293 HydrophobicContact CZ-CD1 4.12Å
250	I	97.9	Very high	95.6	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.2	178.5	-165.1	167.5	0	0	0	112	A190 F193 I194 G228 F229 M252	A190-I250 HydrophobicContact CB-CD1 4Å; A190-I250 HydrophobicContact CB-CG2 4.01Å; F193-I250 HydrophobicContact CB-CD1 3.86Å; F193-I250 HydrophobicContact CD2-CD1 4.23Å; F193-I250 HydrophobicContact CG-CD1 4.42Å; I194-I250 HydrophobicContact CD1-CB 4.06Å; I194-I250 HydrophobicContact CD1-CD1 4.4Å; I194-I250 HydrophobicContact CG1-CD1 4.38Å; G228-I250 CarbonylContact C-O 3.59Å; G228-I250 WeakPolarHBondContact CA-O 3.43Å; F229-I250 HydrophobicContact CD1-CG2 3.66Å; F229-I250 HydrophobicContact CE1-CG2 3.6Å; F229-I250 HydrophobicContact CZ-CG2 4.42Å; F229-I250 PolarHBondContact N-O 3.49Å; F229-I250 PolarHBondContact O-N 3.39Å; I250-M252 HydrophobicContact CD1-SD 4.37Å; I250-M252 HydrophobicContact CG2-CE 4.11Å
251	I	98.2	Very high	95.9	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.5	156.1	-61.2	-60.7	0	0	0	106.3	L212 F249 Q256 H260 F264	L212-I251 HydrophobicContact CD2-CD1 3.84Å; F249-I251 HydrophobicContact CE1-CG1 4.47Å; I251-Q256 HydrophobicContact CB-CG 4.25Å; I251-Q256 HydrophobicContact CG2-CG 4.15Å; I251-Q256 WeakPolarHBondContact O-CG 3.48Å; I251-Q256 PolarHBondContact O-NE2 3.34Å; I251-H260 HydrophobicContact CD1-CB 4.35Å; I251-H260 HydrophobicContact CG2-CB 4.42Å; I251-F264 HydrophobicContact CD1-CB 4.48Å; I251-F264 HydrophobicContact CD1-CD1 3.77Å; I251-F264 HydrophobicContact CD1-CE1 4.48Å
252	M	97.3	Very high	95.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.			trans	-60.3	143.4	-178	-63.9	-61.3	167	0	0	110.5	M50 F95 L186 A189 L227 I250 Q254 Y255 Q256	M50-M252 HydrophobicContact CE-CB 4Å; M50-M252 HydrophobicContact CE-CG 3.77Å; M50-M252 HydrophobicContact CE-SD 3.46Å; M50-M252 WeakPolarHBondContact CE-SD 3.45Å; M50-M252 HydrophobicContact SD-CG 4.42Å; F95-M252 HydrophobicContact CE1-CE 3.63Å; F95-M252 HydrophobicContact CE1-CG 4.4Å; F95-M252 HydrophobicContact CE1-SD 4.27Å; F95-M252 HydrophobicContact CZ-CE 4.05Å; F95-M252 HydrophobicContact CZ-CG 4.06Å; L186-M252 HydrophobicContact CD2-CE 4.05Å; A189-M252 HydrophobicContact CB-CE 3.87Å; A189-M252 HydrophobicContact CB-SD 4.26Å; L227-M252 WeakPolarHBondContact O-CB 3.24Å; L227-M252 WeakPolarHBondContact O-CG 3.36Å; L227-M252 PolarHBondContact O-N 3.26Å; I250-M252 HydrophobicContact CD1-SD 4.37Å; I250-M252 HydrophobicContact CG2-CE 4.11Å; M252-Q254 VanDerWaalsContact C-N 3.31Å; M252-Q254 PolarHBondContact O-N 2.92Å; M252-Q254 VanDerWaalsContact O-N 3.07Å; M252-Y255 HydrophobicContact CB-CD2 3.92Å; M252-Y255 HydrophobicContact CB-CE2 4.25Å; M252-Y255 PolarHBondContact O-N 3.26Å; M252-Q256 PolarHBondContact O-N 3.07Å
253	P	94.8	Very high	95.8	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.091	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-50.2	-41	-165.8	-31.3	34.7	0	0	0	115.9	F64 F193 Y255 Q256	F64-P253 HydrophobicContact CB-CB 3.98Å; F64-P253 HydrophobicContact CB-CG 4.26Å; F64-P253 HydrophobicContact CD1-CB 3.36Å; F64-P253 HydrophobicContact CD1-CG 4.45Å; F64-P253 HydrophobicContact CD2-CB 3.84Å; F64-P253 HydrophobicContact CE1-CB 3.74Å; F64-P253 HydrophobicContact CE2-CB 4.23Å; F64-P253 HydrophobicContact CG-CB 3.42Å; F64-P253 VanDerWaalsContact CG-CB 3.42Å; F64-P253 HydrophobicContact CG-CG 4.2Å; F64-P253 HydrophobicContact CZ-CB 4.18Å; F193-P253 HydrophobicContact CD1-CG 3.92Å; F193-P253 HydrophobicContact CD2-CG 4.13Å; F193-P253 HydrophobicContact CE1-CG 3.51Å; F193-P253 HydrophobicContact CE2-CG 3.76Å; F193-P253 HydrophobicContact CG-CG 4.22Å; F193-P253 HydrophobicContact CZ-CG 3.44Å; F193-P253 VanDerWaalsContact CZ-CG 3.44Å; P253-Y255 PolarHBondContact O-N 2.95Å; P253-Y255 VanDerWaalsContact O-N 3.11Å; P253-Q256 WeakPolarHBondContact O-CB 3.45Å; P253-Q256 PolarHBondContact O-N 3.28Å
254	Q	92.3	Very high	95.9	Very high	56 Å²	56	33.6 Å²	33.6	26%	0.262	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-66.5	-15	-179.3	72.9	-113.4	35.6	0	0	114.9	F64 M252	F64-Q254 HydrophobicContact CE2-CB 3.57Å; F64-Q254 VanDerWaalsContact CZ-CA 3.47Å; F64-Q254 HydrophobicContact CZ-CB 3.82Å; M252-Q254 VanDerWaalsContact C-N 3.31Å; M252-Q254 PolarHBondContact O-N 2.92Å; M252-Q254 VanDerWaalsContact O-N 3.07Å
255	Y	94.1	Very high	95.9	Very high	31 Å²	31	33.6 Å²	33.6	12%	0.122	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-108.2	0.8	-178.6	-47.6	-60.5	0	0	0	112.1	L227 M252 P253 H260	L227-Y255 HydrophobicContact CB-CD2 3.88Å; L227-Y255 HydrophobicContact CB-CE2 4.29Å; L227-Y255 HydrophobicContact CB-CG 4.32Å; L227-Y255 HydrophobicContact CD1-CD2 4.41Å; L227-Y255 HydrophobicContact CD1-CE1 4.47Å; L227-Y255 HydrophobicContact CD1-CE2 4.19Å; L227-Y255 HydrophobicContact CD2-CD1 4.49Å; L227-Y255 HydrophobicContact CD2-CG 4.26Å; L227-Y255 HydrophobicContact CG-CD1 4.07Å; L227-Y255 HydrophobicContact CG-CD2 3.61Å; L227-Y255 HydrophobicContact CG-CE1 4.31Å; L227-Y255 HydrophobicContact CG-CE2 3.87Å; L227-Y255 HydrophobicContact CG-CG 3.7Å; M252-Y255 HydrophobicContact CB-CD2 3.92Å; M252-Y255 HydrophobicContact CB-CE2 4.25Å; M252-Y255 PolarHBondContact O-N 3.26Å; P253-Y255 PolarHBondContact O-N 2.95Å; P253-Y255 VanDerWaalsContact O-N 3.11Å; Y255-H260 PolarHBondContact O-CD2 2.83Å
256	Q	94.7	Very high	95.9	Very high	94 Å²	94	30.5 Å²	30.5	44%	0.439	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	166.3	176.5	-66.3	-176.4	1.8	0	0	111.5	I251 M252 P253 C258	I251-Q256 HydrophobicContact CB-CG 4.25Å; I251-Q256 HydrophobicContact CG2-CG 4.15Å; I251-Q256 WeakPolarHBondContact O-CG 3.48Å; I251-Q256 PolarHBondContact O-NE2 3.34Å; M252-Q256 PolarHBondContact O-N 3.07Å; P253-Q256 WeakPolarHBondContact O-CB 3.45Å; P253-Q256 PolarHBondContact O-N 3.28Å; Q256-C258 PolarHBondContact O-N 3.49Å
257	L	91.1	Very high	95.8	Very high	183 Å²	183	30.8 Å²	30.8	96%	0.958	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	3.5	-179.7	-53.9	179	0	0	0	115.9
258	C	91.2	Very high	95.9	Very high	71 Å²	71	29.8 Å²	29.8	48%	0.48	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.2	176.2	-70	0	0	0	0	113	K158 Q256	K158-C258 PolarHBondContact NZ-O 3.36Å; Q256-C258 PolarHBondContact O-N 3.49Å
259	G	92.4	Very high	95.9	Very high	26 Å²	26	29.8 Å²	29.8	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	7.4	-177.8	0	0	0	0	0	115.4	G261 T262 R263	G259-G261 VanDerWaalsContact C-N 3.34Å; G259-T262 PolarHBondContact O-OG1 2.82Å; G259-R263 PolarHBondContact O-N 2.82Å
260	H	95.9	Very high	95.8	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-39.1	173.3	-69.4	-64.1	0	0	0	112	Y156 K158 F167 L212 I251 Y255 R263 F264	Y156-H260 AromaticContact CE2-ND1 3.89Å; Y156-H260 AromaticContact CZ-ND1 3.83Å; Y156-H260 PolarHBondContact OH-ND1 3.31Å; K158-H260 WeakPolarHBondContact CD-CE1 3.33Å; K158-H260 PolarHBondContact NZ-CE1 2.9Å; K158-H260 PolarHBondContact NZ-NE2 3.38Å; F167-H260 AromaticContact CD1-CE1 3.79Å; F167-H260 AromaticContact CE1-CE1 3.38Å; F167-H260 WeakPolarHBondContact CE1-CE1 3.38Å; F167-H260 AromaticContact CE2-CE1 3.82Å; F167-H260 AromaticContact CZ-CE1 3.41Å; F167-H260 VanDerWaalsContact CZ-CE1 3.41Å; F167-H260 WeakPolarHBondContact CZ-CE1 3.34Å; L212-H260 HydrophobicContact CD2-CB 4.04Å; I251-H260 HydrophobicContact CD1-CB 4.35Å; I251-H260 HydrophobicContact CG2-CB 4.42Å; Y255-H260 PolarHBondContact O-CD2 2.83Å; H260-R263 PolarHBondContact O-N 3Å; H260-F264 WeakPolarHBondContact O-CB 3.41Å; H260-F264 PolarHBondContact O-N 3.19Å
261	G	97	Very high	95.8	Very high	13 Å²	13	29.9 Å²	29.9	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-48.1	179.3	0	0	0	0	0	113.1	G259 R263 F264 L265	G259-G261 VanDerWaalsContact C-N 3.34Å; G261-R263 PolarHBondContact O-N 2.96Å; G261-F264 PolarHBondContact O-N 3.42Å; G261-L265 VanDerWaalsContact O-CB 3.29Å; G261-L265 WeakPolarHBondContact O-CB 3.33Å; G261-L265 PolarHBondContact O-N 2.76Å
262	T	95.7	Very high	95.7	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.086	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-43.3	177.6	47.9	0	0	0	0	111.6	G259 Q266 I293 V296 V297 F433	G259-T262 PolarHBondContact O-OG1 2.82Å; T262-Q266 WeakPolarHBondContact O-CB 3.45Å; T262-Q266 PolarHBondContact O-N 3.44Å; T262-I293 HydrophobicContact CG2-CB 3.89Å; T262-I293 HydrophobicContact CG2-CG2 4.03Å; T262-V296 HydrophobicContact CG2-CG1 4.37Å; T262-V297 HydrophobicContact CG2-CG2 4.17Å; T262-V297 VanDerWaalsContact O-CG2 3.22Å; T262-V297 WeakPolarHBondContact O-CG2 3.45Å; T262-F433 HydrophobicContact CG2-CZ 4.33Å
263	R	96	Very high	95.7	Very high	46 Å²	46	29.7 Å²	29.7	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-44.2	179.6	-176.8	56.8	-175.3	-108.4	6.6	111.7	Y156 G259 H260 G261 Q266 E267 L434 P435	Y156-R263 VanDerWaalsContact CB-CZ 3.46Å; Y156-R263 HydrophobicContact CD1-CG 3.52Å; Y156-R263 HydrophobicContact CD2-CG 3.99Å; Y156-R263 HydrophobicContact CE1-CB 4.34Å; Y156-R263 HydrophobicContact CE1-CG 3.54Å; Y156-R263 HydrophobicContact CE2-CB 4.46Å; Y156-R263 HydrophobicContact CE2-CG 4.01Å; Y156-R263 HydrophobicContact CG-CG 3.75Å; G259-R263 PolarHBondContact O-N 2.82Å; H260-R263 PolarHBondContact O-N 3Å; G261-R263 PolarHBondContact O-N 2.96Å; R263-Q266 PolarHBondContact O-N 2.84Å; R263-E267 IonicContact CZ-OE1 3.57Å; R263-E267 IonicContact NE-OE1 2.74Å; R263-E267 PolarHBondContact NE-OE1 3.05Å; R263-E267 IonicContact NH2-OE1 3.35Å; R263-E267 PolarHBondContact NH2-OE1 3.4Å; R263-E267 WeakPolarHBondContact O-CG 3.23Å; R263-E267 PolarHBondContact O-N 2.89Å; R263-E267 VanDerWaalsContact O-N 3.12Å; R263-L434 HydrophobicContact CB-CD2 4.41Å; R263-P435 VanDerWaalsContact CZ-CG 3.49Å
264	F	98.1	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-47.5	179.3	-177.9	-146.7	0	0	0	111.6	V169 Y210 L212 C230 F249 I251 H260 G261 Q266 E267 I268	V169-F264 HydrophobicContact CG1-CD2 3.93Å; V169-F264 HydrophobicContact CG1-CE2 3.68Å; V169-F264 HydrophobicContact CG2-CD2 4.02Å; V169-F264 HydrophobicContact CG2-CE2 4.49Å; Y210-F264 WeakPolarHBondContact O-CZ 3.41Å; L212-F264 HydrophobicContact CB-CD1 4.25Å; L212-F264 HydrophobicContact CB-CD2 4.02Å; L212-F264 HydrophobicContact CB-CE1 4.27Å; L212-F264 HydrophobicContact CB-CE2 4.05Å; L212-F264 HydrophobicContact CB-CG 4.12Å; L212-F264 HydrophobicContact CB-CZ 4.16Å; L212-F264 HydrophobicContact CD2-CB 4.24Å; L212-F264 HydrophobicContact CD2-CG 4.38Å; C230-F264 HydrophobicContact CB-CE1 4.17Å; C230-F264 HydrophobicContact CB-CZ 4.1Å; F249-F264 AromaticContact CE2-CD1 3.69Å; F249-F264 HydrophobicContact CE2-CD1 3.69Å; F249-F264 HydrophobicContact CE2-CE1 4.09Å; F249-F264 HydrophobicContact CE2-CG 4.39Å; F249-F264 AromaticContact CZ-CD1 3.83Å; F249-F264 HydrophobicContact CZ-CD1 3.83Å; I251-F264 HydrophobicContact CD1-CB 4.48Å; I251-F264 HydrophobicContact CD1-CD1 3.77Å; I251-F264 HydrophobicContact CD1-CE1 4.48Å; H260-F264 WeakPolarHBondContact O-CB 3.41Å; H260-F264 PolarHBondContact O-N 3.19Å; G261-F264 PolarHBondContact O-N 3.42Å; F264-Q266 VanDerWaalsContact C-N 3.33Å; F264-Q266 PolarHBondContact O-N 3.15Å; F264-E267 PolarHBondContact O-N 3.2Å; F264-I268 HydrophobicContact CD1-CD1 4.24Å; F264-I268 HydrophobicContact CD2-CD1 3.82Å; F264-I268 HydrophobicContact CD2-CG1 4.12Å; F264-I268 HydrophobicContact CE1-CD1 4.06Å; F264-I268 HydrophobicContact CE2-CD1 3.6Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CG-CD1 4.14Å; F264-I268 HydrophobicContact CZ-CD1 3.74Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.3Å; F264-I268 PolarHBondContact O-N 2.76Å; F264-I268 VanDerWaalsContact O-N 3.08Å
265	L	98.1	Very high	95.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-42.2	176.6	-177.9	59.3	0	0	0	111.8	I246 F249 G261 E267 I268 L269 F290 I293 Y294 V297	I246-L265 HydrophobicContact CD1-CD1 3.86Å; F249-L265 HydrophobicContact CE2-CB 3.98Å; F249-L265 HydrophobicContact CE2-CD1 4.2Å; F249-L265 HydrophobicContact CZ-CB 4.01Å; G261-L265 VanDerWaalsContact O-CB 3.29Å; G261-L265 WeakPolarHBondContact O-CB 3.33Å; G261-L265 PolarHBondContact O-N 2.76Å; L265-E267 PolarHBondContact O-N 3.38Å; L265-I268 PolarHBondContact O-N 3.16Å; L265-L269 HydrophobicContact CD1-CD1 4.19Å; L265-L269 HydrophobicContact CD1-CG 4.15Å; L265-L269 HydrophobicContact CG-CD1 3.96Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 2.91Å; L265-F290 HydrophobicContact CD1-CE2 4.35Å; L265-F290 HydrophobicContact CD1-CZ 4.04Å; L265-F290 HydrophobicContact CD2-CE2 4.24Å; L265-F290 HydrophobicContact CD2-CZ 4.04Å; L265-I293 HydrophobicContact CD2-CD1 4.32Å; L265-I293 HydrophobicContact CD2-CG1 4.22Å; L265-Y294 HydrophobicContact CD2-CD2 3.88Å; L265-Y294 HydrophobicContact CD2-CG 4.02Å; L265-V297 HydrophobicContact CB-CG2 4.49Å; L265-V297 HydrophobicContact CD2-CG2 4.43Å
266	Q	97.2	Very high	95.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-49.5	175.8	-168.7	-167.9	27.8	0	0	111.4	T262 R263 F264 I268 L269 M270 V297 N301 L434 P435	T262-Q266 WeakPolarHBondContact O-CB 3.45Å; T262-Q266 PolarHBondContact O-N 3.44Å; R263-Q266 PolarHBondContact O-N 2.84Å; F264-Q266 VanDerWaalsContact C-N 3.33Å; F264-Q266 PolarHBondContact O-N 3.15Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 2.85Å; Q266-L269 PolarHBondContact O-N 3.42Å; Q266-M270 HydrophobicContact CG-CG 4.34Å; Q266-M270 VanDerWaalsContact O-CG 3.24Å; Q266-M270 WeakPolarHBondContact O-CG 3.48Å; Q266-M270 PolarHBondContact O-N 2.86Å; Q266-V297 HydrophobicContact CB-CG1 3.8Å; Q266-V297 HydrophobicContact CG-CG1 4.12Å; Q266-N301 PolarHBondContact NE2-OD1 2.8Å; Q266-L434 HydrophobicContact CB-CD1 4.21Å; Q266-L434 HydrophobicContact CG-CD1 4.27Å; Q266-P435 PolarHBondContact NE2-O 3.44Å
267	E	97.6	Very high	95.9	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-37.5	-179.3	-61.4	-65.6	167.3	0	0	112.3	A154 V169 R263 F264 L265 M270 D271 K438	A154-E267 HydrophobicContact CB-CB 3.96Å; A154-E267 VanDerWaalsContact CB-CD 3.41Å; A154-E267 HydrophobicContact CB-CG 3.65Å; A154-E267 WeakPolarHBondContact CB-OE2 3.47Å; V169-E267 HydrophobicContact CG2-CB 4.33Å; V169-E267 HydrophobicContact CG2-CG 4.4Å; R263-E267 IonicContact CZ-OE1 3.57Å; R263-E267 IonicContact NE-OE1 2.74Å; R263-E267 PolarHBondContact NE-OE1 3.05Å; R263-E267 IonicContact NH2-OE1 3.35Å; R263-E267 PolarHBondContact NH2-OE1 3.4Å; R263-E267 WeakPolarHBondContact O-CG 3.23Å; R263-E267 PolarHBondContact O-N 2.89Å; R263-E267 VanDerWaalsContact O-N 3.12Å; F264-E267 PolarHBondContact O-N 3.2Å; L265-E267 PolarHBondContact O-N 3.38Å; E267-M270 PolarHBondContact O-N 2.93Å; E267-D271 WeakPolarHBondContact O-CB 3.12Å; E267-D271 PolarHBondContact O-N 3.07Å; E267-K438 WeakPolarHBondContact OE2-CE 3.4Å; E267-K438 IonicContact OE2-NZ 3.44Å; E267-K438 PolarHBondContact OE2-NZ 3.12Å
268	I	98.1	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-50.7	174.2	-65.2	164.1	0	0	0	110.4	Y210 C230 F249 F264 L265 Q266 M270 D271 L272	Y210-I268 HydrophobicContact CD1-CB 4.41Å; Y210-I268 HydrophobicContact CD1-CG1 3.75Å; Y210-I268 HydrophobicContact CD1-CG2 4.42Å; Y210-I268 HydrophobicContact CD2-CG1 4.23Å; Y210-I268 HydrophobicContact CD2-CG2 4.03Å; Y210-I268 HydrophobicContact CE1-CG1 4.32Å; Y210-I268 HydrophobicContact CE1-CG2 4.29Å; Y210-I268 HydrophobicContact CE2-CG2 3.96Å; Y210-I268 HydrophobicContact CG-CB 4.5Å; Y210-I268 HydrophobicContact CG-CD1 4.23Å; Y210-I268 HydrophobicContact CG-CG1 3.67Å; Y210-I268 HydrophobicContact CG-CG2 4.27Å; C230-I268 HydrophobicContact CB-CD1 3.56Å; F249-I268 HydrophobicContact CD2-CD1 4.41Å; F249-I268 HydrophobicContact CE2-CD1 4.04Å; F264-I268 HydrophobicContact CD1-CD1 4.24Å; F264-I268 HydrophobicContact CD2-CD1 3.82Å; F264-I268 HydrophobicContact CD2-CG1 4.12Å; F264-I268 HydrophobicContact CE1-CD1 4.06Å; F264-I268 HydrophobicContact CE2-CD1 3.6Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CG-CD1 4.14Å; F264-I268 HydrophobicContact CZ-CD1 3.74Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.3Å; F264-I268 PolarHBondContact O-N 2.76Å; F264-I268 VanDerWaalsContact O-N 3.08Å; L265-I268 PolarHBondContact O-N 3.16Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 2.85Å; I268-M270 VanDerWaalsContact C-N 3.3Å; I268-M270 PolarHBondContact O-N 3.33Å; I268-D271 PolarHBondContact O-N 3.16Å; I268-L272 HydrophobicContact CG2-CD1 3.96Å; I268-L272 HydrophobicContact CG2-CG 4.46Å; I268-L272 WeakPolarHBondContact O-CG 3.23Å; I268-L272 PolarHBondContact O-N 2.84Å
