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NADH dehydrogenase iron sulfur protein 8

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077Z023, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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	35.9	Very low	32.2	Very low	225 Å²	225	167.7 Å²	167.7	100%	1.108	79%	0.792	S	S	*	*				0	-2.9	0	-152.7	175.6	-80	0	0	113.6
2	F	28.5	Very low	32.8	Very low	221 Å²	221	166.3 Å²	166.3	97%	0.969	79%	0.792	S	S	*	*			trans	-104	45.3	164.8	-82.1	-87.2	0	0	0	110.4
3	E	26.4	Very low	33.1	Very low	163 Å²	163	165.5 Å²	165.5	76%	0.762	79%	0.787	S	S	*	*			trans	-97	122.8	175.6	-91.5	169.9	141.5	0	0	108.8
4	T	31.8	Very low	33.6	Very low	109 Å²	109	168.4 Å²	168.4	67%	0.669	79%	0.789	S	S	*	*			trans	75.1	61.5	153.6	66.1	0	0	0	0	117.3	R6	T4-R6 PolarHBondContact O-N 3.25Å
5	F	32.3	Very low	34.4	Very low	198 Å²	198	166.9 Å²	166.9	87%	0.868	80%	0.795	S	S	*	*			trans	-68.8	56.2	137.5	-115.2	-102.5	0	0	0	109.3	L7	F5-L7 HydrophobicContact CD1-CB 4.46Å; F5-L7 HydrophobicContact CD1-CD1 3.66Å; F5-L7 HydrophobicContact CD1-CG 4.26Å; F5-L7 HydrophobicContact CE1-CD1 3.4Å; F5-L7 VanDerWaalsContact CE1-CD1 3.4Å; F5-L7 HydrophobicContact CE1-CG 4.46Å; F5-L7 HydrophobicContact CE2-CD1 4.38Å; F5-L7 HydrophobicContact CG-CD1 4.28Å; F5-L7 HydrophobicContact CZ-CD1 3.79Å; F5-L7 PolarHBondContact O-N 3.28Å
6	R	32.8	Very low	35.1	Very low	220 Å²	220	160.7 Å²	160.7	83%	0.83	79%	0.789	S	S	*	*			trans	-89.5	54.5	165.6	-165.4	-175.4	-92.7	176.2	-6.6	106	T4 H8	T4-R6 PolarHBondContact O-N 3.25Å; R6-H8 PolarHBondContact O-N 2.86Å
7	L	33.1	Very low	35.4	Very low	115 Å²	115	161.2 Å²	161.2	60%	0.602	79%	0.789	S	S	*	*			trans	-85	100.7	178	-77.4	175.6	0	0	0	108.4	F5 S9	F5-L7 HydrophobicContact CD1-CB 4.46Å; F5-L7 HydrophobicContact CD1-CD1 3.66Å; F5-L7 HydrophobicContact CD1-CG 4.26Å; F5-L7 HydrophobicContact CE1-CD1 3.4Å; F5-L7 VanDerWaalsContact CE1-CD1 3.4Å; F5-L7 HydrophobicContact CE1-CG 4.46Å; F5-L7 HydrophobicContact CE2-CD1 4.38Å; F5-L7 HydrophobicContact CG-CD1 4.28Å; F5-L7 HydrophobicContact CZ-CD1 3.79Å; F5-L7 PolarHBondContact O-N 3.28Å; L7-S9 PolarHBondContact O-N 2.97Å
8	H	35.3	Very low	36.1	Very low	140 Å²	140	159.9 Å²	159.9	65%	0.648	79%	0.786	S	S	*	*			trans	57.2	52.1	133.5	-90.7	53.2	0	0	0	116.6	R6 Y11	R6-H8 PolarHBondContact O-N 2.86Å; H8-Y11 AromaticContact CD2-CD2 3.62Å; H8-Y11 AromaticContact CE1-CD2 3.77Å; H8-Y11 AromaticContact CE1-CE2 3.76Å; H8-Y11 AromaticContact NE2-CD2 3.42Å; H8-Y11 WeakPolarHBondContact NE2-CD2 3.49Å; H8-Y11 AromaticContact NE2-CE2 3.77Å
9	S	35.3	Very low	36.8	Very low	119 Å²	119	162.1 Å²	162.1	83%	0.832	79%	0.791	S	S	*	*	S	Bend	trans	-96.2	11.9	160.5	88.1	0	0	0	0	113.3	L7	L7-S9 PolarHBondContact O-N 2.97Å
10	Q	32.2	Very low	37.8	Very low	152 Å²	152	160.6 Å²	160.6	71%	0.71	79%	0.785	S	S	*	*	S	Bend	trans	-121.2	13.5	-173.8	-75.7	-175.6	-53.6	0	0	114.4