269	L	97.7	Very high	96.3	Very high	11 Å²	11	31 Å²	31	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-38.7	-179.1	-67.5	170.1	0	0	0	111.7	L265 Q266 L272 A273 V281 Y294 V297	L265-L269 HydrophobicContact CD1-CD1 4.19Å; L265-L269 HydrophobicContact CD1-CG 4.15Å; L265-L269 HydrophobicContact CG-CD1 3.96Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 2.91Å; Q266-L269 PolarHBondContact O-N 3.42Å; L269-L272 PolarHBondContact O-N 3.18Å; L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 2.8Å; L269-V281 HydrophobicContact CD2-CB 4.34Å; L269-V281 HydrophobicContact CD2-CG1 4.17Å; L269-V281 HydrophobicContact CD2-CG2 4.39Å; L269-Y294 HydrophobicContact CD1-CD2 4Å; L269-Y294 HydrophobicContact CD1-CE2 3.5Å; L269-Y294 HydrophobicContact CD2-CE2 3.95Å; L269-Y294 HydrophobicContact CG-CE2 4.35Å; L269-V297 HydrophobicContact CD1-CG1 3.88Å
270	M	96.5	Very high	96.4	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-37.8	178	-66.3	-49.4	95.9	0	0	112.3	Q266 E267 I268 S274 N301 F329 P437 V439	Q266-M270 HydrophobicContact CG-CG 4.34Å; Q266-M270 VanDerWaalsContact O-CG 3.24Å; Q266-M270 WeakPolarHBondContact O-CG 3.48Å; Q266-M270 PolarHBondContact O-N 2.86Å; E267-M270 PolarHBondContact O-N 2.93Å; I268-M270 VanDerWaalsContact C-N 3.3Å; I268-M270 PolarHBondContact O-N 3.33Å; M270-S274 WeakPolarHBondContact O-CB 3.09Å; M270-S274 PolarHBondContact O-N 2.67Å; M270-S274 VanDerWaalsContact O-N 3.07Å; M270-N301 WeakPolarHBondContact CE-ND2 3.49Å; M270-F329 HydrophobicContact CE-CD1 3.75Å; M270-F329 HydrophobicContact CE-CE1 4.2Å; M270-F329 HydrophobicContact SD-CD1 4.03Å; M270-F329 HydrophobicContact SD-CE1 4.03Å; M270-P437 HydrophobicContact SD-CB 3.55Å; M270-P437 VanDerWaalsContact SD-CB 3.55Å; M270-P437 HydrophobicContact SD-CG 4.21Å; M270-V439 HydrophobicContact SD-CG2 3.8Å
271	D	97.2	Very high	96.4	Very high	32 Å²	32	30.2 Å²	30.2	17%	0.171	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-48	174	-173.3	85	0	0	0	111.1	I153 Y210 E267 I268 A273 S274 R275	I153-D271 HydrophobicContact CD1-CB 3.85Å; I153-D271 WeakPolarHBondContact CG2-OD1 3.2Å; Y210-D271 HydrophobicContact CE1-CB 4.18Å; Y210-D271 PolarHBondContact OH-OD2 3.33Å; Y210-D271 VanDerWaalsContact OH-OD2 3.08Å; E267-D271 WeakPolarHBondContact O-CB 3.12Å; E267-D271 PolarHBondContact O-N 3.07Å; I268-D271 PolarHBondContact O-N 3.16Å; D271-A273 PolarHBondContact O-N 3.28Å; D271-S274 PolarHBondContact O-N 2.67Å; D271-S274 PolarHBondContact O-OG 2.83Å; D271-R275 IonicContact OD2-CZ 3.41Å; D271-R275 VanDerWaalsContact OD2-CZ 3.27Å; D271-R275 IonicContact OD2-NE 2.86Å; D271-R275 PolarHBondContact OD2-NE 2.76Å; D271-R275 IonicContact OD2-NH2 2.75Å; D271-R275 PolarHBondContact OD2-NH2 2.79Å
272	L	96.9	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-43.4	175.4	-68.1	174.4	0	0	0	112.1	Y210 P244 I268 L269 S274 R275 V278 V281	Y210-L272 WeakPolarHBondContact OH-CD2 3.49Å; P244-L272 HydrophobicContact CB-CD1 4.23Å; P244-L272 HydrophobicContact CB-CD2 4.19Å; P244-L272 HydrophobicContact CG-CD2 4.08Å; I268-L272 HydrophobicContact CG2-CD1 3.96Å; I268-L272 HydrophobicContact CG2-CG 4.46Å; I268-L272 WeakPolarHBondContact O-CG 3.23Å; I268-L272 PolarHBondContact O-N 2.84Å; L269-L272 PolarHBondContact O-N 3.18Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.89Å; L272-R275 WeakPolarHBondContact O-CB 3.43Å; L272-R275 PolarHBondContact O-N 2.78Å; L272-R275 VanDerWaalsContact O-N 3.17Å; L272-V278 WeakPolarHBondContact O-CB 3.49Å; L272-V278 WeakPolarHBondContact O-CG2 3.48Å; L272-V281 HydrophobicContact CB-CG2 4.04Å; L272-V281 HydrophobicContact CD1-CG1 4.14Å; L272-V281 HydrophobicContact CD1-CG2 3.69Å; L272-V281 HydrophobicContact CG-CG2 4.5Å
273	A	96.1	Very high	96.4	Very high	9 Å²	9	30.3 Å²	30.3	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-29	-179.8	0	0	0	0	0	113.4	L269 D271 R275 K330 V439	L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 2.8Å; D271-A273 PolarHBondContact O-N 3.28Å; A273-R275 PolarHBondContact O-N 2.97Å; A273-K330 HydrophobicContact CB-CG 4.09Å; A273-V439 HydrophobicContact CB-CG1 4.38Å
274	S	95.9	Very high	96.3	Very high	76 Å²	76	32.2 Å²	32.2	53%	0.531	16%	0.161	S	C	.	.	H	α-helix	trans	-67.5	-19.2	176.7	79.1	0	0	0	0	113.5	M270 D271 L272	M270-S274 WeakPolarHBondContact O-CB 3.09Å; M270-S274 PolarHBondContact O-N 2.67Å; M270-S274 VanDerWaalsContact O-N 3.07Å; D271-S274 PolarHBondContact O-N 2.67Å; D271-S274 PolarHBondContact O-OG 2.83Å; L272-S274 VanDerWaalsContact C-N 3.27Å; L272-S274 PolarHBondContact O-N 2.89Å
275	R	95.3	Very high	96	Very high	61 Å²	61	37.8 Å²	37.8	23%	0.23	20%	0.2	C	C	.	.			trans	-87.3	122.9	-175.9	-59.3	171	-171.1	-167.9	-1.6	110.5	E208 Y210 D271 L272 A273 S277 V278	E208-R275 VanDerWaalsContact CD-NH1 3.25Å; E208-R275 IonicContact OE1-CZ 2.67Å; E208-R275 IonicContact OE1-NH1 3.44Å; E208-R275 PolarHBondContact OE1-NH1 3.12Å; E208-R275 IonicContact OE1-NH2 2.9Å; E208-R275 PolarHBondContact OE1-NH2 2.79Å; E208-R275 IonicContact OE2-CZ 3.4Å; E208-R275 IonicContact OE2-NH1 2.77Å; E208-R275 PolarHBondContact OE2-NH1 3.08Å; Y210-R275 PolarHBondContact OH-NH2 2.88Å; Y210-R275 VanDerWaalsContact OH-NH2 3.1Å; D271-R275 IonicContact OD2-CZ 3.41Å; D271-R275 VanDerWaalsContact OD2-CZ 3.27Å; D271-R275 IonicContact OD2-NE 2.86Å; D271-R275 PolarHBondContact OD2-NE 2.76Å; D271-R275 IonicContact OD2-NH2 2.75Å; D271-R275 PolarHBondContact OD2-NH2 2.79Å; L272-R275 WeakPolarHBondContact O-CB 3.43Å; L272-R275 PolarHBondContact O-N 2.78Å; L272-R275 VanDerWaalsContact O-N 3.17Å; A273-R275 PolarHBondContact O-N 2.97Å; R275-S277 PolarHBondContact O-N 2.84Å; R275-V278 HydrophobicContact CB-CB 4.42Å; R275-V278 HydrophobicContact CB-CG2 3.79Å; R275-V278 PolarHBondContact O-N 3.02Å; R275-V278 VanDerWaalsContact O-N 3.14Å
276	K	94.1	Very high	95.7	Very high	193 Å²	193	39.3 Å²	39.3	84%	0.839	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.4	178.9	-64.1	-177.3	-179.4	179.7	0	114	V278	K276-V278 VanDerWaalsContact C-N 3.29Å
277	S	95.5	Very high	95.5	Very high	56 Å²	56	43.9 Å²	43.9	39%	0.392	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-16	177	53	0	0	0	0	113	Y241 V242 R275	Y241-S277 CarbonylContact C-O 3.47Å; Y241-S277 VanDerWaalsContact CA-O 3.27Å; Y241-S277 WeakPolarHBondContact CA-O 2.98Å; V242-S277 PolarHBondContact N-O 2.96Å; R275-S277 PolarHBondContact O-N 2.84Å
278	V	96.7	Very high	95.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-81.6	125.2	-179.3	173	0	0	0	0	109.8	V242 P244 L272 R275 K276 V281 K330	V242-V278 HydrophobicContact CG2-CG2 3.85Å; P244-V278 HydrophobicContact CG-CB 4.49Å; P244-V278 HydrophobicContact CG-CG1 3.91Å; P244-V278 HydrophobicContact CG-CG2 3.86Å; L272-V278 WeakPolarHBondContact O-CB 3.49Å; L272-V278 WeakPolarHBondContact O-CG2 3.48Å; R275-V278 HydrophobicContact CB-CB 4.42Å; R275-V278 HydrophobicContact CB-CG2 3.79Å; R275-V278 PolarHBondContact O-N 3.02Å; R275-V278 VanDerWaalsContact O-N 3.14Å; K276-V278 VanDerWaalsContact C-N 3.29Å; V278-V281 HydrophobicContact CG1-CG2 4.43Å; V278-K330 HydrophobicContact CG1-CB 4.24Å; V278-K330 HydrophobicContact CG1-CG 4.23Å
279	W	95	Very high	94.9	Very high	87 Å²	87	49.9 Å²	49.9	33%	0.33	29%	0.286	S	S	.	.			trans	-81	-67.6	174.8	-174.1	-113.9	0	0	0	111.1	Y241 V242 F326	Y241-W279 HydrophobicContact CD1-CE3 4.15Å; Y241-W279 HydrophobicContact CD2-CE3 4.13Å; Y241-W279 HydrophobicContact CE1-CE3 4.19Å; Y241-W279 HydrophobicContact CE2-CE3 4.16Å; Y241-W279 HydrophobicContact CE2-CZ3 4.19Å; Y241-W279 HydrophobicContact CG-CB 4.47Å; Y241-W279 HydrophobicContact CG-CE3 4.13Å; V242-W279 PolarHBondContact O-N 2.83Å; W279-F326 HydrophobicContact CD2-CE2 4.4Å; W279-F326 AromaticContact CD2-CZ 3.78Å; W279-F326 HydrophobicContact CD2-CZ 3.78Å; W279-F326 AromaticContact CE2-CZ 3.65Å; W279-F326 AromaticContact CE3-CZ 4Å; W279-F326 HydrophobicContact CE3-CZ 4Å; W279-F326 HydrophobicContact CG-CZ 4.42Å; W279-F326 HydrophobicContact CH2-CE1 4.37Å; W279-F326 AromaticContact CH2-CZ 3.95Å; W279-F326 HydrophobicContact CH2-CZ 3.95Å; W279-F326 HydrophobicContact CZ2-CE2 4.43Å; W279-F326 AromaticContact CZ2-CZ 3.74Å; W279-F326 HydrophobicContact CZ2-CZ 3.74Å; W279-F326 HydrophobicContact CZ3-CE1 4.49Å; W279-F326 HydrophobicContact CZ3-CZ 4.08Å; W279-F326 WeakPolarHBondContact O-CE2 3.35Å
280	H	93.9	Very high	94.8	Very high	13 Å²	13	50 Å²	50	6%	0.06	29%	0.286	C	S	.	.			trans	-153.7	162.2	167.6	64	-103.6	0	0	0	110.7	K243 P244 F326 K330	K243-H280 WeakPolarHBondContact CE-NE2 3.46Å; K243-H280 PolarHBondContact NZ-NE2 2.65Å; K243-H280 VanDerWaalsContact NZ-NE2 3.11Å; P244-H280 WeakPolarHBondContact CD-O 3.13Å; H280-F326 HydrophobicContact CB-CE2 4.37Å; H280-K330 WeakPolarHBondContact CA-O 3.49Å; H280-K330 WeakPolarHBondContact CB-O 3.42Å
281	V	95.9	Very high	94.7	Very high	4 Å²	4	50 Å²	50	2%	0.024	29%	0.286	C	S	.	.			trans	-96	135.9	179.7	-175.1	0	0	0	0	110.3	P244 I246 L269 L272 V278 K330	P244-V281 CarbonylContact O-C 3.51Å; P244-V281 WeakPolarHBondContact O-CA 3.08Å; I246-V281 HydrophobicContact CD1-CG1 4.11Å; I246-V281 HydrophobicContact CG1-CG1 4.15Å; L269-V281 HydrophobicContact CD2-CB 4.34Å; L269-V281 HydrophobicContact CD2-CG1 4.17Å; L269-V281 HydrophobicContact CD2-CG2 4.39Å; L272-V281 HydrophobicContact CB-CG2 4.04Å; L272-V281 HydrophobicContact CD1-CG1 4.14Å; L272-V281 HydrophobicContact CD1-CG2 3.69Å; L272-V281 HydrophobicContact CG-CG2 4.5Å; V278-V281 HydrophobicContact CG1-CG2 4.43Å; V281-K330 PolarHBondContact N-O 3.35Å
282	T	96.2	Very high	94.5	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	172.5	171.8	61.6	0	0	0	0	111.5	K243 P244 R245 I246	K243-T282 HydrophobicContact CD-CG2 4.41Å; K243-T282 HydrophobicContact CG-CG2 4.31Å; P244-T282 PolarHBondContact O-N 3.08Å; R245-T282 CarbonylContact C-O 3.52Å; R245-T282 WeakPolarHBondContact CA-O 3.14Å; R245-T282 WeakPolarHBondContact CB-OG1 3.38Å; I246-T282 PolarHBondContact N-O 3.24Å
283	V	96.2	Very high	94.4	Very high	15 Å²	15	55.7 Å²	55.7	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.3	-179.9	-170.6	0	0	0	0	110.2	I246 P286 F290 Y294	I246-V283 HydrophobicContact CB-CG1 4.23Å; I246-V283 HydrophobicContact CB-CG2 4.24Å; I246-V283 HydrophobicContact CD1-CG2 4.37Å; I246-V283 HydrophobicContact CG2-CG1 4.27Å; V283-P286 HydrophobicContact CB-CB 4.36Å; V283-P286 HydrophobicContact CB-CG 4.32Å; V283-P286 HydrophobicContact CG1-CB 3.78Å; V283-P286 HydrophobicContact CG1-CG 4.23Å; V283-F290 HydrophobicContact CB-CE1 4.32Å; V283-F290 HydrophobicContact CG1-CD1 4.1Å; V283-F290 HydrophobicContact CG1-CE1 3.66Å; V283-F290 HydrophobicContact CG1-CZ 4.21Å; V283-F290 HydrophobicContact CG2-CE1 3.84Å; V283-F290 HydrophobicContact CG2-CZ 4.33Å; V283-Y294 HydrophobicContact CG2-CD1 3.94Å; V283-Y294 HydrophobicContact CG2-CE1 3.4Å
284	E	94.8	Very high	94.4	Very high	87 Å²	87	55.6 Å²	55.6	41%	0.407	31%	0.305	S	S	.	.	S	Bend	trans	-80.3	118.3	175.8	-172.4	168	175.2	0	0	110.6	R245 I246 A247	R245-E284 HydrophobicContact CG-CB 4.06Å; R245-E284 IonicContact CZ-OE2 3.57Å; R245-E284 IonicContact NH1-OE1 2.79Å; R245-E284 IonicContact NH1-OE2 2.74Å; R245-E284 PolarHBondContact NH1-OE2 3.46Å; I246-E284 PolarHBondContact O-N 2.67Å; A247-E284 WeakPolarHBondContact CB-OE2 3.17Å
285	S	90.4	Very high	94.4	Very high	116 Å²	116	52 Å²	52	81%	0.811	28%	0.28	S	S	*	.	S	Bend	trans	42.7	54.1	171.1	-58.8	0	0	0	0	114.4	N287	S285-N287 PolarHBondContact O-N 3.17Å
286	P	93.3	Very high	94.4	Very high	32 Å²	32	49.3 Å²	49.3	21%	0.208	27%	0.271	C	S	.	.			trans	-66.2	135.5	-174.1	28	-34.6	0	0	0	111.8	V283 F290 D392	V283-P286 HydrophobicContact CB-CB 4.36Å; V283-P286 HydrophobicContact CB-CG 4.32Å; V283-P286 HydrophobicContact CG1-CB 3.78Å; V283-P286 HydrophobicContact CG1-CG 4.23Å; P286-F290 HydrophobicContact CB-CD1 3.76Å; P286-F290 HydrophobicContact CB-CE1 4.49Å; P286-D392 WeakPolarHBondContact CG-O 3.45Å
287	N	91.5	Very high	94.5	Very high	98 Å²	98	40.1 Å²	40.1	52%	0.524	23%	0.231	S	C	.	.			trans	-81.6	165.7	172.4	69.2	45.1	0	0	0	111.8	S285 A289 F290 C291	S285-N287 PolarHBondContact O-N 3.17Å; N287-A289 VanDerWaalsContact C-N 3.25Å; N287-A289 PolarHBondContact O-N 3.06Å; N287-A289 WeakPolarHBondContact OD1-CB 3.39Å; N287-A289 PolarHBondContact OD1-N 2.8Å; N287-A289 VanDerWaalsContact OD1-N 3.1Å; N287-F290 PolarHBondContact O-N 3.1Å; N287-F290 VanDerWaalsContact O-N 3.1Å; N287-F290 PolarHBondContact OD1-N 2.68Å; N287-C291 PolarHBondContact O-N 2.87Å; N287-C291 PolarHBondContact O-SG 3.14Å; N287-C291 VanDerWaalsContact O-SG 3.42Å
288	A	91.4	Very high	94.5	Very high	69 Å²	69	37.6 Å²	37.6	57%	0.57	21%	0.213	S	C	*	.	H	α-helix	trans	-58.6	-32.5	-176.7	0	0	0	0	0	114.2	R292	A288-R292 WeakPolarHBondContact O-CB 3.33Å; A288-R292 PolarHBondContact O-N 2.97Å; A288-R292 VanDerWaalsContact O-N 3.11Å
289	A	92.1	Very high	94.5	Very high	66 Å²	66	37.5 Å²	37.5	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-70.6	-42	177.7	0	0	0	0	0	111.4	N287 R292 I293	N287-A289 VanDerWaalsContact C-N 3.25Å; N287-A289 PolarHBondContact O-N 3.06Å; N287-A289 WeakPolarHBondContact OD1-CB 3.39Å; N287-A289 PolarHBondContact OD1-N 2.8Å; N287-A289 VanDerWaalsContact OD1-N 3.1Å; A289-R292 PolarHBondContact O-N 2.74Å; A289-I293 PolarHBondContact O-N 2.8Å
290	F	95.4	Very high	94.5	Very high	14 Å²	14	33.3 Å²	33.3	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-47.6	174	-176.2	-87.4	0	0	0	111.3	I246 F249 L265 V283 P286 N287 R292 I293 Y294	I246-F290 HydrophobicContact CD1-CZ 4.36Å; I246-F290 HydrophobicContact CG2-CZ 4.35Å; F249-F290 HydrophobicContact CB-CD2 3.97Å; F249-F290 HydrophobicContact CB-CE2 3.65Å; F249-F290 AromaticContact CD1-CD2 3.62Å; F249-F290 HydrophobicContact CD1-CD2 3.62Å; F249-F290 AromaticContact CD1-CE2 3.6Å; F249-F290 HydrophobicContact CD1-CE2 3.6Å; F249-F290 AromaticContact CD2-CE2 3.87Å; F249-F290 HydrophobicContact CD2-CE2 3.87Å; F249-F290 HydrophobicContact CE1-CD2 4.28Å; F249-F290 HydrophobicContact CE1-CE2 4.18Å; F249-F290 HydrophobicContact CE2-CE2 4.41Å; F249-F290 AromaticContact CG-CD2 3.86Å; F249-F290 HydrophobicContact CG-CD2 3.86Å; F249-F290 AromaticContact CG-CE2 3.43Å; F249-F290 HydrophobicContact CG-CE2 3.43Å; F249-F290 VanDerWaalsContact CG-CE2 3.43Å; L265-F290 HydrophobicContact CD1-CE2 4.35Å; L265-F290 HydrophobicContact CD1-CZ 4.04Å; L265-F290 HydrophobicContact CD2-CE2 4.24Å; L265-F290 HydrophobicContact CD2-CZ 4.04Å; V283-F290 HydrophobicContact CB-CE1 4.32Å; V283-F290 HydrophobicContact CG1-CD1 4.1Å; V283-F290 HydrophobicContact CG1-CE1 3.66Å; V283-F290 HydrophobicContact CG1-CZ 4.21Å; V283-F290 HydrophobicContact CG2-CE1 3.84Å; V283-F290 HydrophobicContact CG2-CZ 4.33Å; P286-F290 HydrophobicContact CB-CD1 3.76Å; P286-F290 HydrophobicContact CB-CE1 4.49Å; N287-F290 PolarHBondContact O-N 3.1Å; N287-F290 VanDerWaalsContact O-N 3.1Å; N287-F290 PolarHBondContact OD1-N 2.68Å; F290-R292 PolarHBondContact O-N 3.41Å; F290-I293 HydrophobicContact CD2-CD1 4.09Å; F290-I293 HydrophobicContact CD2-CG1 4.42Å; F290-I293 HydrophobicContact CE2-CD1 4.41Å; F290-I293 WeakPolarHBondContact O-CG1 3.46Å; F290-I293 PolarHBondContact O-N 3.12Å; F290-I293 VanDerWaalsContact O-N 3.15Å; F290-Y294 HydrophobicContact CD1-CD1 4.48Å; F290-Y294 AromaticContact CE1-CD1 3.63Å; F290-Y294 HydrophobicContact CE1-CD1 3.63Å; F290-Y294 HydrophobicContact CE1-CE1 4.39Å; F290-Y294 HydrophobicContact CE1-CG 4.08Å; F290-Y294 HydrophobicContact CZ-CD1 4.34Å; F290-Y294 WeakPolarHBondContact O-CB 3.25Å; F290-Y294 PolarHBondContact O-N 3.48Å
291	C	94.9	Very high	94.6	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-42.5	177.1	-69.2	0	0	0	0	111.8	N287 Y294 D295	N287-C291 PolarHBondContact O-N 2.87Å; N287-C291 PolarHBondContact O-SG 3.14Å; N287-C291 VanDerWaalsContact O-SG 3.42Å; C291-Y294 PolarHBondContact O-N 2.86Å; C291-D295 WeakPolarHBondContact O-CB 3.5Å; C291-D295 PolarHBondContact O-N 3.26Å
292	R	93.4	Very high	94.6	Very high	112 Å²	112	32.6 Å²	32.6	42%	0.423	19%	0.193	S	C	.	.	H	α-helix	trans	-60.9	-48	177.9	-172.5	-177.3	-58.2	-124.6	-4.4	112.4	A288 A289 F290 Y294 V296 V423	A288-R292 WeakPolarHBondContact O-CB 3.33Å; A288-R292 PolarHBondContact O-N 2.97Å; A288-R292 VanDerWaalsContact O-N 3.11Å; A289-R292 PolarHBondContact O-N 2.74Å; F290-R292 PolarHBondContact O-N 3.41Å; R292-Y294 VanDerWaalsContact C-N 3.28Å; R292-Y294 PolarHBondContact O-N 3.45Å; R292-V296 WeakPolarHBondContact O-CB 3.42Å; R292-V296 WeakPolarHBondContact O-CG2 3.35Å; R292-V296 PolarHBondContact O-N 2.94Å; R292-V296 VanDerWaalsContact O-N 3.08Å; R292-V423 HydrophobicContact CG-CG2 4.25Å
293	I	94.6	Very high	94.6	Very high	41 Å²	41	32.4 Å²	32.4	21%	0.21	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-34.4	178.5	63.3	168	0	0	0	111.2	F249 T262 L265 A289 F290 V296 V297	F249-I293 HydrophobicContact CD1-CD1 4.35Å; F249-I293 HydrophobicContact CE1-CD1 3.62Å; F249-I293 HydrophobicContact CZ-CD1 4.12Å; T262-I293 HydrophobicContact CG2-CB 3.89Å; T262-I293 HydrophobicContact CG2-CG2 4.03Å; L265-I293 HydrophobicContact CD2-CD1 4.32Å; L265-I293 HydrophobicContact CD2-CG1 4.22Å; A289-I293 PolarHBondContact O-N 2.8Å; F290-I293 HydrophobicContact CD2-CD1 4.09Å; F290-I293 HydrophobicContact CD2-CG1 4.42Å; F290-I293 HydrophobicContact CE2-CD1 4.41Å; F290-I293 WeakPolarHBondContact O-CG1 3.46Å; F290-I293 PolarHBondContact O-N 3.12Å; F290-I293 VanDerWaalsContact O-N 3.15Å; I293-V296 PolarHBondContact O-N 3.44Å; I293-V297 WeakPolarHBondContact O-CB 2.87Å; I293-V297 WeakPolarHBondContact O-CG2 3.46Å; I293-V297 PolarHBondContact O-N 2.89Å
294	Y	96.3	Very high	94.5	Very high	6 Å²	6	34.1 Å²	34.1	2%	0.024	20%	0.197	C	C	.	.	H	α-helix	trans	-68	-47.7	179.9	-164.3	-175	0	0	0	111.3	L265 L269 V283 F290 C291 R292 V296 V297 E298	L265-Y294 HydrophobicContact CD2-CD2 3.88Å; L265-Y294 HydrophobicContact CD2-CG 4.02Å; L269-Y294 HydrophobicContact CD1-CD2 4Å; L269-Y294 HydrophobicContact CD1-CE2 3.5Å; L269-Y294 HydrophobicContact CD2-CE2 3.95Å; L269-Y294 HydrophobicContact CG-CE2 4.35Å; V283-Y294 HydrophobicContact CG2-CD1 3.94Å; V283-Y294 HydrophobicContact CG2-CE1 3.4Å; F290-Y294 HydrophobicContact CD1-CD1 4.48Å; F290-Y294 AromaticContact CE1-CD1 3.63Å; F290-Y294 HydrophobicContact CE1-CD1 3.63Å; F290-Y294 HydrophobicContact CE1-CE1 4.39Å; F290-Y294 HydrophobicContact CE1-CG 4.08Å; F290-Y294 HydrophobicContact CZ-CD1 4.34Å; F290-Y294 WeakPolarHBondContact O-CB 3.25Å; F290-Y294 PolarHBondContact O-N 3.48Å; C291-Y294 PolarHBondContact O-N 2.86Å; R292-Y294 VanDerWaalsContact C-N 3.28Å; R292-Y294 PolarHBondContact O-N 3.45Å; Y294-V296 VanDerWaalsContact C-N 3.33Å; Y294-V296 PolarHBondContact O-N 2.78Å; Y294-V297 PolarHBondContact O-N 2.88Å; Y294-V297 VanDerWaalsContact O-N 3.17Å; Y294-E298 HydrophobicContact CD2-CG 3.77Å; Y294-E298 HydrophobicContact CE2-CG 3.61Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.45Å; Y294-E298 PolarHBondContact O-N 3.02Å; Y294-E298 PolarHBondContact OH-OE1 3.39Å
295	D	95.6	Very high	94.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-41.2	175.9	-66.1	-23.8	0	0	0	111.9	C291 A299 R335 R338 V423	C291-D295 WeakPolarHBondContact O-CB 3.5Å; C291-D295 PolarHBondContact O-N 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.2Å; D295-A299 PolarHBondContact O-N 2.81Å; D295-R335 IonicContact OD1-CZ 3.27Å; D295-R335 IonicContact OD1-NH1 3.19Å; D295-R335 PolarHBondContact OD1-NH1 3.41Å; D295-R335 IonicContact OD1-NH2 3.24Å; D295-R335 PolarHBondContact OD1-NH2 2.88Å; D295-R338 IonicContact OD1-CZ 3.89Å; D295-R338 IonicContact OD1-NE 2.86Å; D295-R338 PolarHBondContact OD1-NE 3.16Å; D295-R338 IonicContact OD1-NH2 2.87Å; D295-R338 IonicContact OD2-CZ 3.87Å; D295-R338 IonicContact OD2-NE 2.65Å; D295-R338 PolarHBondContact OD2-NE 3.45Å; D295-R338 IonicContact OD2-NH2 2.78Å; D295-R338 PolarHBondContact OD2-NH2 2.84Å; D295-V423 HydrophobicContact CB-CG1 4.31Å; D295-V423 HydrophobicContact CB-CG2 3.64Å
296	V	95	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-46.7	174.6	169	0	0	0	0	110.8	T262 R292 I293 Y294 T300 V423 R426 L427 F433	T262-V296 HydrophobicContact CG2-CG1 4.37Å; R292-V296 WeakPolarHBondContact O-CB 3.42Å; R292-V296 WeakPolarHBondContact O-CG2 3.35Å; R292-V296 PolarHBondContact O-N 2.94Å; R292-V296 VanDerWaalsContact O-N 3.08Å; I293-V296 PolarHBondContact O-N 3.44Å; Y294-V296 VanDerWaalsContact C-N 3.33Å; Y294-V296 PolarHBondContact O-N 2.78Å; V296-T300 VanDerWaalsContact O-CB 3.29Å; V296-T300 WeakPolarHBondContact O-CB 3.28Å; V296-T300 PolarHBondContact O-N 3Å; V296-T300 PolarHBondContact O-OG1 2.6Å; V296-V423 HydrophobicContact CG2-CB 4.12Å; V296-V423 HydrophobicContact CG2-CG1 3.77Å; V296-V423 HydrophobicContact CG2-CG2 4.15Å; V296-R426 HydrophobicContact CG1-CG 4.09Å; V296-R426 HydrophobicContact CG2-CB 4.26Å; V296-R426 HydrophobicContact CG2-CG 4.41Å; V296-L427 HydrophobicContact CG1-CD2 4.42Å; V296-F433 HydrophobicContact CG1-CE1 3.39Å; V296-F433 HydrophobicContact CG1-CZ 3.43Å; V296-F433 VanDerWaalsContact CG1-CZ 3.43Å
297	V	96.3	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-49	-178.7	168.5	0	0	0	0	111	T262 L265 Q266 L269 I293 Y294 T300 N301 L434	T262-V297 HydrophobicContact CG2-CG2 4.17Å; T262-V297 VanDerWaalsContact O-CG2 3.22Å; T262-V297 WeakPolarHBondContact O-CG2 3.45Å; L265-V297 HydrophobicContact CB-CG2 4.49Å; L265-V297 HydrophobicContact CD2-CG2 4.43Å; Q266-V297 HydrophobicContact CB-CG1 3.8Å; Q266-V297 HydrophobicContact CG-CG1 4.12Å; L269-V297 HydrophobicContact CD1-CG1 3.88Å; I293-V297 WeakPolarHBondContact O-CB 2.87Å; I293-V297 WeakPolarHBondContact O-CG2 3.46Å; I293-V297 PolarHBondContact O-N 2.89Å; Y294-V297 PolarHBondContact O-N 2.88Å; Y294-V297 VanDerWaalsContact O-N 3.17Å; V297-T300 PolarHBondContact O-N 3.31Å; V297-N301 WeakPolarHBondContact O-CB 3.32Å; V297-N301 PolarHBondContact O-N 2.74Å; V297-N301 PolarHBondContact O-ND2 2.78Å; V297-L434 HydrophobicContact CB-CD1 4.35Å; V297-L434 HydrophobicContact CG1-CD1 4.4Å; V297-L434 HydrophobicContact CG2-CD1 3.89Å
298	E	96	Very high	95.2	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-44.9	-179.7	-75	-175.9	152.6	0	0	112.3	Y294 T300 N301 C302 M331 R335 A339	Y294-E298 HydrophobicContact CD2-CG 3.77Å; Y294-E298 HydrophobicContact CE2-CG 3.61Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.45Å; Y294-E298 PolarHBondContact O-N 3.02Å; Y294-E298 PolarHBondContact OH-OE1 3.39Å; E298-T300 VanDerWaalsContact C-N 3.29Å; E298-T300 PolarHBondContact O-N 2.85Å; E298-N301 PolarHBondContact O-N 2.87Å; E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 3.41Å; E298-C302 PolarHBondContact O-SG 3.36Å; E298-C302 VanDerWaalsContact O-SG 3.39Å; E298-M331 HydrophobicContact CB-CE 3.82Å; E298-M331 HydrophobicContact CB-SD 4.41Å; E298-M331 HydrophobicContact CG-CE 3.89Å; E298-M331 HydrophobicContact CG-SD 4.22Å; E298-R335 VanDerWaalsContact CD-NE 3.34Å; E298-R335 WeakPolarHBondContact OE1-CB 3.28Å; E298-R335 IonicContact OE1-NE 2.6Å; E298-R335 PolarHBondContact OE1-NE 3.33Å; E298-R335 IonicContact OE2-CZ 2.84Å; E298-R335 IonicContact OE2-NE 3.75Å; E298-R335 PolarHBondContact OE2-NE 2.95Å; E298-R335 IonicContact OE2-NH2 2.7Å; E298-R335 PolarHBondContact OE2-NH2 2.81Å; E298-A339 HydrophobicContact CB-CB 4.46Å
299	A	96	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-42.6	174.8	0	0	0	0	0	111.3	D295 N301 C302 S303 A342 L343 L427	D295-A299 WeakPolarHBondContact O-CB 3.2Å; D295-A299 PolarHBondContact O-N 2.81Å; A299-N301 PolarHBondContact O-N 2.8Å; A299-C302 PolarHBondContact O-N 2.8Å; A299-S303 PolarHBondContact O-N 3.14Å; A299-A342 HydrophobicContact CB-CB 4.1Å; A299-L343 HydrophobicContact CB-CD2 4.34Å; A299-L343 HydrophobicContact CB-CG 4.18Å; A299-L427 HydrophobicContact CB-CD1 3.7Å
300	T	95.6	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-46.6	175.3	-57.3	0	0	0	0	111.2	V296 V297 E298 S303 Y304 L427 E431 F433 L434	V296-T300 VanDerWaalsContact O-CB 3.29Å; V296-T300 WeakPolarHBondContact O-CB 3.28Å; V296-T300 PolarHBondContact O-N 3Å; V296-T300 PolarHBondContact O-OG1 2.6Å; V297-T300 PolarHBondContact O-N 3.31Å; E298-T300 VanDerWaalsContact C-N 3.29Å; E298-T300 PolarHBondContact O-N 2.85Å; T300-S303 WeakPolarHBondContact O-CB 3.18Å; T300-S303 PolarHBondContact O-N 2.67Å; T300-S303 PolarHBondContact O-OG 3Å; T300-Y304 VanDerWaalsContact O-CD2 3.27Å; T300-Y304 WeakPolarHBondContact O-CD2 3.32Å; T300-L427 WeakPolarHBondContact OG1-CD2 3.49Å; T300-E431 WeakPolarHBondContact CG2-O 3.29Å; T300-F433 WeakPolarHBondContact OG1-CE1 3.37Å; T300-L434 HydrophobicContact CG2-CB 3.79Å; T300-L434 HydrophobicContact CG2-CD1 4.2Å; T300-L434 HydrophobicContact CG2-CG 4.25Å
301	N	95.7	Very high	95.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-46.1	178.8	-67.1	-20.4	0	0	0	111.6	Q266 M270 V297 E298 A299 S303 Y304 F329 P437	Q266-N301 PolarHBondContact NE2-OD1 2.8Å; M270-N301 WeakPolarHBondContact CE-ND2 3.49Å; V297-N301 WeakPolarHBondContact O-CB 3.32Å; V297-N301 PolarHBondContact O-N 2.74Å; V297-N301 PolarHBondContact O-ND2 2.78Å; E298-N301 PolarHBondContact O-N 2.87Å; A299-N301 PolarHBondContact O-N 2.8Å; N301-S303 VanDerWaalsContact C-N 3.25Å; N301-S303 PolarHBondContact O-N 3.31Å; N301-Y304 WeakPolarHBondContact O-CB 3.48Å; N301-Y304 PolarHBondContact O-N 3.14Å; N301-F329 HydrophobicContact CB-CD2 4.32Å; N301-F329 HydrophobicContact CB-CE1 4.25Å; N301-F329 HydrophobicContact CB-CE2 3.84Å; N301-F329 HydrophobicContact CB-CZ 3.82Å; N301-F329 WeakPolarHBondContact O-CE2 3.34Å; N301-F329 WeakPolarHBondContact O-CZ 3.27Å; N301-P437 HydrophobicContact CB-CG 4.03Å
302	C	96.4	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-28.9	177	-73.6	0	0	0	0	112.5	E298 A299 Y304 L305 F308 A339 L343	E298-C302 WeakPolarHBondContact O-CB 3.21Å; E298-C302 PolarHBondContact O-N 3.41Å; E298-C302 PolarHBondContact O-SG 3.36Å; E298-C302 VanDerWaalsContact O-SG 3.39Å; A299-C302 PolarHBondContact O-N 2.8Å; C302-Y304 PolarHBondContact O-N 3.08Å; C302-L305 WeakPolarHBondContact O-CB 3.46Å; C302-L305 PolarHBondContact O-N 3.36Å; C302-F308 HydrophobicContact CB-CD1 3.82Å; C302-F308 HydrophobicContact CB-CD2 4.19Å; C302-F308 HydrophobicContact CB-CE1 3.94Å; C302-F308 HydrophobicContact CB-CE2 4.31Å; C302-F308 HydrophobicContact CB-CG 3.93Å; C302-F308 HydrophobicContact CB-CZ 4.18Å; C302-F308 WeakPolarHBondContact O-CB 3.34Å; C302-A339 HydrophobicContact CB-CB 4.08Å; C302-L343 HydrophobicContact CB-CD1 4.1Å
303	S	94.9	Very high	95.3	Very high	8 Å²	8	23 Å²	23	6%	0.056	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.5	175.9	81.7	0	0	0	0	114.4	A299 T300 N301 R432	A299-S303 PolarHBondContact O-N 3.14Å; T300-S303 WeakPolarHBondContact O-CB 3.18Å; T300-S303 PolarHBondContact O-N 2.67Å; T300-S303 PolarHBondContact O-OG 3Å; N301-S303 VanDerWaalsContact C-N 3.25Å; N301-S303 PolarHBondContact O-N 3.31Å; S303-R432 PolarHBondContact O-NH2 2.78Å
304	Y	94.6	Very high	95.2	Very high	51 Å²	51	26.9 Å²	26.9	20%	0.2	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-11.7	173.2	-68.7	-88.4	0	0	0	113.7	T300 N301 C302 R432 L434 M436 P437 L440	T300-Y304 VanDerWaalsContact O-CD2 3.27Å; T300-Y304 WeakPolarHBondContact O-CD2 3.32Å; N301-Y304 WeakPolarHBondContact O-CB 3.48Å; N301-Y304 PolarHBondContact O-N 3.14Å; C302-Y304 PolarHBondContact O-N 3.08Å; Y304-R432 HydrophobicContact CE1-CG 4.19Å; Y304-R432 HydrophobicContact CE2-CB 4.37Å; Y304-R432 HydrophobicContact CE2-CG 3.82Å; Y304-R432 WeakPolarHBondContact OH-CB 3.46Å; Y304-L434 PolarHBondContact OH-O 3.27Å; Y304-M436 HydrophobicContact CD1-CB 4.36Å; Y304-M436 HydrophobicContact CD1-CG 4Å; Y304-M436 HydrophobicContact CE1-CB 3.86Å; Y304-M436 HydrophobicContact CE1-CG 4Å; Y304-M436 PolarHBondContact OH-N 3.07Å; Y304-P437 HydrophobicContact CD2-CG 4.47Å; Y304-L440 HydrophobicContact CG-CD1 4.46Å
305	L	95.6	Very high	95	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	17%	0.173	C	C	.	.	S	Bend	trans	-83	145.3	-179.9	-61.7	-176	0	0	0	111.3	C302 F308 E324 A325 V328 F329 L440	C302-L305 WeakPolarHBondContact O-CB 3.46Å; C302-L305 PolarHBondContact O-N 3.36Å; L305-F308 HydrophobicContact CB-CB 4.42Å; L305-F308 HydrophobicContact CB-CD2 3.8Å; L305-F308 HydrophobicContact CD1-CD2 3.9Å; L305-F308 HydrophobicContact CD1-CE2 3.92Å; L305-F308 HydrophobicContact CG-CD2 4.43Å; L305-F308 PolarHBondContact O-N 2.95Å; L305-E324 HydrophobicContact CB-CG 4.4Å; L305-E324 HydrophobicContact CD1-CG 4.12Å; L305-E324 HydrophobicContact CD2-CG 4.15Å; L305-E324 HydrophobicContact CG-CG 4.45Å; L305-A325 HydrophobicContact CD1-CB 4.25Å; L305-V328 HydrophobicContact CD2-CB 4.29Å; L305-V328 HydrophobicContact CD2-CG1 4.21Å; L305-V328 HydrophobicContact CD2-CG2 4.12Å; L305-F329 HydrophobicContact CD1-CD2 3.95Å; L305-F329 HydrophobicContact CD1-CE2 3.61Å; L305-F329 HydrophobicContact CD2-CE2 3.8Å; L305-F329 HydrophobicContact CD2-CZ 4.05Å; L305-F329 HydrophobicContact CG-CE2 3.69Å; L305-F329 HydrophobicContact CG-CZ 4.33Å; L305-L440 HydrophobicContact CD2-CD1 4.33Å; L305-L440 HydrophobicContact CD2-CD2 4.17Å
306	A	95.7	Very high	94.9	Very high	69 Å²	69	32.8 Å²	32.8	57%	0.57	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-67.6	-40.4	-175.9	0	0	0	0	0	111.7	F308 A309 H312 E324	A306-F308 PolarHBondContact O-N 2.82Å; A306-A309 VanDerWaalsContact O-CB 3.31Å; A306-A309 WeakPolarHBondContact O-CB 3.33Å; A306-A309 PolarHBondContact O-N 3.24Å; A306-A309 VanDerWaalsContact O-N 3.12Å; A306-H312 PolarHBondContact O-CD2 3.26Å; A306-E324 PolarHBondContact N-OE1 3.27Å
307	S	96.9	Very high	95	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.1	-18.8	178.2	60.8	0	0	0	0	113.8	H312 M321 E324	S307-H312 WeakPolarHBondContact O-CB 3.35Å; S307-M321 WeakPolarHBondContact O-CE 3.35Å; S307-M321 WeakPolarHBondContact O-CG 3.46Å; S307-M321 WeakPolarHBondContact OG-CA 3.26Å; S307-E324 WeakPolarHBondContact CB-OE2 3.49Å; S307-E324 PolarHBondContact N-OE2 2.87Å; S307-E324 PolarHBondContact OG-OE2 2.91Å
308	F	96.5	Very high	95	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.013	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-97.8	7.5	178.2	-73.4	-97.8	0	0	0	113	C302 L305 A306 L313 M321 A325 A339 L343	C302-F308 HydrophobicContact CB-CD1 3.82Å; C302-F308 HydrophobicContact CB-CD2 4.19Å; C302-F308 HydrophobicContact CB-CE1 3.94Å; C302-F308 HydrophobicContact CB-CE2 4.31Å; C302-F308 HydrophobicContact CB-CG 3.93Å; C302-F308 HydrophobicContact CB-CZ 4.18Å; C302-F308 WeakPolarHBondContact O-CB 3.34Å; L305-F308 HydrophobicContact CB-CB 4.42Å; L305-F308 HydrophobicContact CB-CD2 3.8Å; L305-F308 HydrophobicContact CD1-CD2 3.9Å; L305-F308 HydrophobicContact CD1-CE2 3.92Å; L305-F308 HydrophobicContact CG-CD2 4.43Å; L305-F308 PolarHBondContact O-N 2.95Å; A306-F308 PolarHBondContact O-N 2.82Å; F308-L313 HydrophobicContact CD1-CD2 4.38Å; F308-L313 WeakPolarHBondContact O-CG 3.35Å; F308-M321 HydrophobicContact CD2-CB 4.43Å; F308-M321 HydrophobicContact CD2-CG 4.26Å; F308-M321 HydrophobicContact CE1-CB 4.44Å; F308-M321 HydrophobicContact CE1-CG 4.5Å; F308-M321 HydrophobicContact CE2-CB 3.78Å; F308-M321 HydrophobicContact CE2-CG 4.1Å; F308-M321 WeakPolarHBondContact CE2-O 3.42Å; F308-M321 HydrophobicContact CZ-CB 3.8Å; F308-M321 HydrophobicContact CZ-CG 4.24Å; F308-A325 HydrophobicContact CE2-CB 4.08Å; F308-A325 HydrophobicContact CZ-CB 4.22Å; F308-A339 HydrophobicContact CE1-CB 4.33Å; F308-L343 HydrophobicContact CB-CD1 4.25Å; F308-L343 HydrophobicContact CD1-CD1 3.84Å; F308-L343 HydrophobicContact CG-CD1 4.44Å
309	A	94.4	Very high	95	Very high	21 Å²	21	39.9 Å²	39.9	17%	0.174	22%	0.223	C	C	.	.	S	Bend	trans	-60.9	149.7	175.3	0	0	0	0	0	111.4	A306 E311 H312 L313	A306-A309 VanDerWaalsContact O-CB 3.31Å; A306-A309 WeakPolarHBondContact O-CB 3.33Å; A306-A309 PolarHBondContact O-N 3.24Å; A306-A309 VanDerWaalsContact O-N 3.12Å; A309-E311 VanDerWaalsContact CB-CD 3.49Å; A309-E311 HydrophobicContact CB-CG 4.38Å; A309-E311 WeakPolarHBondContact CB-OE2 3.34Å; A309-E311 PolarHBondContact O-N 2.72Å; A309-H312 PolarHBondContact O-N 3.4Å; A309-L313 PolarHBondContact O-N 3.4Å