11	Y	30.8	Very low	38.8	Very low	183 Å²	183	161 Å²	161	72%	0.718	79%	0.785	S	S	*	*	S	Bend	trans	-120	32.5	177.5	-73	-74	0	0	0	113.9	H8	H8-Y11 AromaticContact CD2-CD2 3.62Å; H8-Y11 AromaticContact CE1-CD2 3.77Å; H8-Y11 AromaticContact CE1-CE2 3.76Å; H8-Y11 AromaticContact NE2-CD2 3.42Å; H8-Y11 WeakPolarHBondContact NE2-CD2 3.49Å; H8-Y11 AromaticContact NE2-CE2 3.77Å
12	L	39.8	Very low	40.2	Very low	150 Å²	150	153.4 Å²	153.4	79%	0.785	75%	0.753	S	S	*	*			trans	-127.5	41.4	159.1	-82.9	166.3	0	0	0	109.6	Y14	L12-Y14 PolarHBondContact O-N 3.05Å
13	E	35.6	Very low	42.6	Very low	156 Å²	156	146.5 Å²	146.5	73%	0.729	73%	0.729	S	S	*	*			trans	-77.8	111.2	155.5	-75	-177.1	166	0	0	106.2	V15	E13-V15 VanDerWaalsContact C-N 3.32Å; E13-V15 PolarHBondContact O-N 3.46Å
14	Y	41.4	Very low	45.1	Very low	207 Å²	207	145.3 Å²	145.3	81%	0.812	73%	0.727	S	S	*	*			trans	-59.3	100.1	168.1	-81.4	-95.5	0	0	0	107.6	L12 G16	L12-Y14 PolarHBondContact O-N 3.05Å; Y14-G16 PolarHBondContact O-N 3.34Å; Y14-G16 VanDerWaalsContact O-N 3.08Å
15	V	44.3	Very low	47.4	Very low	146 Å²	146	143.2 Å²	143.2	89%	0.885	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	103.8	177.9	178.9	0	0	0	0	107.9	E13	E13-V15 VanDerWaalsContact C-N 3.32Å; E13-V15 PolarHBondContact O-N 3.46Å
16	G	46	Very low	49.7	Very low	67 Å²	67	135.1 Å²	135.1	69%	0.691	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	88.5	51.7	160	0	0	0	0	0	116.7	Y14 D18	Y14-G16 PolarHBondContact O-N 3.34Å; Y14-G16 VanDerWaalsContact O-N 3.08Å; G16-D18 PolarHBondContact O-N 2.77Å
17	E	40.9	Very low	51.9	Low	170 Å²	170	129.6 Å²	129.6	79%	0.794	67%	0.67	S	S	*	*			trans	-79.6	95.4	146.2	-87.4	-170.4	159.6	0	0	108	K19	E17-K19 PolarHBondContact O-N 2.93Å
18	D	46.7	Very low	54.4	Low	138 Å²	138	128.6 Å²	128.6	74%	0.738	67%	0.665	S	S	*	*			trans	-55.2	112.9	154.4	-75.8	-32.1	0	0	0	106.5	G16 I20	G16-D18 PolarHBondContact O-N 2.77Å; D18-I20 HydrophobicContact CB-CG1 4.08Å; D18-I20 PolarHBondContact O-N 3.45Å
19	K	49.8	Very low	56.6	Low	200 Å²	200	126.5 Å²	126.5	87%	0.87	66%	0.658	S	S	*	*			trans	-68.6	72.1	170.8	-68.4	-177.2	-178.7	177.7	0	108.2	E17 E21	E17-K19 PolarHBondContact O-N 2.93Å; K19-E21 PolarHBondContact O-N 3.28Å; K19-E21 VanDerWaalsContact O-N 3.16Å
20	I	56.5	Low	58.7	Low	132 Å²	132	127.8 Å²	127.8	68%	0.677	65%	0.645	S	S	*	*			trans	-64	115.8	169.7	-58.6	167	0	0	0	104.9	D18 P22	D18-I20 HydrophobicContact CB-CG1 4.08Å; D18-I20 PolarHBondContact O-N 3.45Å; I20-P22 VanDerWaalsContact O-N 3.16Å
21	E	59.5	Low	61.2	Low	170 Å²	170	122.1 Å²	122.1	79%	0.794	63%	0.627	S	S	*	*			trans	-50	125.1	174.5	-64.9	-171.9	179.4	0	0	108	K19 T23	K19-E21 PolarHBondContact O-N 3.28Å; K19-E21 VanDerWaalsContact O-N 3.16Å; E21-T23 PolarHBondContact O-N 3.04Å
22	P	64.3	Low	63.7	Low	66 Å²	66	119.1 Å²	119.1	43%	0.429	62%	0.618	S	S	.	*			trans	-65	107.5	-168	26.2	-34.9	0	0	0	108.6	I20 H27	I20-P22 VanDerWaalsContact O-N 3.16Å; P22-H27 VanDerWaalsContact CB-NE2 3.3Å; P22-H27 WeakPolarHBondContact CB-NE2 3.34Å; P22-H27 WeakPolarHBondContact CG-NE2 3.31Å