310	P	92.4	Very high	95	Very high	57 Å²	57	45.9 Å²	45.9	37%	0.37	25%	0.25	S	S	.	.	H	α-helix	trans	-51.5	-34.4	-173.6	-29.7	36.4	0	0	0	115.5	H312 L313	P310-H312 VanDerWaalsContact C-N 3.28Å; P310-H312 PolarHBondContact O-N 3.37Å; P310-L313 PolarHBondContact O-N 2.76Å
311	E	93.3	Very high	95.2	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-24.2	176.9	60.9	-90.8	-146.9	0	0	114.3	A309 K314 N315	A309-E311 VanDerWaalsContact CB-CD 3.49Å; A309-E311 HydrophobicContact CB-CG 4.38Å; A309-E311 WeakPolarHBondContact CB-OE2 3.34Å; A309-E311 PolarHBondContact O-N 2.72Å; E311-K314 WeakPolarHBondContact O-CE 3.1Å; E311-K314 WeakPolarHBondContact O-CG 3.47Å; E311-N315 PolarHBondContact O-ND2 2.79Å; E311-N315 VanDerWaalsContact O-ND2 3.11Å
312	H	95.3	Very high	95.2	Very high	89 Å²	89	49.7 Å²	49.7	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-91.3	-34.7	177.2	-67.9	-64.5	0	0	0	111.6	A306 S307 A309 P310 K314 N315 M321	A306-H312 PolarHBondContact O-CD2 3.26Å; S307-H312 WeakPolarHBondContact O-CB 3.35Å; A309-H312 PolarHBondContact O-N 3.4Å; P310-H312 VanDerWaalsContact C-N 3.28Å; P310-H312 PolarHBondContact O-N 3.37Å; H312-K314 PolarHBondContact O-N 2.93Å; H312-K314 VanDerWaalsContact O-N 3.13Å; H312-N315 PolarHBondContact O-N 3.17Å; H312-N315 PolarHBondContact O-ND2 2.87Å; H312-M321 HydrophobicContact CB-CE 4.11Å
313	L	94.7	Very high	95.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-32.6	178.8	-62.4	178	0	0	0	112.9	F308 A309 P310 N315 M321 Y340 L343 R344	F308-L313 HydrophobicContact CD1-CD2 4.38Å; F308-L313 WeakPolarHBondContact O-CG 3.35Å; A309-L313 PolarHBondContact O-N 3.4Å; P310-L313 PolarHBondContact O-N 2.76Å; L313-N315 PolarHBondContact O-N 3.4Å; L313-M321 HydrophobicContact CD2-CE 4.1Å; L313-Y340 HydrophobicContact CD2-CD2 3.75Å; L313-Y340 HydrophobicContact CD2-CE2 4.3Å; L313-Y340 WeakPolarHBondContact O-CE2 3.29Å; L313-L343 HydrophobicContact CD1-CB 3.81Å; L313-L343 HydrophobicContact CD2-CB 4.17Å; L313-R344 WeakPolarHBondContact O-CD 3.45Å
314	K	91.7	Very high	95.4	Very high	122 Å²	122	55.9 Å²	55.9	53%	0.53	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.6	178.8	68.5	-178.8	-179.9	-178.7	0	115.7	E311 H312 R344	E311-K314 WeakPolarHBondContact O-CE 3.1Å; E311-K314 WeakPolarHBondContact O-CG 3.47Å; H312-K314 PolarHBondContact O-N 2.93Å; H312-K314 VanDerWaalsContact O-N 3.13Å; K314-R344 VanDerWaalsContact CB-NH1 3.28Å
315	N	93	Very high	95.6	Very high	117 Å²	117	53.5 Å²	53.5	63%	0.626	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	7.9	-174.4	-50.4	-55.2	0	0	0	113	E311 H312 L313	E311-N315 PolarHBondContact O-ND2 2.79Å; E311-N315 VanDerWaalsContact O-ND2 3.11Å; H312-N315 PolarHBondContact O-N 3.17Å; H312-N315 PolarHBondContact O-ND2 2.87Å; L313-N315 PolarHBondContact O-N 3.4Å
316	G	93.7	Very high	95.6	Very high	15 Å²	15	55.8 Å²	55.8	16%	0.155	30%	0.298	C	S	.	.			trans	89.6	172.6	-175	0	0	0	0	0	113.1	S318 Y340	G316-S318 PolarHBondContact O-N 3.48Å; G316-Y340 VanDerWaalsContact CA-OH 3.24Å; G316-Y340 WeakPolarHBondContact CA-OH 3.28Å
317	F	96	Very high	95.6	Very high	31 Å²	31	56.3 Å²	56.3	14%	0.136	30%	0.298	C	S	.	.	S	Bend	trans	-67.2	121.1	172	-176.5	-109.4	0	0	0	111.5	M321 K322 K333 A336 R337 Y340	F317-M321 HydrophobicContact CD2-CB 4.26Å; F317-M321 HydrophobicContact CD2-SD 4.08Å; F317-M321 HydrophobicContact CE2-CB 4.02Å; F317-K322 HydrophobicContact CE1-CB 4.26Å; F317-K322 HydrophobicContact CZ-CB 3.86Å; F317-K333 HydrophobicContact CE1-CG 4.2Å; F317-K333 HydrophobicContact CZ-CG 4.49Å; F317-A336 HydrophobicContact CE2-CB 4.04Å; F317-A336 HydrophobicContact CZ-CB 4.06Å; F317-R337 HydrophobicContact CD1-CB 4.31Å; F317-R337 VanDerWaalsContact CD1-CZ 3.47Å; F317-R337 HydrophobicContact CD2-CB 4.06Å; F317-R337 HydrophobicContact CD2-CG 4.46Å; F317-R337 HydrophobicContact CE1-CB 4.14Å; F317-R337 VanDerWaalsContact CE2-CA 3.45Å; F317-R337 HydrophobicContact CE2-CB 3.92Å; F317-R337 HydrophobicContact CG-CB 4.23Å; F317-R337 HydrophobicContact CG-CG 4.31Å; F317-R337 HydrophobicContact CZ-CB 3.92Å; F317-Y340 HydrophobicContact CB-CD1 3.63Å; F317-Y340 HydrophobicContact CB-CE1 3.82Å; F317-Y340 HydrophobicContact CB-CG 4.14Å; F317-Y340 HydrophobicContact CD2-CD1 4Å; F317-Y340 AromaticContact CD2-CG 3.91Å; F317-Y340 HydrophobicContact CD2-CG 3.91Å; F317-Y340 HydrophobicContact CG-CD1 4.25Å
318	S	96.4	Very high	95.6	Very high	35 Å²	35	56.5 Å²	56.5	25%	0.245	30%	0.298	C	S	.	.			trans	-106.1	167.6	-175.4	92.2	0	0	0	0	113.6	G316 E320 M321 K322	G316-S318 PolarHBondContact O-N 3.48Å; S318-E320 VanDerWaalsContact C-N 3.34Å; S318-E320 WeakPolarHBondContact CB-OE2 3.38Å; S318-E320 PolarHBondContact OG-N 2.68Å; S318-E320 PolarHBondContact OG-OE2 3.44Å; S318-M321 PolarHBondContact OG-N 2.75Å; S318-K322 PolarHBondContact O-N 2.86Å
319	V	96.2	Very high	95.6	Very high	90 Å²	90	56.8 Å²	56.8	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-70.8	-35.2	175.7	179.6	0	0	0	0	110.3	M321 K322 D323	V319-M321 VanDerWaalsContact C-N 3.33Å; V319-M321 PolarHBondContact O-N 3.12Å; V319-K322 WeakPolarHBondContact O-CB 3.39Å; V319-K322 PolarHBondContact O-N 3.44Å; V319-D323 WeakPolarHBondContact CG1-OD2 3.46Å; V319-D323 WeakPolarHBondContact O-CB 3.17Å; V319-D323 PolarHBondContact O-N 2.77Å
320	E	97	Very high	95.7	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-61.3	-41.5	175.9	-57	74.5	-164	0	0	111.3	S318 D323 E324	S318-E320 VanDerWaalsContact C-N 3.34Å; S318-E320 WeakPolarHBondContact CB-OE2 3.38Å; S318-E320 PolarHBondContact OG-N 2.68Å; S318-E320 PolarHBondContact OG-OE2 3.44Å; E320-D323 PolarHBondContact O-N 3.19Å; E320-E324 VanDerWaalsContact O-CB 3.29Å; E320-E324 WeakPolarHBondContact O-CB 3.47Å; E320-E324 PolarHBondContact O-N 3.32Å
321	M	98.2	Very high	95.8	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-45.8	173.7	-71.1	175.9	-176.6	0	0	112	S307 F308 H312 L313 F317 S318 V319 A325 Y340	S307-M321 WeakPolarHBondContact O-CE 3.35Å; S307-M321 WeakPolarHBondContact O-CG 3.46Å; S307-M321 WeakPolarHBondContact OG-CA 3.26Å; F308-M321 HydrophobicContact CD2-CB 4.43Å; F308-M321 HydrophobicContact CD2-CG 4.26Å; F308-M321 HydrophobicContact CE1-CB 4.44Å; F308-M321 HydrophobicContact CE1-CG 4.5Å; F308-M321 HydrophobicContact CE2-CB 3.78Å; F308-M321 HydrophobicContact CE2-CG 4.1Å; F308-M321 WeakPolarHBondContact CE2-O 3.42Å; F308-M321 HydrophobicContact CZ-CB 3.8Å; F308-M321 HydrophobicContact CZ-CG 4.24Å; H312-M321 HydrophobicContact CB-CE 4.11Å; L313-M321 HydrophobicContact CD2-CE 4.1Å; F317-M321 HydrophobicContact CD2-CB 4.26Å; F317-M321 HydrophobicContact CD2-SD 4.08Å; F317-M321 HydrophobicContact CE2-CB 4.02Å; S318-M321 PolarHBondContact OG-N 2.75Å; V319-M321 VanDerWaalsContact C-N 3.33Å; V319-M321 PolarHBondContact O-N 3.12Å; M321-A325 WeakPolarHBondContact O-CB 3.33Å; M321-A325 PolarHBondContact O-N 3.08Å; M321-A325 VanDerWaalsContact O-N 3.1Å; M321-Y340 HydrophobicContact CE-CD2 3.97Å; M321-Y340 HydrophobicContact CE-CE2 4.41Å; M321-Y340 HydrophobicContact SD-CD2 3.7Å; M321-Y340 HydrophobicContact SD-CE2 4.49Å; M321-Y340 HydrophobicContact SD-CG 4.15Å
322	K	97.4	Very high	95.8	Very high	81 Å²	81	50.6 Å²	50.6	35%	0.352	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-50.6	177.2	-179.8	-160.7	166.8	-165.2	0	110.7	F317 S318 V319 F326 K333	F317-K322 HydrophobicContact CE1-CB 4.26Å; F317-K322 HydrophobicContact CZ-CB 3.86Å; S318-K322 PolarHBondContact O-N 2.86Å; V319-K322 WeakPolarHBondContact O-CB 3.39Å; V319-K322 PolarHBondContact O-N 3.44Å; K322-F326 VanDerWaalsContact O-CB 3.27Å; K322-F326 WeakPolarHBondContact O-CB 3.43Å; K322-F326 PolarHBondContact O-N 2.95Å; K322-K333 HydrophobicContact CD-CB 4.24Å; K322-K333 HydrophobicContact CD-CD 4.41Å; K322-K333 HydrophobicContact CD-CG 4.07Å; K322-K333 HydrophobicContact CG-CB 4.16Å; K322-K333 HydrophobicContact CG-CG 4.2Å
323	D	97.7	Very high	95.8	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-38.2	-172	-67.8	-12.2	0	0	0	111.9	V319 E320 S327	V319-D323 WeakPolarHBondContact CG1-OD2 3.46Å; V319-D323 WeakPolarHBondContact O-CB 3.17Å; V319-D323 PolarHBondContact O-N 2.77Å; E320-D323 PolarHBondContact O-N 3.19Å; D323-S327 WeakPolarHBondContact O-CB 3.49Å; D323-S327 PolarHBondContact O-N 2.85Å
324	E	97.6	Very high	95.7	Very high	56 Å²	56	53.1 Å²	53.1	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-47	175.1	-166.5	-179.2	-174.5	0	0	111	L305 A306 S307 E320 F326 S327 V328	L305-E324 HydrophobicContact CB-CG 4.4Å; L305-E324 HydrophobicContact CD1-CG 4.12Å; L305-E324 HydrophobicContact CD2-CG 4.15Å; L305-E324 HydrophobicContact CG-CG 4.45Å; A306-E324 PolarHBondContact N-OE1 3.27Å; S307-E324 WeakPolarHBondContact CB-OE2 3.49Å; S307-E324 PolarHBondContact N-OE2 2.87Å; S307-E324 PolarHBondContact OG-OE2 2.91Å; E320-E324 VanDerWaalsContact O-CB 3.29Å; E320-E324 WeakPolarHBondContact O-CB 3.47Å; E320-E324 PolarHBondContact O-N 3.32Å; E324-F326 PolarHBondContact O-N 2.82Å; E324-S327 PolarHBondContact O-N 2.87Å; E324-V328 HydrophobicContact CG-CG2 4.34Å; E324-V328 WeakPolarHBondContact O-CB 3.4Å; E324-V328 WeakPolarHBondContact O-CG2 3.38Å; E324-V328 PolarHBondContact O-N 3.4Å
325	A	97.5	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-39.8	177.9	0	0	0	0	0	112.4	L305 F308 M321 F329 K330 M331 A336	L305-A325 HydrophobicContact CD1-CB 4.25Å; F308-A325 HydrophobicContact CE2-CB 4.08Å; F308-A325 HydrophobicContact CZ-CB 4.22Å; M321-A325 WeakPolarHBondContact O-CB 3.33Å; M321-A325 PolarHBondContact O-N 3.08Å; M321-A325 VanDerWaalsContact O-N 3.1Å; A325-F329 WeakPolarHBondContact O-CA 3.25Å; A325-F329 WeakPolarHBondContact O-CB 3.33Å; A325-F329 PolarHBondContact O-N 3.04Å; A325-K330 PolarHBondContact O-N 3.33Å; A325-M331 HydrophobicContact CB-CB 4.37Å; A325-M331 HydrophobicContact CB-SD 4.25Å; A325-A336 HydrophobicContact CB-CB 3.83Å
326	F	96.9	Very high	96.2	Very high	54 Å²	54	42 Å²	42	24%	0.237	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-45.3	174.4	-178.3	-94.4	0	0	0	111.5	W279 H280 K322 E324 K330 M331	W279-F326 HydrophobicContact CD2-CE2 4.4Å; W279-F326 AromaticContact CD2-CZ 3.78Å; W279-F326 HydrophobicContact CD2-CZ 3.78Å; W279-F326 AromaticContact CE2-CZ 3.65Å; W279-F326 AromaticContact CE3-CZ 4Å; W279-F326 HydrophobicContact CE3-CZ 4Å; W279-F326 HydrophobicContact CG-CZ 4.42Å; W279-F326 HydrophobicContact CH2-CE1 4.37Å; W279-F326 AromaticContact CH2-CZ 3.95Å; W279-F326 HydrophobicContact CH2-CZ 3.95Å; W279-F326 HydrophobicContact CZ2-CE2 4.43Å; W279-F326 AromaticContact CZ2-CZ 3.74Å; W279-F326 HydrophobicContact CZ2-CZ 3.74Å; W279-F326 HydrophobicContact CZ3-CE1 4.49Å; W279-F326 HydrophobicContact CZ3-CZ 4.08Å; W279-F326 WeakPolarHBondContact O-CE2 3.35Å; H280-F326 HydrophobicContact CB-CE2 4.37Å; K322-F326 VanDerWaalsContact O-CB 3.27Å; K322-F326 WeakPolarHBondContact O-CB 3.43Å; K322-F326 PolarHBondContact O-N 2.95Å; E324-F326 PolarHBondContact O-N 2.82Å; F326-K330 VanDerWaalsContact O-CA 3.23Å; F326-K330 WeakPolarHBondContact O-CA 3.47Å; F326-K330 PolarHBondContact O-N 2.77Å; F326-M331 WeakPolarHBondContact CD2-O 3.45Å
327	S	95.2	Very high	96.3	Very high	80 Å²	80	44.1 Å²	44.1	56%	0.559	22%	0.222	S	C	*	.	H	α-helix	trans	-62.7	-48.6	-178.6	-176.1	0	0	0	0	112.3	D323 E324	D323-S327 WeakPolarHBondContact O-CB 3.49Å; D323-S327 PolarHBondContact O-N 2.85Å; E324-S327 PolarHBondContact O-N 2.87Å
328	V	96.1	Very high	96.3	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-83.1	-46.9	-173.7	-179.2	0	0	0	0	112.3	L305 E324 V439 L440	L305-V328 HydrophobicContact CD2-CB 4.29Å; L305-V328 HydrophobicContact CD2-CG1 4.21Å; L305-V328 HydrophobicContact CD2-CG2 4.12Å; E324-V328 HydrophobicContact CG-CG2 4.34Å; E324-V328 WeakPolarHBondContact O-CB 3.4Å; E324-V328 WeakPolarHBondContact O-CG2 3.38Å; E324-V328 PolarHBondContact O-N 3.4Å; V328-V439 HydrophobicContact CG1-CG2 3.95Å; V328-L440 HydrophobicContact CG1-CD2 3.55Å; V328-L440 HydrophobicContact CG1-CG 4.13Å
329	F	96.6	Very high	96.2	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-110.7	-0.2	-170.1	-59.7	-47.1	0	0	0	114.2	M270 N301 L305 A325 M331 P437 V439 L440	M270-F329 HydrophobicContact CE-CD1 3.75Å; M270-F329 HydrophobicContact CE-CE1 4.2Å; M270-F329 HydrophobicContact SD-CD1 4.03Å; M270-F329 HydrophobicContact SD-CE1 4.03Å; N301-F329 HydrophobicContact CB-CD2 4.32Å; N301-F329 HydrophobicContact CB-CE1 4.25Å; N301-F329 HydrophobicContact CB-CE2 3.84Å; N301-F329 HydrophobicContact CB-CZ 3.82Å; N301-F329 WeakPolarHBondContact O-CE2 3.34Å; N301-F329 WeakPolarHBondContact O-CZ 3.27Å; L305-F329 HydrophobicContact CD1-CD2 3.95Å; L305-F329 HydrophobicContact CD1-CE2 3.61Å; L305-F329 HydrophobicContact CD2-CE2 3.8Å; L305-F329 HydrophobicContact CD2-CZ 4.05Å; L305-F329 HydrophobicContact CG-CE2 3.69Å; L305-F329 HydrophobicContact CG-CZ 4.33Å; A325-F329 WeakPolarHBondContact O-CA 3.25Å; A325-F329 WeakPolarHBondContact O-CB 3.33Å; A325-F329 PolarHBondContact O-N 3.04Å; F329-M331 HydrophobicContact CB-CG 3.75Å; F329-M331 HydrophobicContact CB-SD 3.77Å; F329-M331 HydrophobicContact CD2-SD 3.98Å; F329-M331 HydrophobicContact CG-SD 4.31Å; F329-M331 PolarHBondContact O-N 2.75Å; F329-P437 HydrophobicContact CE1-CB 3.67Å; F329-P437 HydrophobicContact CE1-CG 3.78Å; F329-P437 HydrophobicContact CZ-CB 4.16Å; F329-P437 HydrophobicContact CZ-CG 3.84Å; F329-V439 HydrophobicContact CD1-CG2 3.89Å; F329-V439 HydrophobicContact CE1-CG2 3.68Å; F329-L440 HydrophobicContact CE1-CD1 4.43Å; F329-L440 HydrophobicContact CE1-CG 4.39Å; F329-L440 HydrophobicContact CZ-CD1 3.93Å; F329-L440 HydrophobicContact CZ-CG 4.32Å
330	K	96	Very high	96.3	Very high	41 Å²	41	37.5 Å²	37.5	18%	0.178	18%	0.181	C	C	.	.			trans	56	38.6	-176.6	-50.5	-58.1	-177.2	-165.9	0	112	A273 V278 H280 V281 A325 F326	A273-K330 HydrophobicContact CB-CG 4.09Å; V278-K330 HydrophobicContact CG1-CB 4.24Å; V278-K330 HydrophobicContact CG1-CG 4.23Å; H280-K330 WeakPolarHBondContact CA-O 3.49Å; H280-K330 WeakPolarHBondContact CB-O 3.42Å; V281-K330 PolarHBondContact N-O 3.35Å; A325-K330 PolarHBondContact O-N 3.33Å; F326-K330 VanDerWaalsContact O-CA 3.23Å; F326-K330 WeakPolarHBondContact O-CA 3.47Å; F326-K330 PolarHBondContact O-N 2.77Å
331	M	94.5	Very high	96.2	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.044	15%	0.154	C	C	.	.			trans	-88.2	138.9	179.3	-70.9	172.3	61.5	0	0	111.3	E298 A325 F326 F329 R335 A336 A339	E298-M331 HydrophobicContact CB-CE 3.82Å; E298-M331 HydrophobicContact CB-SD 4.41Å; E298-M331 HydrophobicContact CG-CE 3.89Å; E298-M331 HydrophobicContact CG-SD 4.22Å; A325-M331 HydrophobicContact CB-CB 4.37Å; A325-M331 HydrophobicContact CB-SD 4.25Å; F326-M331 WeakPolarHBondContact CD2-O 3.45Å; F329-M331 HydrophobicContact CB-CG 3.75Å; F329-M331 HydrophobicContact CB-SD 3.77Å; F329-M331 HydrophobicContact CD2-SD 3.98Å; F329-M331 HydrophobicContact CG-SD 4.31Å; F329-M331 PolarHBondContact O-N 2.75Å; M331-R335 HydrophobicContact CB-CB 4.29Å; M331-R335 HydrophobicContact CE-CB 3.96Å; M331-A336 HydrophobicContact CE-CB 4.46Å; M331-A339 HydrophobicContact CE-CB 4.19Å
332	S	94.5	Very high	96.1	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.049	15%	0.153	C	C	.	.			trans	-66.2	166.1	169.1	75.4	0	0	0	0	111.4	E334 R335 A336	S332-E334 PolarHBondContact O-N 2.94Å; S332-R335 PolarHBondContact O-N 3.05Å; S332-R335 WeakPolarHBondContact OG-CG 3.22Å; S332-R335 PolarHBondContact OG-N 2.79Å; S332-A336 WeakPolarHBondContact O-CB 3.47Å; S332-A336 PolarHBondContact O-N 2.87Å
333	K	95.1	Very high	96	Very high	91 Å²	91	27.8 Å²	27.8	40%	0.396	14%	0.137	S	C	.	.	H	α-helix	trans	-59.7	-38.7	178.6	176	-172	169.1	-161.2	0	111.5	F317 K322 A336 R337	F317-K333 HydrophobicContact CE1-CG 4.2Å; F317-K333 HydrophobicContact CZ-CG 4.49Å; K322-K333 HydrophobicContact CD-CB 4.24Å; K322-K333 HydrophobicContact CD-CD 4.41Å; K322-K333 HydrophobicContact CD-CG 4.07Å; K322-K333 HydrophobicContact CG-CB 4.16Å; K322-K333 HydrophobicContact CG-CG 4.2Å; K333-A336 PolarHBondContact O-N 3.07Å; K333-R337 VanDerWaalsContact O-CB 3.32Å; K333-R337 WeakPolarHBondContact O-CB 3.31Å; K333-R337 PolarHBondContact O-N 2.98Å
334	E	93.3	Very high	95.8	Very high	53 Å²	53	24.5 Å²	24.5	25%	0.248	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-45.6	-178	-68.6	57.5	-126.4	0	0	109.4	S332 R337 R338	S332-E334 PolarHBondContact O-N 2.94Å; E334-R337 PolarHBondContact O-N 2.82Å; E334-R338 WeakPolarHBondContact O-CG 3.24Å; E334-R338 PolarHBondContact O-N 2.77Å
335	R	95.9	Very high	95.7	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-47.3	175.1	-63.8	-50.7	-58.3	166.7	10.7	111.6	D295 E298 M331 S332 R337 R338 A339	D295-R335 IonicContact OD1-CZ 3.27Å; D295-R335 IonicContact OD1-NH1 3.19Å; D295-R335 PolarHBondContact OD1-NH1 3.41Å; D295-R335 IonicContact OD1-NH2 3.24Å; D295-R335 PolarHBondContact OD1-NH2 2.88Å; E298-R335 VanDerWaalsContact CD-NE 3.34Å; E298-R335 WeakPolarHBondContact OE1-CB 3.28Å; E298-R335 IonicContact OE1-NE 2.6Å; E298-R335 PolarHBondContact OE1-NE 3.33Å; E298-R335 IonicContact OE2-CZ 2.84Å; E298-R335 IonicContact OE2-NE 3.75Å; E298-R335 PolarHBondContact OE2-NE 2.95Å; E298-R335 IonicContact OE2-NH2 2.7Å; E298-R335 PolarHBondContact OE2-NH2 2.81Å; M331-R335 HydrophobicContact CB-CB 4.29Å; M331-R335 HydrophobicContact CE-CB 3.96Å; S332-R335 PolarHBondContact O-N 3.05Å; S332-R335 WeakPolarHBondContact OG-CG 3.22Å; S332-R335 PolarHBondContact OG-N 2.79Å; R335-R337 VanDerWaalsContact C-N 3.31Å; R335-R337 PolarHBondContact O-N 2.98Å; R335-R338 PolarHBondContact O-N 2.9Å; R335-R338 VanDerWaalsContact O-N 3.11Å; R335-A339 PolarHBondContact O-N 2.69Å
336	A	97.4	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-41.7	176.3	0	0	0	0	0	112.2	F317 A325 M331 S332 K333 A339 Y340	F317-A336 HydrophobicContact CE2-CB 4.04Å; F317-A336 HydrophobicContact CZ-CB 4.06Å; A325-A336 HydrophobicContact CB-CB 3.83Å; M331-A336 HydrophobicContact CE-CB 4.46Å; S332-A336 WeakPolarHBondContact O-CB 3.47Å; S332-A336 PolarHBondContact O-N 2.87Å; K333-A336 PolarHBondContact O-N 3.07Å; A336-A339 PolarHBondContact O-N 2.72Å; A336-Y340 PolarHBondContact O-N 2.81Å
337	R	96.3	Very high	95.2	Very high	60 Å²	60	21.5 Å²	21.5	23%	0.226	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-41.7	174.5	176.5	175.4	-74.8	-83.1	4.4	112.1	F317 K333 E334 R335 A339 Y340 E341 E362	F317-R337 HydrophobicContact CD1-CB 4.31Å; F317-R337 VanDerWaalsContact CD1-CZ 3.47Å; F317-R337 HydrophobicContact CD2-CB 4.06Å; F317-R337 HydrophobicContact CD2-CG 4.46Å; F317-R337 HydrophobicContact CE1-CB 4.14Å; F317-R337 VanDerWaalsContact CE2-CA 3.45Å; F317-R337 HydrophobicContact CE2-CB 3.92Å; F317-R337 HydrophobicContact CG-CB 4.23Å; F317-R337 HydrophobicContact CG-CG 4.31Å; F317-R337 HydrophobicContact CZ-CB 3.92Å; K333-R337 VanDerWaalsContact O-CB 3.32Å; K333-R337 WeakPolarHBondContact O-CB 3.31Å; K333-R337 PolarHBondContact O-N 2.98Å; E334-R337 PolarHBondContact O-N 2.82Å; R335-R337 VanDerWaalsContact C-N 3.31Å; R335-R337 PolarHBondContact O-N 2.98Å; R337-A339 VanDerWaalsContact C-N 3.35Å; R337-A339 PolarHBondContact O-N 2.82Å; R337-Y340 WeakPolarHBondContact O-CB 3.38Å; R337-Y340 PolarHBondContact O-N 2.93Å; R337-E341 HydrophobicContact CG-CG 4.46Å; R337-E341 VanDerWaalsContact CG-OE1 3.24Å; R337-E341 WeakPolarHBondContact CG-OE1 3.42Å; R337-E341 WeakPolarHBondContact O-CG 3.49Å; R337-E341 PolarHBondContact O-N 3.03Å; R337-E362 IonicContact NH1-OE1 2.97Å
338	R	95.4	Very high	95.1	Very high	16 Å²	16	17.8 Å²	17.8	6%	0.06	8%	0.079	C	C	.	.	H	α-helix	trans	-62.5	-42	176.7	-69.3	-175.7	70.5	75.4	7.4	111.8	D295 E334 R335 E341 A342 S419 Y420	D295-R338 IonicContact OD1-CZ 3.89Å; D295-R338 IonicContact OD1-NE 2.86Å; D295-R338 PolarHBondContact OD1-NE 3.16Å; D295-R338 IonicContact OD1-NH2 2.87Å; D295-R338 IonicContact OD2-CZ 3.87Å; D295-R338 IonicContact OD2-NE 2.65Å; D295-R338 PolarHBondContact OD2-NE 3.45Å; D295-R338 IonicContact OD2-NH2 2.78Å; D295-R338 PolarHBondContact OD2-NH2 2.84Å; E334-R338 WeakPolarHBondContact O-CG 3.24Å; E334-R338 PolarHBondContact O-N 2.77Å; R335-R338 PolarHBondContact O-N 2.9Å; R335-R338 VanDerWaalsContact O-N 3.11Å; R338-E341 PolarHBondContact O-N 3.26Å; R338-A342 WeakPolarHBondContact O-CB 3.42Å; R338-A342 PolarHBondContact O-N 2.8Å; R338-S419 PolarHBondContact NH2-OG 3.28Å; R338-S419 VanDerWaalsContact NH2-OG 3.09Å; R338-Y420 WeakPolarHBondContact CA-OH 3.36Å; R338-Y420 HydrophobicContact CB-CE1 4.41Å; R338-Y420 WeakPolarHBondContact CG-OH 3.37Å; R338-Y420 WeakPolarHBondContact O-CE1 3.46Å
339	A	96.2	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-44.7	175.2	0	0	0	0	0	111.5	E298 C302 F308 M331 R335 A336 R337 A342 L343	E298-A339 HydrophobicContact CB-CB 4.46Å; C302-A339 HydrophobicContact CB-CB 4.08Å; F308-A339 HydrophobicContact CE1-CB 4.33Å; M331-A339 HydrophobicContact CE-CB 4.19Å; R335-A339 PolarHBondContact O-N 2.69Å; A336-A339 PolarHBondContact O-N 2.72Å; R337-A339 VanDerWaalsContact C-N 3.35Å; R337-A339 PolarHBondContact O-N 2.82Å; A339-A342 PolarHBondContact O-N 3.45Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 VanDerWaalsContact O-CG 3.32Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.12Å
340	Y	96.9	Very high	94.4	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-56.1	-51	173.3	153.4	-100.9	0	0	0	111.7	L313 G316 F317 M321 A336 R337 A342 L343 R344 E362	L313-Y340 HydrophobicContact CD2-CD2 3.75Å; L313-Y340 HydrophobicContact CD2-CE2 4.3Å; L313-Y340 WeakPolarHBondContact O-CE2 3.29Å; G316-Y340 VanDerWaalsContact CA-OH 3.24Å; G316-Y340 WeakPolarHBondContact CA-OH 3.28Å; F317-Y340 HydrophobicContact CB-CD1 3.63Å; F317-Y340 HydrophobicContact CB-CE1 3.82Å; F317-Y340 HydrophobicContact CB-CG 4.14Å; F317-Y340 HydrophobicContact CD2-CD1 4Å; F317-Y340 AromaticContact CD2-CG 3.91Å; F317-Y340 HydrophobicContact CD2-CG 3.91Å; F317-Y340 HydrophobicContact CG-CD1 4.25Å; M321-Y340 HydrophobicContact CE-CD2 3.97Å; M321-Y340 HydrophobicContact CE-CE2 4.41Å; M321-Y340 HydrophobicContact SD-CD2 3.7Å; M321-Y340 HydrophobicContact SD-CE2 4.49Å; M321-Y340 HydrophobicContact SD-CG 4.15Å; A336-Y340 PolarHBondContact O-N 2.81Å; R337-Y340 WeakPolarHBondContact O-CB 3.38Å; R337-Y340 PolarHBondContact O-N 2.93Å; Y340-A342 VanDerWaalsContact C-N 3.34Å; Y340-A342 PolarHBondContact O-N 3.19Å; Y340-L343 PolarHBondContact O-N 3.44Å; Y340-R344 HydrophobicContact CE2-CB 4.06Å; Y340-R344 HydrophobicContact CE2-CG 4.38Å; Y340-R344 VanDerWaalsContact O-CB 3.26Å; Y340-R344 WeakPolarHBondContact O-CB 3.46Å; Y340-R344 PolarHBondContact O-N 3.33Å; Y340-E362 WeakPolarHBondContact CE1-OE1 3.29Å; Y340-E362 PolarHBondContact OH-OE1 2.95Å; Y340-E362 PolarHBondContact OH-OE2 2.8Å
341	E	95.9	Very high	94.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-39.2	-176.9	-72.5	173.6	-157.7	0	0	112	R337 R338 L345 F359 L363 R366 Y420	R337-E341 HydrophobicContact CG-CG 4.46Å; R337-E341 VanDerWaalsContact CG-OE1 3.24Å; R337-E341 WeakPolarHBondContact CG-OE1 3.42Å; R337-E341 WeakPolarHBondContact O-CG 3.49Å; R337-E341 PolarHBondContact O-N 3.03Å; R338-E341 PolarHBondContact O-N 3.26Å; E341-L345 WeakPolarHBondContact O-CB 3.43Å; E341-L345 PolarHBondContact O-N 2.88Å; E341-F359 HydrophobicContact CB-CE2 4.1Å; E341-F359 HydrophobicContact CB-CZ 4.2Å; E341-F359 HydrophobicContact CG-CE2 4.22Å; E341-L363 VanDerWaalsContact OE2-CD1 3.26Å; E341-L363 WeakPolarHBondContact OE2-CD1 3.5Å; E341-R366 WeakPolarHBondContact OE1-CD 3.32Å; E341-R366 IonicContact OE1-CZ 3.47Å; E341-R366 IonicContact OE1-NE 3.28Å; E341-R366 IonicContact OE1-NH1 2.67Å; E341-R366 PolarHBondContact OE1-NH1 3.21Å; E341-R366 IonicContact OE2-CZ 3.66Å; E341-R366 IonicContact OE2-NH1 2.67Å; E341-R366 PolarHBondContact OE2-NH1 3.42Å; E341-Y420 HydrophobicContact CB-CE1 4.17Å; E341-Y420 HydrophobicContact CB-CE2 4.11Å; E341-Y420 WeakPolarHBondContact OE2-CE2 3.31Å; E341-Y420 VanDerWaalsContact OE2-CZ 3.26Å; E341-Y420 PolarHBondContact OE2-OH 3.4Å
342	A	95	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-49.7	174.4	0	0	0	0	0	111.5	A299 R338 A339 Y340 L345 V346 Y420 V423	A299-A342 HydrophobicContact CB-CB 4.1Å; R338-A342 WeakPolarHBondContact O-CB 3.42Å; R338-A342 PolarHBondContact O-N 2.8Å; A339-A342 PolarHBondContact O-N 3.45Å; Y340-A342 VanDerWaalsContact C-N 3.34Å; Y340-A342 PolarHBondContact O-N 3.19Å; A342-L345 PolarHBondContact O-N 2.95Å; A342-V346 WeakPolarHBondContact O-CG2 3.45Å; A342-V346 PolarHBondContact O-N 3.18Å; A342-Y420 HydrophobicContact CB-CD1 4.04Å; A342-Y420 HydrophobicContact CB-CE1 4.3Å; A342-V423 HydrophobicContact CB-CG1 4.01Å
343	L	95.1	Very high	93.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-39.5	178.9	-69.3	170.6	0	0	0	112.2	A299 C302 F308 L313 A339 Y340 L345 V346 Q347 E431	A299-L343 HydrophobicContact CB-CD2 4.34Å; A299-L343 HydrophobicContact CB-CG 4.18Å; C302-L343 HydrophobicContact CB-CD1 4.1Å; F308-L343 HydrophobicContact CB-CD1 4.25Å; F308-L343 HydrophobicContact CD1-CD1 3.84Å; F308-L343 HydrophobicContact CG-CD1 4.44Å; L313-L343 HydrophobicContact CD1-CB 3.81Å; L313-L343 HydrophobicContact CD2-CB 4.17Å; A339-L343 WeakPolarHBondContact O-CB 3.4Å; A339-L343 VanDerWaalsContact O-CG 3.32Å; A339-L343 WeakPolarHBondContact O-CG 3.41Å; A339-L343 PolarHBondContact O-N 3.12Å; Y340-L343 PolarHBondContact O-N 3.44Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 3.03Å; L343-V346 WeakPolarHBondContact O-CB 3.34Å; L343-V346 PolarHBondContact O-N 2.86Å; L343-Q347 PolarHBondContact O-N 2.85Å; L343-E431 HydrophobicContact CD2-CG 4.36Å
344	R	95.2	Very high	93	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-42.8	174.8	180	55.1	172.9	162.4	4.7	110.7	L313 K314 Y340 Q347 I348 D355 F359	L313-R344 WeakPolarHBondContact O-CD 3.45Å; K314-R344 VanDerWaalsContact CB-NH1 3.28Å; Y340-R344 HydrophobicContact CE2-CB 4.06Å; Y340-R344 HydrophobicContact CE2-CG 4.38Å; Y340-R344 VanDerWaalsContact O-CB 3.26Å; Y340-R344 WeakPolarHBondContact O-CB 3.46Å; Y340-R344 PolarHBondContact O-N 3.33Å; R344-Q347 PolarHBondContact O-N 3.4Å; R344-I348 HydrophobicContact CG-CD1 3.98Å; R344-I348 VanDerWaalsContact O-CG1 3.26Å; R344-I348 WeakPolarHBondContact O-CG1 3.44Å; R344-I348 PolarHBondContact O-N 3.26Å; R344-D355 IonicContact CZ-OD2 3.49Å; R344-D355 IonicContact NH1-OD2 3.98Å; R344-D355 VanDerWaalsContact NH2-CB 3.3Å; R344-D355 IonicContact NH2-OD2 3.71Å; R344-D355 PolarHBondContact NH2-OD2 2.83Å; R344-F359 HydrophobicContact CB-CD2 4.3Å; R344-F359 HydrophobicContact CB-CE2 4.16Å; R344-F359 HydrophobicContact CG-CD2 3.62Å; R344-F359 HydrophobicContact CG-CE2 3.99Å; R344-F359 HydrophobicContact CG-CG 4.43Å
345	L	93.7	Very high	92.7	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-35.6	177.1	-172.8	57	0	0	0	112.8	E341 A342 L343 I348 R349 F359 L421 V424	E341-L345 WeakPolarHBondContact O-CB 3.43Å; E341-L345 PolarHBondContact O-N 2.88Å; A342-L345 PolarHBondContact O-N 2.95Å; L343-L345 VanDerWaalsContact C-N 3.31Å; L343-L345 PolarHBondContact O-N 3.03Å; L345-I348 PolarHBondContact O-N 2.92Å; L345-R349 WeakPolarHBondContact O-CG 3.31Å; L345-R349 PolarHBondContact O-N 3.22Å; L345-R349 VanDerWaalsContact O-N 3.09Å; L345-F359 HydrophobicContact CB-CE1 4.09Å; L345-F359 HydrophobicContact CB-CZ 4.1Å; L345-F359 HydrophobicContact CD1-CD1 4.18Å; L345-F359 HydrophobicContact CD1-CE1 3.91Å; L345-F359 HydrophobicContact CD2-CE1 4.3Å; L345-F359 HydrophobicContact CG-CE1 4.32Å; L345-L421 HydrophobicContact CD2-CD2 4.42Å; L345-V424 HydrophobicContact CB-CG2 3.93Å; L345-V424 HydrophobicContact CD2-CG2 3.88Å; L345-V424 HydrophobicContact CG-CG2 3.9Å
346	V	92.9	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-49.1	170.1	174.2	0	0	0	0	110.4	A342 L343 I348 R349 R350 V424 L427	A342-V346 WeakPolarHBondContact O-CG2 3.45Å; A342-V346 PolarHBondContact O-N 3.18Å; L343-V346 WeakPolarHBondContact O-CB 3.34Å; L343-V346 PolarHBondContact O-N 2.86Å; V346-I348 PolarHBondContact O-N 2.82Å; V346-R349 PolarHBondContact O-N 3.28Å; V346-R350 WeakPolarHBondContact O-CG 3.41Å; V346-R350 PolarHBondContact O-N 3.36Å; V346-V424 HydrophobicContact CG2-CB 4.31Å; V346-V424 HydrophobicContact CG2-CG1 3.96Å; V346-V424 HydrophobicContact CG2-CG2 4Å; V346-L427 HydrophobicContact CG2-CB 3.7Å; V346-L427 HydrophobicContact CG2-CD1 4.05Å
347	Q	91.9	Very high	92.3	Very high	32 Å²	32	48.8 Å²	48.8	15%	0.15	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-44	-179	-175.1	57.1	33.8	0	0	112	L343 R344 R349 R350 D351	L343-Q347 PolarHBondContact O-N 2.85Å; R344-Q347 PolarHBondContact O-N 3.4Å; Q347-R349 VanDerWaalsContact C-N 3.3Å; Q347-R349 PolarHBondContact O-N 2.67Å; Q347-R350 WeakPolarHBondContact O-CB 3.46Å; Q347-R350 PolarHBondContact O-N 2.97Å; Q347-D351 VanDerWaalsContact NE2-CG 3.27Å; Q347-D351 PolarHBondContact NE2-OD1 3.28Å; Q347-D351 PolarHBondContact NE2-OD2 3.08Å; Q347-D351 WeakPolarHBondContact O-CB 3.18Å; Q347-D351 PolarHBondContact O-N 2.98Å
348	I	92.8	Very high	92	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-58.1	-42.7	176.8	-73.3	169.1	0	0	0	111.3	R344 L345 V346 D351 N352 G353 V356 F359	R344-I348 HydrophobicContact CG-CD1 3.98Å; R344-I348 VanDerWaalsContact O-CG1 3.26Å; R344-I348 WeakPolarHBondContact O-CG1 3.44Å; R344-I348 PolarHBondContact O-N 3.26Å; L345-I348 PolarHBondContact O-N 2.92Å; V346-I348 PolarHBondContact O-N 2.82Å; I348-D351 CarbonylContact O-C 3.54Å; I348-D351 PolarHBondContact O-N 3.5Å; I348-N352 PolarHBondContact O-N 2.89Å; I348-G353 WeakPolarHBondContact O-CA 3.4Å; I348-G353 PolarHBondContact O-N 3.09Å; I348-V356 HydrophobicContact CG2-CB 4.3Å; I348-V356 HydrophobicContact CG2-CG2 3.23Å; I348-F359 HydrophobicContact CD1-CB 3.36Å; I348-F359 HydrophobicContact CD1-CD1 4.13Å; I348-F359 HydrophobicContact CD1-CD2 4.22Å; I348-F359 HydrophobicContact CD1-CG 3.64Å
349	R	90.5	Very high	91.9	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	25%	0.25	S	S	.	.	H	α-helix	trans	-67.3	-39.8	177.8	-74.1	177.8	62.8	131.6	-11.4	112.6	L345 V346 Q347 D351 N352 E428	L345-R349 WeakPolarHBondContact O-CG 3.31Å; L345-R349 PolarHBondContact O-N 3.22Å; L345-R349 VanDerWaalsContact O-N 3.09Å; V346-R349 PolarHBondContact O-N 3.28Å; Q347-R349 VanDerWaalsContact C-N 3.3Å; Q347-R349 PolarHBondContact O-N 2.67Å; R349-D351 VanDerWaalsContact C-N 3.26Å; R349-D351 PolarHBondContact O-N 3.41Å; R349-N352 PolarHBondContact O-N 2.95Å; R349-E428 WeakPolarHBondContact CB-OE1 3.47Å; R349-E428 WeakPolarHBondContact CD-OE1 3.48Å; R349-E428 IonicContact CZ-OE1 2.76Å; R349-E428 IonicContact CZ-OE2 2.63Å; R349-E428 VanDerWaalsContact CZ-OE2 3.28Å; R349-E428 IonicContact NE-OE1 3.21Å; R349-E428 PolarHBondContact NE-OE1 2.9Å; R349-E428 IonicContact NE-OE2 2.88Å; R349-E428 PolarHBondContact NE-OE2 2.97Å; R349-E428 IonicContact NH2-OE1 2.79Å; R349-E428 PolarHBondContact NH2-OE1 3.35Å; R349-E428 IonicContact NH2-OE2 3.84Å; R349-E428 PolarHBondContact NH2-OE2 2.77Å
350	R	88.5	Confident	91.8	Very high	104 Å²	104	52.1 Å²	52.1	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-35.5	172.7	-71.1	176.8	177.3	167.3	1.8	112.4	V346 Q347 N352 E431	V346-R350 WeakPolarHBondContact O-CG 3.41Å; V346-R350 PolarHBondContact O-N 3.36Å; Q347-R350 WeakPolarHBondContact O-CB 3.46Å; Q347-R350 PolarHBondContact O-N 2.97Å; R350-N352 PolarHBondContact O-N 3.05Å; R350-E431 IonicContact CZ-OE2 3.79Å; R350-E431 VanDerWaalsContact CZ-OE2 3.22Å; R350-E431 IonicContact NH1-OE2 3.48Å; R350-E431 PolarHBondContact NH1-OE2 2.75Å; R350-E431 IonicContact NH2-OE2 3.43Å; R350-E431 PolarHBondContact NH2-OE2 3.01Å
351	D	89.5	Confident	91.6	Very high	58 Å²	58	56.2 Å²	56.2	31%	0.31	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	20.1	177.9	-66.4	-26.9	0	0	0	113.4	Q347 I348 R349 G353 R354	Q347-D351 VanDerWaalsContact NE2-CG 3.27Å; Q347-D351 PolarHBondContact NE2-OD1 3.28Å; Q347-D351 PolarHBondContact NE2-OD2 3.08Å; Q347-D351 WeakPolarHBondContact O-CB 3.18Å; Q347-D351 PolarHBondContact O-N 2.98Å; I348-D351 CarbonylContact O-C 3.54Å; I348-D351 PolarHBondContact O-N 3.5Å; R349-D351 VanDerWaalsContact C-N 3.26Å; R349-D351 PolarHBondContact O-N 3.41Å; D351-G353 VanDerWaalsContact C-N 3.26Å; D351-G353 PolarHBondContact O-N 2.86Å; D351-R354 HydrophobicContact CB-CB 3.94Å; D351-R354 PolarHBondContact O-N 2.77Å
352	N	87.8	Confident	91.4	Very high	160 Å²	160	58.2 Å²	58.2	86%	0.856	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	33.9	-179	-63.1	-54.4	0	0	0	114.2	I348 R349 R350	I348-N352 PolarHBondContact O-N 2.89Å; R349-N352 PolarHBondContact O-N 2.95Å; R350-N352 PolarHBondContact O-N 3.05Å
353	G	84.8	Confident	91.3	Very high	33 Å²	33	58.3 Å²	58.3	34%	0.34	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	17.5	178.1	0	0	0	0	0	114.6	I348 D351 D355 V356	I348-G353 WeakPolarHBondContact O-CA 3.4Å; I348-G353 PolarHBondContact O-N 3.09Å; D351-G353 VanDerWaalsContact C-N 3.26Å; D351-G353 PolarHBondContact O-N 2.86Å; G353-D355 PolarHBondContact O-N 3Å; G353-V356 VanDerWaalsContact CA-CG2 3.43Å; G353-V356 WeakPolarHBondContact O-CG2 3.31Å; G353-V356 PolarHBondContact O-N 3.48Å
354	R	87.2	Confident	91.2	Very high	171 Å²	171	61.4 Å²	61.4	65%	0.645	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	133.5	168.4	-167.3	-177.3	-65.1	175	1.5	109.2	D351 V356	D351-R354 HydrophobicContact CB-CB 3.94Å; D351-R354 PolarHBondContact O-N 2.77Å; R354-V356 VanDerWaalsContact C-N 3.31Å; R354-V356 PolarHBondContact O-N 2.82Å
355	D	88.4	Confident	91.1	Very high	59 Å²	59	69 Å²	69	32%	0.316	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	15.9	-178.8	-44.3	-24.2	0	0	0	116.1	R344 G353 D357 D358 F359	R344-D355 IonicContact CZ-OD2 3.49Å; R344-D355 IonicContact NH1-OD2 3.98Å; R344-D355 VanDerWaalsContact NH2-CB 3.3Å; R344-D355 IonicContact NH2-OD2 3.71Å; R344-D355 PolarHBondContact NH2-OD2 2.83Å; G353-D355 PolarHBondContact O-N 3Å; D355-D357 VanDerWaalsContact C-N 3.3Å; D355-D357 PolarHBondContact O-N 2.81Å; D355-D358 PolarHBondContact O-N 2.74Å; D355-F359 PolarHBondContact O-N 2.84Å; D355-F359 VanDerWaalsContact O-N 3.1Å
356	V	91	Very high	90.9	Very high	66 Å²	66	70 Å²	70	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-56.5	-44	176.5	170	0	0	0	0	111.7	I348 G353 R354 D358 F359 D360	I348-V356 HydrophobicContact CG2-CB 4.3Å; I348-V356 HydrophobicContact CG2-CG2 3.23Å; G353-V356 VanDerWaalsContact CA-CG2 3.43Å; G353-V356 WeakPolarHBondContact O-CG2 3.31Å; G353-V356 PolarHBondContact O-N 3.48Å; R354-V356 VanDerWaalsContact C-N 3.31Å; R354-V356 PolarHBondContact O-N 2.82Å; V356-D358 VanDerWaalsContact C-N 3.33Å; V356-D358 PolarHBondContact O-N 3.14Å; V356-F359 PolarHBondContact O-N 3.15Å; V356-D360 VanDerWaalsContact O-CB 3.27Å; V356-D360 WeakPolarHBondContact O-CB 3.45Å; V356-D360 PolarHBondContact O-N 2.89Å
357	D	92.3	Very high	90.8	Very high	126 Å²	126	70.3 Å²	70.3	67%	0.674	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-37.2	-177.6	-66.6	-31.9	0	0	0	112	D355 D360 M361	D355-D357 VanDerWaalsContact C-N 3.3Å; D355-D357 PolarHBondContact O-N 2.81Å; D357-D360 PolarHBondContact O-N 3.32Å; D357-M361 WeakPolarHBondContact O-CB 3.46Å; D357-M361 VanDerWaalsContact O-CG 3.25Å; D357-M361 WeakPolarHBondContact O-CG 3.46Å; D357-M361 PolarHBondContact O-N 3.19Å
358	D	91.9	Very high	90.7	Very high	111 Å²	111	74.9 Å²	74.9	59%	0.594	35%	0.351	S	S	*	.	H	α-helix	trans	-67.7	-43.7	177.4	-72.5	-27.8	0	0	0	111.2	D355 V356 M361 E362	D355-D358 PolarHBondContact O-N 2.74Å; V356-D358 VanDerWaalsContact C-N 3.33Å; V356-D358 PolarHBondContact O-N 3.14Å; D358-M361 PolarHBondContact O-N 2.79Å; D358-E362 PolarHBondContact O-N 3.07Å
359	F	92.7	Very high	90.5	Very high	7 Å²	7	77.3 Å²	77.3	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-42.3	175.6	177.3	-105.8	0	0	0	112.1	E341 R344 L345 I348 D355 V356 M361 E362 L363	E341-F359 HydrophobicContact CB-CE2 4.1Å; E341-F359 HydrophobicContact CB-CZ 4.2Å; E341-F359 HydrophobicContact CG-CE2 4.22Å; R344-F359 HydrophobicContact CB-CD2 4.3Å; R344-F359 HydrophobicContact CB-CE2 4.16Å; R344-F359 HydrophobicContact CG-CD2 3.62Å; R344-F359 HydrophobicContact CG-CE2 3.99Å; R344-F359 HydrophobicContact CG-CG 4.43Å; L345-F359 HydrophobicContact CB-CE1 4.09Å; L345-F359 HydrophobicContact CB-CZ 4.1Å; L345-F359 HydrophobicContact CD1-CD1 4.18Å; L345-F359 HydrophobicContact CD1-CE1 3.91Å; L345-F359 HydrophobicContact CD2-CE1 4.3Å; L345-F359 HydrophobicContact CG-CE1 4.32Å; I348-F359 HydrophobicContact CD1-CB 3.36Å; I348-F359 HydrophobicContact CD1-CD1 4.13Å; I348-F359 HydrophobicContact CD1-CD2 4.22Å; I348-F359 HydrophobicContact CD1-CG 3.64Å; D355-F359 PolarHBondContact O-N 2.84Å; D355-F359 VanDerWaalsContact O-N 3.1Å; V356-F359 PolarHBondContact O-N 3.15Å; F359-M361 VanDerWaalsContact C-N 3.31Å; F359-M361 PolarHBondContact O-N 3.08Å; F359-E362 PolarHBondContact O-N 3.12Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 PolarHBondContact O-N 2.79Å
360	D	92.8	Very high	90.4	Very high	28 Å²	28	76.3 Å²	76.3	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-57.2	-46.4	174.2	174.1	51	0	0	0	111.1	V356 D357 E362 L363 K364 Y413	V356-D360 VanDerWaalsContact O-CB 3.27Å; V356-D360 WeakPolarHBondContact O-CB 3.45Å; V356-D360 PolarHBondContact O-N 2.89Å; D357-D360 PolarHBondContact O-N 3.32Å; D360-E362 PolarHBondContact O-N 3.4Å; D360-L363 PolarHBondContact O-N 3.12Å; D360-K364 WeakPolarHBondContact O-CB 3.34Å; D360-K364 WeakPolarHBondContact O-CG 3.17Å; D360-K364 PolarHBondContact O-N 3.38Å; D360-K364 WeakPolarHBondContact OD1-CE 3.32Å; D360-K364 IonicContact OD1-NZ 3.33Å; D360-K364 PolarHBondContact OD1-NZ 3.29Å; D360-K364 VanDerWaalsContact OD2-CE 3.26Å; D360-K364 WeakPolarHBondContact OD2-CE 3.35Å; D360-K364 IonicContact OD2-NZ 2.76Å; D360-K364 PolarHBondContact OD2-NZ 3.11Å; D360-Y413 WeakPolarHBondContact OD1-CE2 3.21Å; D360-Y413 PolarHBondContact OD1-OH 3.34Å
361	M	93	Very high	90.2	Very high	88 Å²	88	71.9 Å²	71.9	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176.4	-74.1	-61.9	-66.2	0	0	112.8	D357 D358 F359 K364 R365	D357-M361 WeakPolarHBondContact O-CB 3.46Å; D357-M361 VanDerWaalsContact O-CG 3.25Å; D357-M361 WeakPolarHBondContact O-CG 3.46Å; D357-M361 PolarHBondContact O-N 3.19Å; D358-M361 PolarHBondContact O-N 2.79Å; F359-M361 VanDerWaalsContact C-N 3.31Å; F359-M361 PolarHBondContact O-N 3.08Å; M361-K364 HydrophobicContact SD-CD 4.44Å; M361-R365 WeakPolarHBondContact O-CB 3.49Å; M361-R365 VanDerWaalsContact O-CG 3.23Å; M361-R365 WeakPolarHBondContact O-CG 3.3Å; M361-R365 PolarHBondContact O-N 3.28Å
362	E	92.6	Very high	89.9	Confident	43 Å²	43	77.8 Å²	77.8	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-49.2	173.3	-172.8	-178.1	-179.3	0	0	111.2	R337 Y340 D358 F359 D360 K364 R365 R366	R337-E362 IonicContact NH1-OE1 2.97Å; Y340-E362 WeakPolarHBondContact CE1-OE1 3.29Å; Y340-E362 PolarHBondContact OH-OE1 2.95Å; Y340-E362 PolarHBondContact OH-OE2 2.8Å; D358-E362 PolarHBondContact O-N 3.07Å; F359-E362 PolarHBondContact O-N 3.12Å; D360-E362 PolarHBondContact O-N 3.4Å; E362-K364 PolarHBondContact O-N 3.5Å; E362-R365 PolarHBondContact O-N 3.32Å; E362-R366 PolarHBondContact O-N 2.89Å
363	L	92.7	Very high	89.5	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-44	-179.5	-169.4	64.2	0	0	0	111.4	E341 F359 D360 R365 R366 V367 Y413 L416 L417 Y420	E341-L363 VanDerWaalsContact OE2-CD1 3.26Å; E341-L363 WeakPolarHBondContact OE2-CD1 3.5Å; F359-L363 WeakPolarHBondContact O-CB 3.35Å; F359-L363 PolarHBondContact O-N 2.79Å; D360-L363 PolarHBondContact O-N 3.12Å; L363-R365 PolarHBondContact O-N 3.42Å; L363-R366 WeakPolarHBondContact O-CB 3.13Å; L363-R366 PolarHBondContact O-N 3.1Å; L363-V367 WeakPolarHBondContact O-CG2 3.2Å; L363-V367 PolarHBondContact O-N 3.46Å; L363-Y413 HydrophobicContact CB-CE2 4.24Å; L363-Y413 HydrophobicContact CD2-CD2 4.2Å; L363-Y413 HydrophobicContact CD2-CE2 3.77Å; L363-Y413 HydrophobicContact CG-CD2 4.2Å; L363-Y413 HydrophobicContact CG-CE2 4.05Å; L363-L416 HydrophobicContact CD1-CD2 3.42Å; L363-L416 VanDerWaalsContact CD1-CD2 3.42Å; L363-L416 HydrophobicContact CD1-CG 4.01Å; L363-L416 HydrophobicContact CG-CD2 4.13Å; L363-L417 HydrophobicContact CD2-CB 4.5Å; L363-L417 HydrophobicContact CD2-CD1 4.33Å; L363-Y420 HydrophobicContact CD1-CE2 4.09Å
364	K	93.1	Very high	89	Confident	67 Å²	67	73.5 Å²	73.5	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-46.3	174.2	-74.2	175.8	174.8	162.4	0	111.8	D360 M361 E362 R366 V367 Y368 F409 Y413	D360-K364 WeakPolarHBondContact O-CB 3.34Å; D360-K364 WeakPolarHBondContact O-CG 3.17Å; D360-K364 PolarHBondContact O-N 3.38Å; D360-K364 WeakPolarHBondContact OD1-CE 3.32Å; D360-K364 IonicContact OD1-NZ 3.33Å; D360-K364 PolarHBondContact OD1-NZ 3.29Å; D360-K364 VanDerWaalsContact OD2-CE 3.26Å; D360-K364 WeakPolarHBondContact OD2-CE 3.35Å; D360-K364 IonicContact OD2-NZ 2.76Å; D360-K364 PolarHBondContact OD2-NZ 3.11Å; M361-K364 HydrophobicContact SD-CD 4.44Å; E362-K364 PolarHBondContact O-N 3.5Å; K364-R366 VanDerWaalsContact C-N 3.28Å; K364-R366 PolarHBondContact O-N 3.32Å; K364-V367 PolarHBondContact O-N 2.9Å; K364-Y368 WeakPolarHBondContact O-CB 3.44Å; K364-Y368 PolarHBondContact O-N 3.39Å; K364-F409 HydrophobicContact CB-CE2 4.25Å; K364-F409 HydrophobicContact CB-CZ 3.81Å; K364-F409 HydrophobicContact CD-CZ 4.33Å; K364-F409 HydrophobicContact CG-CZ 3.74Å; K364-F409 WeakPolarHBondContact O-CE2 3.39Å; K364-Y413 HydrophobicContact CD-CE2 4.48Å; K364-Y413 HydrophobicContact CG-CD2 3.7Å; K364-Y413 HydrophobicContact CG-CE2 3.56Å
365	R	92.6	Very high	88.1	Confident	173 Å²	173	68.1 Å²	68.1	65%	0.653	34%	0.342	S	S	*	.	H	α-helix	trans	-59	-40.9	177.2	-74.6	171.7	-168.2	165.8	6.8	111.7	M361 E362 L363 Y368 A369	M361-R365 WeakPolarHBondContact O-CB 3.49Å; M361-R365 VanDerWaalsContact O-CG 3.23Å; M361-R365 WeakPolarHBondContact O-CG 3.3Å; M361-R365 PolarHBondContact O-N 3.28Å; E362-R365 PolarHBondContact O-N 3.32Å; L363-R365 PolarHBondContact O-N 3.42Å; R365-Y368 PolarHBondContact O-N 2.66Å; R365-A369 WeakPolarHBondContact O-CB 3.38Å; R365-A369 PolarHBondContact O-N 3Å
366	R	90.9	Very high	86.9	Confident	35 Å²	35	67.5 Å²	67.5	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-52	175.7	176.6	-172.7	174.8	-154.5	-1.8	111.9	E341 E362 L363 K364 Y368 A369 N370 Y420	E341-R366 WeakPolarHBondContact OE1-CD 3.32Å; E341-R366 IonicContact OE1-CZ 3.47Å; E341-R366 IonicContact OE1-NE 3.28Å; E341-R366 IonicContact OE1-NH1 2.67Å; E341-R366 PolarHBondContact OE1-NH1 3.21Å; E341-R366 IonicContact OE2-CZ 3.66Å; E341-R366 IonicContact OE2-NH1 2.67Å; E341-R366 PolarHBondContact OE2-NH1 3.42Å; E362-R366 PolarHBondContact O-N 2.89Å; L363-R366 WeakPolarHBondContact O-CB 3.13Å; L363-R366 PolarHBondContact O-N 3.1Å; K364-R366 VanDerWaalsContact C-N 3.28Å; K364-R366 PolarHBondContact O-N 3.32Å; R366-Y368 VanDerWaalsContact C-N 3.26Å; R366-Y368 PolarHBondContact O-N 3.32Å; R366-A369 PolarHBondContact O-N 3.01Å; R366-N370 PolarHBondContact O-N 2.69Å; R366-N370 PolarHBondContact O-OD1 3.3Å; R366-Y420 PolarHBondContact NH1-OH 2.8Å
367	V	90.8	Very high	85.3	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-43	-179.7	175.6	0	0	0	0	110.4	L363 K364 N370 I371 F409 R412 L416	L363-V367 WeakPolarHBondContact O-CG2 3.2Å; L363-V367 PolarHBondContact O-N 3.46Å; K364-V367 PolarHBondContact O-N 2.9Å; V367-N370 PolarHBondContact O-N 3.43Å; V367-I371 HydrophobicContact CG1-CD1 3.97Å; V367-I371 WeakPolarHBondContact O-CG1 3.21Å; V367-I371 PolarHBondContact O-N 3.43Å; V367-F409 HydrophobicContact CB-CD2 4.28Å; V367-F409 HydrophobicContact CB-CE2 4.15Å; V367-F409 HydrophobicContact CG1-CD2 3.81Å; V367-F409 HydrophobicContact CG1-CE2 4.16Å; V367-R412 HydrophobicContact CG1-CB 3.79Å; V367-L416 HydrophobicContact CG2-CD2 3.8Å
368	Y	89.8	Confident	83.5	Confident	128 Å²	128	69.3 Å²	69.3	50%	0.502	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177.4	-167.6	-92	0	0	0	112.4	K364 R365 R366 N370 I371 R372 F409	K364-Y368 WeakPolarHBondContact O-CB 3.44Å; K364-Y368 PolarHBondContact O-N 3.39Å; R365-Y368 PolarHBondContact O-N 2.66Å; R366-Y368 VanDerWaalsContact C-N 3.26Å; R366-Y368 PolarHBondContact O-N 3.32Å; Y368-N370 VanDerWaalsContact C-N 3.34Å; Y368-N370 PolarHBondContact O-N 2.94Å; Y368-I371 PolarHBondContact O-N 3.28Å; Y368-R372 WeakPolarHBondContact O-CB 3.47Å; Y368-R372 PolarHBondContact O-N 2.89Å; Y368-F409 HydrophobicContact CD2-CD2 4.34Å
369	A	88.2	Confident	81.6	Confident	54 Å²	54	69.6 Å²	69.6	45%	0.446	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-43.1	176	0	0	0	0	0	111.8	R365 R366 R372 A373	R365-A369 WeakPolarHBondContact O-CB 3.38Å; R365-A369 PolarHBondContact O-N 3Å; R366-A369 PolarHBondContact O-N 3.01Å; A369-R372 PolarHBondContact O-N 3.5Å; A369-A373 WeakPolarHBondContact O-CB 3.26Å; A369-A373 PolarHBondContact O-N 3.43Å
370	N	87.5	Confident	79.2	Confident	83 Å²	83	74.4 Å²	74.4	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-42.4	178	-73.2	4.2	0	0	0	112.4	R366 V367 Y368 R372 A373 C374	R366-N370 PolarHBondContact O-N 2.69Å; R366-N370 PolarHBondContact O-OD1 3.3Å; V367-N370 PolarHBondContact O-N 3.43Å; Y368-N370 VanDerWaalsContact C-N 3.34Å; Y368-N370 PolarHBondContact O-N 2.94Å; N370-R372 VanDerWaalsContact C-N 3.33Å; N370-A373 PolarHBondContact O-N 2.86Å; N370-C374 PolarHBondContact O-N 3.47Å; N370-C374 PolarHBondContact O-SG 3.11Å
371	I	84.1	Confident	76.7	Confident	11 Å²	11	79.7 Å²	79.7	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-45.8	176	-69.4	168.1	0	0	0	110	V367 Y368 A373 C374 T375 M408 F409	V367-I371 HydrophobicContact CG1-CD1 3.97Å; V367-I371 WeakPolarHBondContact O-CG1 3.21Å; V367-I371 PolarHBondContact O-N 3.43Å; Y368-I371 PolarHBondContact O-N 3.28Å; I371-A373 VanDerWaalsContact C-N 3.35Å; I371-A373 PolarHBondContact O-N 3.4Å; I371-C374 PolarHBondContact O-N 3.05Å; I371-T375 PolarHBondContact O-N 3.32Å; I371-T375 PolarHBondContact O-OG1 2.8Å; I371-M408 HydrophobicContact CD1-CB 4.4Å; I371-F409 VanDerWaalsContact CD1-CA 3.43Å; I371-F409 HydrophobicContact CD1-CB 3.86Å; I371-F409 HydrophobicContact CD1-CD2 4.37Å
372	R	83.2	Confident	74	Confident	183 Å²	183	83.9 Å²	83.9	69%	0.691	43%	0.426	S	S	*	.	H	α-helix	trans	-64.2	-38.4	-179.9	-170	179.5	-178.9	-177.9	0.4	112.7	Y368 A369 N370 T375 A376	Y368-R372 WeakPolarHBondContact O-CB 3.47Å; Y368-R372 PolarHBondContact O-N 2.89Å; A369-R372 PolarHBondContact O-N 3.5Å; N370-R372 VanDerWaalsContact C-N 3.33Å; R372-T375 PolarHBondContact O-N 3.47Å; R372-A376 WeakPolarHBondContact O-CB 3.34Å; R372-A376 PolarHBondContact O-N 2.67Å
373	A	80.4	Confident	71.2	Confident	50 Å²	50	89.7 Å²	89.7	41%	0.413	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-50.1	174.9	0	0	0	0	0	111	A369 N370 I371 T375 A376 D377	A369-A373 WeakPolarHBondContact O-CB 3.26Å; A369-A373 PolarHBondContact O-N 3.43Å; N370-A373 PolarHBondContact O-N 2.86Å; I371-A373 VanDerWaalsContact C-N 3.35Å; I371-A373 PolarHBondContact O-N 3.4Å; A373-T375 PolarHBondContact O-N 2.74Å; A373-A376 WeakPolarHBondContact O-CB 3.16Å; A373-A376 PolarHBondContact O-N 2.84Å; A373-D377 PolarHBondContact O-N 2.86Å
374	C	73.1	Confident	68.2	Low	53 Å²	53	97.9 Å²	97.9	36%	0.358	50%	0.496	S	S	.	.	H	α-helix	trans	-60.2	-29.2	175.8	-65.1	0	0	0	0	113.5	N370 I371 R378	N370-C374 PolarHBondContact O-N 3.47Å; N370-C374 PolarHBondContact O-SG 3.11Å; I371-C374 PolarHBondContact O-N 3.05Å; C374-R378 WeakPolarHBondContact O-CG 3.24Å
375	T	69.7	Low	65.2	Low	58 Å²	58	98.8 Å²	98.8	36%	0.356	51%	0.509	S	S	.	.	H	α-helix	trans	-77.6	-32.3	174.6	-55	0	0	0	0	112	I371 R372 A373	I371-T375 PolarHBondContact O-N 3.32Å; I371-T375 PolarHBondContact O-OG1 2.8Å; R372-T375 PolarHBondContact O-N 3.47Å; A373-T375 PolarHBondContact O-N 2.74Å
376	A	63.2	Low	62.2	Low	46 Å²	46	95 Å²	95	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-70.7	-44	177.4	0	0	0	0	0	111.6	R372 A373 R378 V379 D380	R372-A376 WeakPolarHBondContact O-CB 3.34Å; R372-A376 PolarHBondContact O-N 2.67Å; A373-A376 WeakPolarHBondContact O-CB 3.16Å; A373-A376 PolarHBondContact O-N 2.84Å; A376-R378 PolarHBondContact O-N 2.74Å; A376-R378 VanDerWaalsContact O-N 3.14Å; A376-V379 WeakPolarHBondContact O-CB 3.35Å; A376-V379 PolarHBondContact O-N 2.91Å; A376-D380 PolarHBondContact O-N 3.33Å
377	D	57.5	Low	59.4	Low	90 Å²	90	98.7 Å²	98.7	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-58.4	-29.7	176.9	-67.6	-18	0	0	0	112.1	A373 V379 D380	A373-D377 PolarHBondContact O-N 2.86Å; D377-V379 VanDerWaalsContact C-N 3.27Å; D377-V379 PolarHBondContact O-N 3.35Å; D377-D380 PolarHBondContact O-N 3.45Å
378	R	52.8	Low	56.9	Low	139 Å²	139	102.9 Å²	102.9	53%	0.525	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	-16.5	174.7	-71	175.8	123.2	124.4	1.6	114.6	C374 A376	C374-R378 WeakPolarHBondContact O-CG 3.24Å; A376-R378 PolarHBondContact O-N 2.74Å; A376-R378 VanDerWaalsContact O-N 3.14Å
379	V	52	Low	54.6	Low	118 Å²	118	101.1 Å²	101.1	72%	0.715	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-26.2	176.7	-178.8	0	0	0	0	110.5	A376 D377	A376-V379 WeakPolarHBondContact O-CB 3.35Å; A376-V379 PolarHBondContact O-N 2.91Å; D377-V379 VanDerWaalsContact C-N 3.27Å; D377-V379 PolarHBondContact O-N 3.35Å
380	D	44.1	Very low	52.3	Low	108 Å²	108	105.4 Å²	105.4	58%	0.578	57%	0.568	S	S	*	*			trans	-105.2	33.1	-173.7	-64.1	-32.3	0	0	0	112.6	A376 D377 D382 E383	A376-D380 PolarHBondContact O-N 3.33Å; D377-D380 PolarHBondContact O-N 3.45Å; D380-D382 PolarHBondContact O-N 3.42Å; D380-E383 PolarHBondContact O-N 2.8Å; D380-E383 VanDerWaalsContact O-N 3.14Å
381	D	40	Very low	50.2	Low	139 Å²	139	104.9 Å²	104.9	74%	0.743	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	6.9	178.1	-91.3	-24.1	0	0	0	114.9
382	D	36.6	Very low	48.4	Very low	176 Å²	176	105.7 Å²	105.7	94%	0.941	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-0.5	174.2	-80.4	-30.9	0	0	0	114.4	D380	D380-D382 PolarHBondContact O-N 3.42Å
383	E	33.6	Very low	46.3	Very low	165 Å²	165	99.1 Å²	99.1	77%	0.771	56%	0.555	S	S	*	*	S	Bend	trans	-129	122	178.2	-137.3	168.9	-166.4	0	0	111.5	D380 C385	D380-E383 PolarHBondContact O-N 2.8Å; D380-E383 VanDerWaalsContact O-N 3.14Å; E383-C385 PolarHBondContact O-N 3.45Å
384	I	28.1	Very low	44.3	Very low	173 Å²	173	100.4 Å²	100.4	89%	0.887	56%	0.561	S	S	*	*			trans	-57.9	95.9	-179.8	-62.2	169.7	0	0	0	108.5	S386	I384-S386 PolarHBondContact O-N 2.88Å
385	C	30.2	Very low	42.6	Very low	85 Å²	85	103.5 Å²	103.5	57%	0.574	57%	0.574	S	S	*	*			trans	-66.4	133.1	179.7	-132.3	0	0	0	0	109.4	E383 T387	E383-C385 PolarHBondContact O-N 3.45Å; C385-T387 PolarHBondContact O-N 2.98Å
386	S	29.8	Very low	41.1	Very low	94 Å²	94	105.2 Å²	105.2	66%	0.657	59%	0.588	S	S	*	*			trans	-51.6	122	178.1	47.7	0	0	0	0	111.1	I384 D388	I384-S386 PolarHBondContact O-N 2.88Å; S386-D388 PolarHBondContact O-N 3.4Å
387	T	33.6	Very low	39.7	Very low	112 Å²	112	107 Å²	107	69%	0.687	61%	0.611	S	S	*	*			trans	-72.1	25.4	-174.1	45	0	0	0	0	115.2	C385 D389	C385-T387 PolarHBondContact O-N 2.98Å; T387-D389 PolarHBondContact O-N 3.49Å
388	D	37.9	Very low	38.7	Very low	95 Å²	95	108.6 Å²	108.6	51%	0.508	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-29.6	-167.3	-80.3	-31.9	0	0	0	113.6	S386	S386-D388 PolarHBondContact O-N 3.4Å
389	D	40.8	Very low	38.3	Very low	91 Å²	91	107.7 Å²	107.7	49%	0.487	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-141.5	74.8	-177.2	-63.9	-48.3	0	0	0	111.9	T387 P391	T387-D389 PolarHBondContact O-N 3.49Å; D389-P391 WeakPolarHBondContact O-CD 3.38Å
390	E	40.7	Very low	38.3	Very low	144 Å²	144	103.9 Å²	103.9	67%	0.673	60%	0.601	S	S	*	*			trans	-56.5	123.3	158.9	-80.3	-71.5	160.2	0	0	108.3	D392	E390-D392 PolarHBondContact O-N 2.88Å
391	P	43.3	Very low	38.4	Very low	73 Å²	73	103.4 Å²	103.4	47%	0.474	61%	0.605	S	S	.	*			trans	-62.8	108.1	178.5	17.3	-24.3	0	0	0	110.1	D389 C393 S394	D389-P391 WeakPolarHBondContact O-CD 3.38Å; P391-C393 PolarHBondContact O-N 3.44Å; P391-S394 WeakPolarHBondContact CG-OG 3.45Å; P391-S394 PolarHBondContact O-N 2.83Å; P391-S394 PolarHBondContact O-OG 3.35Å
392	D	46.5	Very low	38.9	Very low	27 Å²	27	106 Å²	106	14%	0.144	62%	0.615	C	S	.	*	T	Hydrogen-bonded Turn	trans	-52.6	-12.5	178.1	-87.9	-30.4	0	0	0	114.2	P286 E390	P286-D392 WeakPolarHBondContact CG-O 3.45Å; E390-D392 PolarHBondContact O-N 2.88Å
393	C	37.4	Very low	40.3	Very low	45 Å²	45	103 Å²	103	30%	0.304	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.1	54.6	-178.4	-159.4	0	0	0	0	111.6	P391 L395	P391-C393 PolarHBondContact O-N 3.44Å; C393-L395 PolarHBondContact O-N 3.4Å; C393-L395 VanDerWaalsContact O-N 3.13Å
394	S	39.9	Very low	42.6	Very low	78 Å²	78	99.6 Å²	99.6	55%	0.545	58%	0.577	S	S	.	*			trans	-68.4	99.4	160.9	-58.4	0	0	0	0	108.7	P391 S396	P391-S394 WeakPolarHBondContact CG-OG 3.45Å; P391-S394 PolarHBondContact O-N 2.83Å; P391-S394 PolarHBondContact O-OG 3.35Å; S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 3.08Å
395	L	36.7	Very low	45.1	Very low	118 Å²	118	96.2 Å²	96.2	62%	0.618	56%	0.558	S	S	*	*			trans	-61.2	102.4	163	-70.3	170.3	0	0	0	107.1	C393 A415	C393-L395 PolarHBondContact O-N 3.4Å; C393-L395 VanDerWaalsContact O-N 3.13Å; L395-A415 HydrophobicContact CD1-CB 4.19Å
396	S	37.5	Very low	47.7	Very low	93 Å²	93	101.8 Å²	101.8	65%	0.65	57%	0.567	S	S	*	*			trans	49.8	112.4	170	56.2	0	0	0	0	117	S394 E398	S394-S396 VanDerWaalsContact C-N 3.33Å; S394-S396 PolarHBondContact O-N 3.08Å; S396-E398 PolarHBondContact O-N 3.46Å
397	G	34.6	Very low	50.4	Low	85 Å²	85	100.3 Å²	100.3	88%	0.876	55%	0.554	S	S	*	*			trans	-72.1	56	168.6	0	0	0	0	0	114
398	E	37	Very low	52.9	Low	123 Å²	123	96.1 Å²	96.1	58%	0.575	53%	0.527	S	S	*	.			trans	-67.1	135.2	164	-73.7	-171.8	158.5	0	0	109.3	S396 D400 R403	S396-E398 PolarHBondContact O-N 3.46Å; E398-D400 VanDerWaalsContact C-N 3.29Å; E398-D400 PolarHBondContact O-N 3.04Å; E398-R403 IonicContact OE2-NH2 3.27Å; E398-R403 PolarHBondContact OE2-NH2 3.5Å
399	V	44.6	Very low	55.3	Low	120 Å²	120	93.9 Å²	93.9	73%	0.727	51%	0.513	S	S	*	.			trans	-63.9	90.4	176	179.5	0	0	0	0	108.4	C401	V399-C401 PolarHBondContact O-N 3.24Å
400	D	50.9	Low	57.6	Low	38 Å²	38	95.7 Å²	95.7	20%	0.203	52%	0.516	C	S	.	.			trans	-71.9	63	-179.5	-95	-24.5	0	0	0	111.9	E398 R403	E398-D400 VanDerWaalsContact C-N 3.29Å; E398-D400 PolarHBondContact O-N 3.04Å; D400-R403 WeakPolarHBondContact OD1-CD 3.48Å; D400-R403 IonicContact OD1-CZ 2.72Å; D400-R403 IonicContact OD1-NE 3.22Å; D400-R403 PolarHBondContact OD1-NE 3.04Å; D400-R403 IonicContact OD1-NH1 3.74Å; D400-R403 IonicContact OD1-NH2 3.7Å
401	C	47.3	Very low	60	Low	97 Å²	97	93 Å²	93	66%	0.655	50%	0.504	S	S	*	.	S	Bend	trans	-87.7	109.9	167.1	57.7	0	0	0	0	108.8	V399	V399-C401 PolarHBondContact O-N 3.24Å
402	M	50.3	Low	62.3	Low	195 Å²	195	94.3 Å²	94.3	96%	0.961	50%	0.499	S	S	*	.	S	Bend	trans	95.6	17.4	173.1	-49.3	-171.5	174.5	0	0	120
403	R	65.7	Low	64.4	Low	112 Å²	112	94.8 Å²	94.8	42%	0.423	50%	0.499	S	S	.	.			trans	-83	137.6	169.6	-64.9	-168.2	-170.5	175.1	12.9	111.9	E398 D400 M408 E411	E398-R403 IonicContact OE2-NH2 3.27Å; E398-R403 PolarHBondContact OE2-NH2 3.5Å; D400-R403 WeakPolarHBondContact OD1-CD 3.48Å; D400-R403 IonicContact OD1-CZ 2.72Å; D400-R403 IonicContact OD1-NE 3.22Å; D400-R403 PolarHBondContact OD1-NE 3.04Å; D400-R403 IonicContact OD1-NH1 3.74Å; D400-R403 IonicContact OD1-NH2 3.7Å; R403-M408 HydrophobicContact CB-CG 3.68Å; R403-M408 HydrophobicContact CB-SD 3.93Å; R403-E411 IonicContact NH1-OE2 2.67Å
404	D	81.2	Confident	67	Low	93 Å²	93	97 Å²	97	50%	0.497	51%	0.506	S	S	.	.			trans	-65.9	132.5	172.5	172.9	27.4	0	0	0	110.4	R406 T407 M408	D404-R406 PolarHBondContact O-N 3.11Å; D404-R406 VanDerWaalsContact O-N 3.14Å; D404-R406 PolarHBondContact OD1-N 3.07Å; D404-R406 WeakPolarHBondContact OD2-CB 3.48Å; D404-T407 WeakPolarHBondContact O-CB 3.44Å; D404-T407 PolarHBondContact O-N 3.28Å; D404-M408 PolarHBondContact O-N 3.35Å
405	E	81.2	Confident	69.4	Low	103 Å²	103	95 Å²	95	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-52.7	-36.7	-179.8	-69	-175	166.7	0	0	112.5	T407 M408 F409	E405-T407 VanDerWaalsContact C-N 3.35Å; E405-M408 HydrophobicContact CB-CE 4.43Å; E405-M408 HydrophobicContact CG-CE 4.14Å; E405-F409 VanDerWaalsContact O-CB 3.23Å; E405-F409 WeakPolarHBondContact O-CB 3.16Å; E405-F409 PolarHBondContact O-N 3.44Å
406	R	84.6	Confident	71.9	Confident	202 Å²	202	90.5 Å²	90.5	76%	0.762	47%	0.471	S	S	*	.	H	α-helix	trans	-67.2	-36.8	178.2	-61.9	179.2	173.8	-175	-0.8	112.5	D404 K410	D404-R406 PolarHBondContact O-N 3.11Å; D404-R406 VanDerWaalsContact O-N 3.14Å; D404-R406 PolarHBondContact OD1-N 3.07Å; D404-R406 WeakPolarHBondContact OD2-CB 3.48Å; R406-K410 WeakPolarHBondContact O-CB 3.32Å; R406-K410 PolarHBondContact O-N 3.09Å
407	T	87.5	Confident	74.4	Confident	63 Å²	63	88.4 Å²	88.4	39%	0.387	45%	0.452	S	S	.	.	H	α-helix	trans	-70.1	-47.9	178.5	-58	0	0	0	0	109.7	D404 E405 F409 K410 E411	D404-T407 WeakPolarHBondContact O-CB 3.44Å; D404-T407 PolarHBondContact O-N 3.28Å; E405-T407 VanDerWaalsContact C-N 3.35Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 2.94Å; T407-K410 PolarHBondContact O-N 3.2Å; T407-E411 WeakPolarHBondContact O-CG 3.32Å; T407-E411 PolarHBondContact O-N 3.29Å
408	M	84.7	Confident	77.1	Confident	23 Å²	23	90.9 Å²	90.9	11%	0.113	44%	0.441	C	S	.	.	H	α-helix	trans	-57.2	-44.3	175	-66.7	-169.3	-72.6	0	0	112	I371 R403 D404 E405 E411 R412	I371-M408 HydrophobicContact CD1-CB 4.4Å; R403-M408 HydrophobicContact CB-CG 3.68Å; R403-M408 HydrophobicContact CB-SD 3.93Å; D404-M408 PolarHBondContact O-N 3.35Å; E405-M408 HydrophobicContact CB-CE 4.43Å; E405-M408 HydrophobicContact CG-CE 4.14Å; M408-E411 PolarHBondContact O-N 3.38Å; M408-R412 WeakPolarHBondContact O-CB 3.3Å; M408-R412 WeakPolarHBondContact O-CG 3.32Å; M408-R412 PolarHBondContact O-N 2.79Å
409	F	89.5	Confident	79.6	Confident	49 Å²	49	86.4 Å²	86.4	22%	0.215	42%	0.423	C	S	.	.	H	α-helix	trans	-57.7	-51.2	175.5	171.6	-95.6	0	0	0	112	K364 V367 Y368 I371 E405 T407 E411 Y413	K364-F409 HydrophobicContact CB-CE2 4.25Å; K364-F409 HydrophobicContact CB-CZ 3.81Å; K364-F409 HydrophobicContact CD-CZ 4.33Å; K364-F409 HydrophobicContact CG-CZ 3.74Å; K364-F409 WeakPolarHBondContact O-CE2 3.39Å; V367-F409 HydrophobicContact CB-CD2 4.28Å; V367-F409 HydrophobicContact CB-CE2 4.15Å; V367-F409 HydrophobicContact CG1-CD2 3.81Å; V367-F409 HydrophobicContact CG1-CE2 4.16Å; Y368-F409 HydrophobicContact CD2-CD2 4.34Å; I371-F409 VanDerWaalsContact CD1-CA 3.43Å; I371-F409 HydrophobicContact CD1-CB 3.86Å; I371-F409 HydrophobicContact CD1-CD2 4.37Å; E405-F409 VanDerWaalsContact O-CB 3.23Å; E405-F409 WeakPolarHBondContact O-CB 3.16Å; E405-F409 PolarHBondContact O-N 3.44Å; T407-F409 VanDerWaalsContact C-N 3.3Å; T407-F409 PolarHBondContact O-N 2.94Å; F409-E411 PolarHBondContact O-N 3.01Å; F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 2.86Å
410	K	89.6	Confident	81.8	Confident	128 Å²	128	80.7 Å²	80.7	56%	0.557	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-44.9	-178.1	-172.6	-178.2	175.9	-174.4	0	111.4	R406 T407 M414	R406-K410 WeakPolarHBondContact O-CB 3.32Å; R406-K410 PolarHBondContact O-N 3.09Å; T407-K410 PolarHBondContact O-N 3.2Å; K410-M414 HydrophobicContact CG-CE 4.03Å; K410-M414 HydrophobicContact CG-CG 4.44Å; K410-M414 HydrophobicContact CG-SD 4.01Å; K410-M414 WeakPolarHBondContact O-CB 3.22Å; K410-M414 WeakPolarHBondContact O-CG 3.48Å; K410-M414 PolarHBondContact O-N 3.37Å
411	E	90.8	Very high	83.7	Confident	88 Å²	88	82.2 Å²	82.2	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-51.8	179.2	-71.9	174	175.8	0	0	112	R403 T407 M408 F409 Y413 M414 A415	R403-E411 IonicContact NH1-OE2 2.67Å; T407-E411 WeakPolarHBondContact O-CG 3.32Å; T407-E411 PolarHBondContact O-N 3.29Å; M408-E411 PolarHBondContact O-N 3.38Å; F409-E411 PolarHBondContact O-N 3.01Å; E411-Y413 VanDerWaalsContact C-N 3.33Å; E411-Y413 PolarHBondContact O-N 2.83Å; E411-M414 PolarHBondContact O-N 3.4Å; E411-A415 WeakPolarHBondContact O-CB 3.26Å; E411-A415 PolarHBondContact O-N 3.38Å
412	R	90.1	Very high	85.5	Confident	100 Å²	100	78.5 Å²	78.5	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-40.4	179.7	-71.2	-175.7	-178.5	-164.5	0.4	111.9	V367 M408 L416	V367-R412 HydrophobicContact CG1-CB 3.79Å; M408-R412 WeakPolarHBondContact O-CB 3.3Å; M408-R412 WeakPolarHBondContact O-CG 3.32Å; M408-R412 PolarHBondContact O-N 2.79Å; R412-L416 WeakPolarHBondContact O-CB 3.4Å; R412-L416 PolarHBondContact O-N 2.91Å
413	Y	92	Very high	87.4	Confident	37 Å²	37	69.2 Å²	69.2	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-47.8	176.2	169.8	-91.9	0	0	0	111.9	D360 L363 K364 F409 E411 L416 L417	D360-Y413 WeakPolarHBondContact OD1-CE2 3.21Å; D360-Y413 PolarHBondContact OD1-OH 3.34Å; L363-Y413 HydrophobicContact CB-CE2 4.24Å; L363-Y413 HydrophobicContact CD2-CD2 4.2Å; L363-Y413 HydrophobicContact CD2-CE2 3.77Å; L363-Y413 HydrophobicContact CG-CD2 4.2Å; L363-Y413 HydrophobicContact CG-CE2 4.05Å; K364-Y413 HydrophobicContact CD-CE2 4.48Å; K364-Y413 HydrophobicContact CG-CD2 3.7Å; K364-Y413 HydrophobicContact CG-CE2 3.56Å; F409-Y413 WeakPolarHBondContact O-CB 3.48Å; F409-Y413 PolarHBondContact O-N 2.86Å; E411-Y413 VanDerWaalsContact C-N 3.33Å; E411-Y413 PolarHBondContact O-N 2.83Å; Y413-L416 PolarHBondContact O-N 3.45Å; Y413-L417 HydrophobicContact CE1-CD2 4.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.31Å; Y413-L417 PolarHBondContact O-N 3.21Å
414	M	91.5	Very high	88.5	Confident	91 Å²	91	63.9 Å²	63.9	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-44.5	178.9	-72.1	-177	-43.2	0	0	111.7	K410 E411 L416 L417 E418	K410-M414 HydrophobicContact CG-CE 4.03Å; K410-M414 HydrophobicContact CG-CG 4.44Å; K410-M414 HydrophobicContact CG-SD 4.01Å; K410-M414 WeakPolarHBondContact O-CB 3.22Å; K410-M414 WeakPolarHBondContact O-CG 3.48Å; K410-M414 PolarHBondContact O-N 3.37Å; E411-M414 PolarHBondContact O-N 3.4Å; M414-L416 VanDerWaalsContact C-N 3.32Å; M414-L416 PolarHBondContact O-N 2.86Å; M414-L417 PolarHBondContact O-N 3.05Å; M414-E418 WeakPolarHBondContact O-CB 3.14Å; M414-E418 PolarHBondContact O-N 3.32Å
415	A	89.5	Confident	88.8	Confident	36 Å²	36	63.2 Å²	63.2	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-40.3	177.8	0	0	0	0	0	112	L395 E411 S419	L395-A415 HydrophobicContact CD1-CB 4.19Å; E411-A415 WeakPolarHBondContact O-CB 3.26Å; E411-A415 PolarHBondContact O-N 3.38Å; A415-S419 WeakPolarHBondContact O-CB 3.36Å; A415-S419 PolarHBondContact O-N 3.29Å
416	L	90.6	Very high	89.1	Confident	24 Å²	24	63.9 Å²	63.9	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-44.4	176.8	-176.1	58.9	0	0	0	111.7	L363 V367 R412 Y413 M414 S419 Y420	L363-L416 HydrophobicContact CD1-CD2 3.42Å; L363-L416 VanDerWaalsContact CD1-CD2 3.42Å; L363-L416 HydrophobicContact CD1-CG 4.01Å; L363-L416 HydrophobicContact CG-CD2 4.13Å; V367-L416 HydrophobicContact CG2-CD2 3.8Å; R412-L416 WeakPolarHBondContact O-CB 3.4Å; R412-L416 PolarHBondContact O-N 2.91Å; Y413-L416 PolarHBondContact O-N 3.45Å; M414-L416 VanDerWaalsContact C-N 3.32Å; M414-L416 PolarHBondContact O-N 2.86Å; L416-S419 WeakPolarHBondContact O-CB 3.41Å; L416-S419 PolarHBondContact O-N 3.11Å; L416-Y420 HydrophobicContact CD1-CD2 4.11Å; L416-Y420 HydrophobicContact CD1-CE2 3.37Å; L416-Y420 HydrophobicContact CD2-CE2 4.26Å; L416-Y420 HydrophobicContact CG-CD2 4.06Å; L416-Y420 HydrophobicContact CG-CE2 3.55Å; L416-Y420 WeakPolarHBondContact O-CD2 3.38Å; L416-Y420 PolarHBondContact O-N 2.78Å; L416-Y420 VanDerWaalsContact O-N 3.08Å
417	L	89.9	Confident	89.2	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-44.2	176.9	-176	63.4	0	0	0	111.8	L363 Y413 M414 S419 Y420 L421	L363-L417 HydrophobicContact CD2-CB 4.5Å; L363-L417 HydrophobicContact CD2-CD1 4.33Å; Y413-L417 HydrophobicContact CE1-CD2 4.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.31Å; Y413-L417 PolarHBondContact O-N 3.21Å; M414-L417 PolarHBondContact O-N 3.05Å; L417-S419 VanDerWaalsContact C-N 3.33Å; L417-S419 PolarHBondContact O-N 3.5Å; L417-Y420 PolarHBondContact O-N 3.39Å; L417-L421 HydrophobicContact CG-CD1 4.39Å; L417-L421 WeakPolarHBondContact O-CG 3.46Å; L417-L421 PolarHBondContact O-N 3.15Å
418	E	89.8	Confident	89	Confident	137 Å²	137	54.1 Å²	54.1	64%	0.64	26%	0.264	S	S	*	.	H	α-helix	trans	-62.1	-40.8	177	-174.8	175.9	-172.4	0	0	112	M414 Y420 L421 G422	M414-E418 WeakPolarHBondContact O-CB 3.14Å; M414-E418 PolarHBondContact O-N 3.32Å; E418-Y420 VanDerWaalsContact C-N 3.34Å; E418-Y420 PolarHBondContact O-N 2.88Å; E418-L421 PolarHBondContact O-N 3.14Å; E418-G422 PolarHBondContact O-N 3.4Å; E418-G422 VanDerWaalsContact O-N 3.14Å
419	S	90.3	Very high	88.6	Confident	29 Å²	29	59.2 Å²	59.2	20%	0.203	29%	0.292	C	S	.	.	H	α-helix	trans	-55.9	-47.7	172.2	168	0	0	0	0	111.2	R338 A415 L416 L417 G422 V423	R338-S419 PolarHBondContact NH2-OG 3.28Å; R338-S419 VanDerWaalsContact NH2-OG 3.09Å; A415-S419 WeakPolarHBondContact O-CB 3.36Å; A415-S419 PolarHBondContact O-N 3.29Å; L416-S419 WeakPolarHBondContact O-CB 3.41Å; L416-S419 PolarHBondContact O-N 3.11Å; L417-S419 VanDerWaalsContact C-N 3.33Å; L417-S419 PolarHBondContact O-N 3.5Å; S419-G422 PolarHBondContact O-N 2.79Å; S419-V423 WeakPolarHBondContact O-CG2 3.45Å; S419-V423 PolarHBondContact O-N 3.18Å
420	Y	91.8	Very high	87.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.5	-40.4	178.6	-71.3	-53.4	0	0	0	113.5	R338 E341 A342 L363 R366 L416 L417 E418 G422 V423 V424	R338-Y420 WeakPolarHBondContact CA-OH 3.36Å; R338-Y420 HydrophobicContact CB-CE1 4.41Å; R338-Y420 WeakPolarHBondContact CG-OH 3.37Å; R338-Y420 WeakPolarHBondContact O-CE1 3.46Å; E341-Y420 HydrophobicContact CB-CE1 4.17Å; E341-Y420 HydrophobicContact CB-CE2 4.11Å; E341-Y420 WeakPolarHBondContact OE2-CE2 3.31Å; E341-Y420 VanDerWaalsContact OE2-CZ 3.26Å; E341-Y420 PolarHBondContact OE2-OH 3.4Å; A342-Y420 HydrophobicContact CB-CD1 4.04Å; A342-Y420 HydrophobicContact CB-CE1 4.3Å; L363-Y420 HydrophobicContact CD1-CE2 4.09Å; R366-Y420 PolarHBondContact NH1-OH 2.8Å; L416-Y420 HydrophobicContact CD1-CD2 4.11Å; L416-Y420 HydrophobicContact CD1-CE2 3.37Å; L416-Y420 HydrophobicContact CD2-CE2 4.26Å; L416-Y420 HydrophobicContact CG-CD2 4.06Å; L416-Y420 HydrophobicContact CG-CE2 3.55Å; L416-Y420 WeakPolarHBondContact O-CD2 3.38Å; L416-Y420 PolarHBondContact O-N 2.78Å; L416-Y420 VanDerWaalsContact O-N 3.08Å; L417-Y420 PolarHBondContact O-N 3.39Å; E418-Y420 VanDerWaalsContact C-N 3.34Å; E418-Y420 PolarHBondContact O-N 2.88Å; Y420-G422 PolarHBondContact O-N 3.45Å; Y420-V423 WeakPolarHBondContact O-CB 3.26Å; Y420-V423 PolarHBondContact O-N 3.03Å; Y420-V424 WeakPolarHBondContact O-CB 3.47Å; Y420-V424 VanDerWaalsContact O-CG2 3.23Å; Y420-V424 WeakPolarHBondContact O-CG2 3.28Å; Y420-V424 PolarHBondContact O-N 2.82Å
421	L	89	Confident	87	Confident	71 Å²	71	55.1 Å²	55.1	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-39.3	176.6	-71.5	172.4	0	0	0	111.6	L345 L417 E418 V423 V424 V425	L345-L421 HydrophobicContact CD2-CD2 4.42Å; L417-L421 HydrophobicContact CG-CD1 4.39Å; L417-L421 WeakPolarHBondContact O-CG 3.46Å; L417-L421 PolarHBondContact O-N 3.15Å; E418-L421 PolarHBondContact O-N 3.14Å; L421-V423 VanDerWaalsContact C-N 3.33Å; L421-V423 PolarHBondContact O-N 3.34Å; L421-V424 PolarHBondContact O-N 3.19Å; L421-V425 WeakPolarHBondContact O-CG2 3.28Å; L421-V425 PolarHBondContact O-N 3.02Å; L421-V425 VanDerWaalsContact O-N 3.13Å
422	G	86.5	Confident	86.4	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-34.7	175.1	0	0	0	0	0	114.9	E418 S419 Y420	E418-G422 PolarHBondContact O-N 3.4Å; E418-G422 VanDerWaalsContact O-N 3.14Å; S419-G422 PolarHBondContact O-N 2.79Å; Y420-G422 PolarHBondContact O-N 3.45Å
423	V	89.2	Confident	86	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.7	-45.4	177.2	171.9	0	0	0	0	110.3	R292 D295 V296 A342 S419 Y420 L421 V425 R426 L427	R292-V423 HydrophobicContact CG-CG2 4.25Å; D295-V423 HydrophobicContact CB-CG1 4.31Å; D295-V423 HydrophobicContact CB-CG2 3.64Å; V296-V423 HydrophobicContact CG2-CB 4.12Å; V296-V423 HydrophobicContact CG2-CG1 3.77Å; V296-V423 HydrophobicContact CG2-CG2 4.15Å; A342-V423 HydrophobicContact CB-CG1 4.01Å; S419-V423 WeakPolarHBondContact O-CG2 3.45Å; S419-V423 PolarHBondContact O-N 3.18Å; Y420-V423 WeakPolarHBondContact O-CB 3.26Å; Y420-V423 PolarHBondContact O-N 3.03Å; L421-V423 VanDerWaalsContact C-N 3.33Å; L421-V423 PolarHBondContact O-N 3.34Å; V423-V425 PolarHBondContact O-N 2.99Å; V423-R426 WeakPolarHBondContact O-CB 3.39Å; V423-R426 PolarHBondContact O-N 3.36Å; V423-R426 VanDerWaalsContact O-N 3.07Å; V423-L427 HydrophobicContact CG1-CD1 3.73Å; V423-L427 HydrophobicContact CG1-CG 4.38Å; V423-L427 PolarHBondContact O-N 3.41Å
424	V	89.9	Confident	85.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-41.8	-175.4	169.6	0	0	0	0	112.1	L345 V346 Y420 L421 R426 L427 E428	L345-V424 HydrophobicContact CB-CG2 3.93Å; L345-V424 HydrophobicContact CD2-CG2 3.88Å; L345-V424 HydrophobicContact CG-CG2 3.9Å; V346-V424 HydrophobicContact CG2-CB 4.31Å; V346-V424 HydrophobicContact CG2-CG1 3.96Å; V346-V424 HydrophobicContact CG2-CG2 4Å; Y420-V424 WeakPolarHBondContact O-CB 3.47Å; Y420-V424 VanDerWaalsContact O-CG2 3.23Å; Y420-V424 WeakPolarHBondContact O-CG2 3.28Å; Y420-V424 PolarHBondContact O-N 2.82Å; L421-V424 PolarHBondContact O-N 3.19Å; V424-R426 PolarHBondContact O-N 3.19Å; V424-R426 VanDerWaalsContact O-N 3.09Å; V424-L427 PolarHBondContact O-N 3.44Å; V424-E428 HydrophobicContact CG1-CG 3.99Å; V424-E428 WeakPolarHBondContact O-CG 3.32Å; V424-E428 PolarHBondContact O-N 3.25Å
425	V	87.8	Confident	85.6	Confident	80 Å²	80	52 Å²	52	49%	0.485	27%	0.269	S	S	.	.	H	α-helix	trans	-52.5	-36	174.3	167.5	0	0	0	0	111.3	L421 V423	L421-V425 WeakPolarHBondContact O-CG2 3.28Å; L421-V425 PolarHBondContact O-N 3.02Å; L421-V425 VanDerWaalsContact O-N 3.13Å; V423-V425 PolarHBondContact O-N 2.99Å
426	R	85.9	Confident	85.6	Confident	116 Å²	116	52.7 Å²	52.7	44%	0.438	27%	0.267	S	S	.	.	H	α-helix	trans	-76.7	-36.4	178.7	-173	57	173.8	177.4	0.9	113.1	V296 V423 V424 F433	V296-R426 HydrophobicContact CG1-CG 4.09Å; V296-R426 HydrophobicContact CG2-CB 4.26Å; V296-R426 HydrophobicContact CG2-CG 4.41Å; V423-R426 WeakPolarHBondContact O-CB 3.39Å; V423-R426 PolarHBondContact O-N 3.36Å; V423-R426 VanDerWaalsContact O-N 3.07Å; V424-R426 PolarHBondContact O-N 3.19Å; V424-R426 VanDerWaalsContact O-N 3.09Å; R426-F433 HydrophobicContact CG-CE1 4.36Å
427	L	87.8	Confident	85.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-79.7	-23.9	-178.7	-64.4	171.7	0	0	0	112.9	V296 A299 T300 V346 V423 V424 S430 E431 F433	V296-L427 HydrophobicContact CG1-CD2 4.42Å; A299-L427 HydrophobicContact CB-CD1 3.7Å; T300-L427 WeakPolarHBondContact OG1-CD2 3.49Å; V346-L427 HydrophobicContact CG2-CB 3.7Å; V346-L427 HydrophobicContact CG2-CD1 4.05Å; V423-L427 HydrophobicContact CG1-CD1 3.73Å; V423-L427 HydrophobicContact CG1-CG 4.38Å; V423-L427 PolarHBondContact O-N 3.41Å; V424-L427 PolarHBondContact O-N 3.44Å; L427-S430 CarbonylContact O-C 3.57Å; L427-S430 VanDerWaalsContact O-C 3.31Å; L427-E431 VanDerWaalsContact O-CA 3.25Å; L427-E431 WeakPolarHBondContact O-CA 3.39Å; L427-E431 PolarHBondContact O-N 3.31Å; L427-F433 HydrophobicContact CD2-CE1 4.48Å
428	E	82.1	Confident	85.4	Confident	61 Å²	61	52.6 Å²	52.6	29%	0.285	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175.1	-78	-173.3	138.4	0	0	112.2	R349 V424 S430	R349-E428 WeakPolarHBondContact CB-OE1 3.47Å; R349-E428 WeakPolarHBondContact CD-OE1 3.48Å; R349-E428 IonicContact CZ-OE1 2.76Å; R349-E428 IonicContact CZ-OE2 2.63Å; R349-E428 VanDerWaalsContact CZ-OE2 3.28Å; R349-E428 IonicContact NE-OE1 3.21Å; R349-E428 PolarHBondContact NE-OE1 2.9Å; R349-E428 IonicContact NE-OE2 2.88Å; R349-E428 PolarHBondContact NE-OE2 2.97Å; R349-E428 IonicContact NH2-OE1 2.79Å; R349-E428 PolarHBondContact NH2-OE1 3.35Å; R349-E428 IonicContact NH2-OE2 3.84Å; R349-E428 PolarHBondContact NH2-OE2 2.77Å; V424-E428 HydrophobicContact CG1-CG 3.99Å; V424-E428 WeakPolarHBondContact O-CG 3.32Å; V424-E428 PolarHBondContact O-N 3.25Å; E428-S430 VanDerWaalsContact C-N 3.31Å; E428-S430 PolarHBondContact O-N 3.07Å
429	D	76.3	Confident	85.2	Confident	130 Å²	130	47.1 Å²	47.1	70%	0.695	24%	0.239	S	C	*	.	H	α-helix	trans	-62.1	-40.2	179.1	-71.7	-16.6	0	0	0	111.7
430	S	75.3	Confident	85.1	Confident	52 Å²	52	46.5 Å²	46.5	36%	0.364	23%	0.233	S	C	.	.			trans	-164.7	101.3	175.8	169.6	0	0	0	0	110.5	L427 E428 R432 F433	L427-S430 CarbonylContact O-C 3.57Å; L427-S430 VanDerWaalsContact O-C 3.31Å; E428-S430 VanDerWaalsContact C-N 3.31Å; E428-S430 PolarHBondContact O-N 3.07Å; S430-R432 PolarHBondContact O-N 2.9Å; S430-R432 VanDerWaalsContact O-N 3.1Å; S430-F433 WeakPolarHBondContact O-CB 3.28Å; S430-F433 WeakPolarHBondContact O-CD1 3.39Å; S430-F433 PolarHBondContact O-N 2.82Å; S430-F433 VanDerWaalsContact O-N 3.17Å; S430-F433 VanDerWaalsContact OG-CA 3.29Å; S430-F433 WeakPolarHBondContact OG-CA 3.08Å; S430-F433 WeakPolarHBondContact OG-CB 3.47Å; S430-F433 PolarHBondContact OG-N 3.32Å; S430-F433 VanDerWaalsContact OG-N 3.16Å
431	E	70.5	Confident	84.6	Confident	39 Å²	39	51.1 Å²	51.1	18%	0.182	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	-179.3	-173.5	173.6	-176.4	0	0	112.8	T300 L343 R350 L427	T300-E431 WeakPolarHBondContact CG2-O 3.29Å; L343-E431 HydrophobicContact CD2-CG 4.36Å; R350-E431 IonicContact CZ-OE2 3.79Å; R350-E431 VanDerWaalsContact CZ-OE2 3.22Å; R350-E431 IonicContact NH1-OE2 3.48Å; R350-E431 PolarHBondContact NH1-OE2 2.75Å; R350-E431 IonicContact NH2-OE2 3.43Å; R350-E431 PolarHBondContact NH2-OE2 3.01Å; L427-E431 VanDerWaalsContact O-CA 3.25Å; L427-E431 WeakPolarHBondContact O-CA 3.39Å; L427-E431 PolarHBondContact O-N 3.31Å
432	R	79	Confident	83.5	Confident	140 Å²	140	55.5 Å²	55.5	53%	0.528	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	46.9	179.5	-69.5	179.7	-179.9	-179	2.6	111.6	S303 Y304 S430 L434	S303-R432 PolarHBondContact O-NH2 2.78Å; Y304-R432 HydrophobicContact CE1-CG 4.19Å; Y304-R432 HydrophobicContact CE2-CB 4.37Å; Y304-R432 HydrophobicContact CE2-CG 3.82Å; Y304-R432 WeakPolarHBondContact OH-CB 3.46Å; S430-R432 PolarHBondContact O-N 2.9Å; S430-R432 VanDerWaalsContact O-N 3.1Å; R432-L434 VanDerWaalsContact C-N 3.27Å; R432-L434 CarbonylContact C-O 3.47Å
433	F	80.7	Confident	82	Confident	54 Å²	54	61.2 Å²	61.2	24%	0.237	30%	0.295	C	S	.	.			trans	-72.7	-22.1	179.1	78.1	-83.9	0	0	0	113.1	T262 V296 T300 R426 L427 S430	T262-F433 HydrophobicContact CG2-CZ 4.33Å; V296-F433 HydrophobicContact CG1-CE1 3.39Å; V296-F433 HydrophobicContact CG1-CZ 3.43Å; V296-F433 VanDerWaalsContact CG1-CZ 3.43Å; T300-F433 WeakPolarHBondContact OG1-CE1 3.37Å; R426-F433 HydrophobicContact CG-CE1 4.36Å; L427-F433 HydrophobicContact CD2-CE1 4.48Å; S430-F433 WeakPolarHBondContact O-CB 3.28Å; S430-F433 WeakPolarHBondContact O-CD1 3.39Å; S430-F433 PolarHBondContact O-N 2.82Å; S430-F433 VanDerWaalsContact O-N 3.17Å; S430-F433 VanDerWaalsContact OG-CA 3.29Å; S430-F433 WeakPolarHBondContact OG-CA 3.08Å; S430-F433 WeakPolarHBondContact OG-CB 3.47Å; S430-F433 PolarHBondContact OG-N 3.32Å; S430-F433 VanDerWaalsContact OG-N 3.16Å
434	L	87.5	Confident	79.9	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.037	34%	0.342	C	S	.	.	S	Bend	trans	-87.4	150	167.2	-65.2	173	0	0	0	109.4	R263 Q266 V297 T300 Y304 R432	R263-L434 HydrophobicContact CB-CD2 4.41Å; Q266-L434 HydrophobicContact CB-CD1 4.21Å; Q266-L434 HydrophobicContact CG-CD1 4.27Å; V297-L434 HydrophobicContact CB-CD1 4.35Å; V297-L434 HydrophobicContact CG1-CD1 4.4Å; V297-L434 HydrophobicContact CG2-CD1 3.89Å; T300-L434 HydrophobicContact CG2-CB 3.79Å; T300-L434 HydrophobicContact CG2-CD1 4.2Å; T300-L434 HydrophobicContact CG2-CG 4.25Å; Y304-L434 PolarHBondContact OH-O 3.27Å; R432-L434 VanDerWaalsContact C-N 3.27Å; R432-L434 CarbonylContact C-O 3.47Å
435	P	87.7	Confident	79.4	Confident	49 Å²	49	74.8 Å²	74.8	32%	0.318	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-63.4	160.1	175.1	32.1	-39.6	0	0	0	111	R263 Q266	R263-P435 VanDerWaalsContact CZ-CG 3.49Å; Q266-P435 PolarHBondContact NE2-O 3.44Å
436	M	90.3	Very high	79	Confident	50 Å²	50	74.5 Å²	74.5	25%	0.246	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-53.5	128.4	172	-175.9	172	178.7	0	0	110.2	Y304 K438 L440 Q441	Y304-M436 HydrophobicContact CD1-CB 4.36Å; Y304-M436 HydrophobicContact CD1-CG 4Å; Y304-M436 HydrophobicContact CE1-CB 3.86Å; Y304-M436 HydrophobicContact CE1-CG 4Å; Y304-M436 PolarHBondContact OH-N 3.07Å; M436-K438 PolarHBondContact O-N 3.33Å; M436-L440 HydrophobicContact CE-CB 3.59Å; M436-L440 HydrophobicContact CE-CD1 4.49Å; M436-L440 HydrophobicContact CG-CB 4.37Å; M436-Q441 HydrophobicContact CG-CG 4.28Å; M436-Q441 PolarHBondContact O-NE2 3.13Å; M436-Q441 HydrophobicContact SD-CG 4.4Å
437	P	89.5	Confident	78.6	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.013	35%	0.348	C	S	.	.			trans	-44.6	128.1	173.6	-37.5	41.7	0	0	0	113.8	M270 N301 Y304 F329 V439 L440 Q441	M270-P437 HydrophobicContact SD-CB 3.55Å; M270-P437 VanDerWaalsContact SD-CB 3.55Å; M270-P437 HydrophobicContact SD-CG 4.21Å; N301-P437 HydrophobicContact CB-CG 4.03Å; Y304-P437 HydrophobicContact CD2-CG 4.47Å; F329-P437 HydrophobicContact CE1-CB 3.67Å; F329-P437 HydrophobicContact CE1-CG 3.78Å; F329-P437 HydrophobicContact CZ-CB 4.16Å; F329-P437 HydrophobicContact CZ-CG 3.84Å; P437-V439 HydrophobicContact CB-CG2 4.03Å; P437-V439 PolarHBondContact O-N 3.28Å; P437-L440 HydrophobicContact CB-CB 4.38Å; P437-L440 HydrophobicContact CB-CD1 4.11Å; P437-L440 HydrophobicContact CB-CG 4.12Å; P437-L440 HydrophobicContact CG-CD1 4.17Å; P437-L440 WeakPolarHBondContact O-CB 3.36Å; P437-L440 PolarHBondContact O-N 3.29Å; P437-Q441 PolarHBondContact O-N 3.17Å
438	K	86.5	Confident	78.1	Confident	69 Å²	69	76.4 Å²	76.4	30%	0.3	37%	0.368	S	S	.	.	H	α-helix	trans	-56.9	-34.4	178.4	-72.1	175.1	179.2	155.2	0	113	I153 E267 M436 L440 Q441 H442	I153-K438 PolarHBondContact O-NZ 3.02Å; E267-K438 WeakPolarHBondContact OE2-CE 3.4Å; E267-K438 IonicContact OE2-NZ 3.44Å; E267-K438 PolarHBondContact OE2-NZ 3.12Å; M436-K438 PolarHBondContact O-N 3.33Å; K438-L440 PolarHBondContact O-N 3.4Å; K438-Q441 PolarHBondContact O-N 3.13Å; K438-Q441 VanDerWaalsContact O-N 3.12Å; K438-H442 PolarHBondContact O-CD2 3.2Å; K438-H442 VanDerWaalsContact O-CD2 3.22Å; K438-H442 PolarHBondContact O-N 3.19Å
439	V	86.3	Confident	77.8	Confident	23 Å²	23	77.4 Å²	77.4	14%	0.139	37%	0.373	C	S	.	.	H	α-helix	trans	-62.7	-25.9	177.1	-62.5	0	0	0	0	113	M270 A273 V328 F329 P437	M270-V439 HydrophobicContact SD-CG2 3.8Å; A273-V439 HydrophobicContact CB-CG1 4.38Å; V328-V439 HydrophobicContact CG1-CG2 3.95Å; F329-V439 HydrophobicContact CD1-CG2 3.89Å; F329-V439 HydrophobicContact CE1-CG2 3.68Å; P437-V439 HydrophobicContact CB-CG2 4.03Å; P437-V439 PolarHBondContact O-N 3.28Å
440	L	87	Confident	77.9	Confident	15 Å²	15	73.9 Å²	73.9	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-85.5	-32	173.5	-66.6	178.6	0	0	0	112.1	Y304 L305 V328 F329 M436 P437 K438 H442 Q443	Y304-L440 HydrophobicContact CG-CD1 4.46Å; L305-L440 HydrophobicContact CD2-CD1 4.33Å; L305-L440 HydrophobicContact CD2-CD2 4.17Å; V328-L440 HydrophobicContact CG1-CD2 3.55Å; V328-L440 HydrophobicContact CG1-CG 4.13Å; F329-L440 HydrophobicContact CE1-CD1 4.43Å; F329-L440 HydrophobicContact CE1-CG 4.39Å; F329-L440 HydrophobicContact CZ-CD1 3.93Å; F329-L440 HydrophobicContact CZ-CG 4.32Å; M436-L440 HydrophobicContact CE-CB 3.59Å; M436-L440 HydrophobicContact CE-CD1 4.49Å; M436-L440 HydrophobicContact CG-CB 4.37Å; P437-L440 HydrophobicContact CB-CB 4.38Å; P437-L440 HydrophobicContact CB-CD1 4.11Å; P437-L440 HydrophobicContact CB-CG 4.12Å; P437-L440 HydrophobicContact CG-CD1 4.17Å; P437-L440 WeakPolarHBondContact O-CB 3.36Å; P437-L440 PolarHBondContact O-N 3.29Å; K438-L440 PolarHBondContact O-N 3.4Å; L440-H442 PolarHBondContact O-N 3.08Å; L440-Q443 PolarHBondContact O-N 3.22Å
441	Q	81.6	Confident	78.1	Confident	97 Å²	97	75.4 Å²	75.4	45%	0.453	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-24.1	177.5	-63.9	177.2	12.2	0	0	113.3	M436 P437 K438 Q443	M436-Q441 HydrophobicContact CG-CG 4.28Å; M436-Q441 PolarHBondContact O-NE2 3.13Å; M436-Q441 HydrophobicContact SD-CG 4.4Å; P437-Q441 PolarHBondContact O-N 3.17Å; K438-Q441 PolarHBondContact O-N 3.13Å; K438-Q441 VanDerWaalsContact O-N 3.12Å; Q441-Q443 VanDerWaalsContact C-N 3.33Å
442	H	65.4	Low	78.7	Confident	163 Å²	163	78.2 Å²	78.2	76%	0.755	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.9	175.8	-69	-57.7	0	0	0	113.9	K438 L440	K438-H442 PolarHBondContact O-CD2 3.2Å; K438-H442 VanDerWaalsContact O-CD2 3.22Å; K438-H442 PolarHBondContact O-N 3.19Å; L440-H442 PolarHBondContact O-N 3.08Å
443	Q	55.9	Low	78.7	Confident	139 Å²	139	73.1 Å²	73.1	65%	0.65	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-20.8	178.8	-65.3	-174.2	-4.6	0	0	113.3	L440 Q441	L440-Q443 PolarHBondContact O-N 3.22Å; Q441-Q443 VanDerWaalsContact C-N 3.33Å
444	E	45.3	Very low	78.5	Confident	209 Å²	209	74.8 Å²	74.8	98%	0.977	36%	0.361	S	S	*	.			trans	-81.5	0	167.6	-66.7	-174.6	168.4	0	0	111

Retrieved 444 of 444 residues in 231.4 ms (Link to these results)

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