23	T	78.8	Confident	65.6	Low	75 Å²	75	116.2 Å²	116.2	46%	0.46	60%	0.6	S	S	.	*			trans	-57	150.5	171.6	56.4	0	0	0	0	108.3	E21 S25 A26 H27	E21-T23 PolarHBondContact O-N 3.04Å; T23-S25 PolarHBondContact O-N 2.88Å; T23-S25 PolarHBondContact OG1-OG 2.75Å; T23-A26 WeakPolarHBondContact O-CA 3.44Å; T23-A26 WeakPolarHBondContact O-CB 3.39Å; T23-A26 PolarHBondContact O-N 2.92Å; T23-A26 PolarHBondContact OG1-N 3.48Å; T23-H27 PolarHBondContact O-N 2.89Å
24	L	79.3	Confident	67.6	Low	139 Å²	139	119.1 Å²	119.1	73%	0.728	61%	0.605	S	S	*	*	H	α-helix	trans	-50.3	-36.3	177.9	-175.8	75.9	0	0	0	111.4	H27 L28	L24-H27 PolarHBondContact O-N 2.78Å; L24-L28 HydrophobicContact CG-CD1 4.26Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.08Å
25	S	80.9	Confident	69.7	Low	65 Å²	65	117 Å²	117	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-60.3	-43.9	173.3	57.7	0	0	0	0	113.1	T23 H27 L28 D29	T23-S25 PolarHBondContact O-N 2.88Å; T23-S25 PolarHBondContact OG1-OG 2.75Å; S25-H27 PolarHBondContact O-N 3.04Å; S25-L28 PolarHBondContact O-N 3.48Å; S25-D29 WeakPolarHBondContact O-CB 3.29Å; S25-D29 VanDerWaalsContact O-CG 3.22Å; S25-D29 PolarHBondContact O-N 3.11Å
26	A	79.7	Confident	71.7	Confident	27 Å²	27	116.3 Å²	116.3	22%	0.223	59%	0.59	C	S	.	*	H	α-helix	trans	-66.2	-35.6	179.2	0	0	0	0	0	112.8	T23 R30	T23-A26 WeakPolarHBondContact O-CA 3.44Å; T23-A26 WeakPolarHBondContact O-CB 3.39Å; T23-A26 PolarHBondContact O-N 2.92Å; T23-A26 PolarHBondContact OG1-N 3.48Å; A26-R30 WeakPolarHBondContact O-CB 3.18Å; A26-R30 PolarHBondContact O-N 2.88Å
27	H	80.3	Confident	73.7	Confident	104 Å²	104	117.8 Å²	117.8	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-40.2	172.6	-81.5	-58.6	0	0	0	112.4	P22 T23 L24 S25 G31	P22-H27 VanDerWaalsContact CB-NE2 3.3Å; P22-H27 WeakPolarHBondContact CB-NE2 3.34Å; P22-H27 WeakPolarHBondContact CG-NE2 3.31Å; T23-H27 PolarHBondContact O-N 2.89Å; L24-H27 PolarHBondContact O-N 2.78Å; S25-H27 PolarHBondContact O-N 3.04Å; H27-G31 PolarHBondContact O-N 3.09Å
28	L	84.1	Confident	75.8	Confident	95 Å²	95	111.9 Å²	111.9	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-48.4	174.5	-71.7	170.5	0	0	0	110.7	L24 S25 R30 G31 F32	L24-L28 HydrophobicContact CG-CD1 4.26Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.08Å; S25-L28 PolarHBondContact O-N 3.48Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.4Å; L28-G31 CarbonylContact O-C 3.43Å; L28-G31 WeakPolarHBondContact O-CA 3.1Å; L28-G31 PolarHBondContact O-N 3.32Å; L28-G31 VanDerWaalsContact O-N 3.12Å; L28-F32 VanDerWaalsContact O-CD2 3.3Å; L28-F32 WeakPolarHBondContact O-CD2 3.41Å; L28-F32 PolarHBondContact O-N 3.1Å
29	D	82.4	Confident	77.9	Confident	96 Å²	96	110.6 Å²	110.6	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-60	-42.9	179.8	-68.9	-27.6	0	0	0	112.1	S25 F32 Q33	S25-D29 WeakPolarHBondContact O-CB 3.29Å; S25-D29 VanDerWaalsContact O-CG 3.22Å; S25-D29 PolarHBondContact O-N 3.11Å; D29-F32 WeakPolarHBondContact O-CB 3.33Å; D29-F32 PolarHBondContact O-N 3.18Å; D29-Q33 VanDerWaalsContact O-CG 3.31Å; D29-Q33 WeakPolarHBondContact O-CG 3.37Å; D29-Q33 PolarHBondContact O-N 3.18Å
30	R	80.1	Confident	79.8	Confident	145 Å²	145	106.2 Å²	106.2	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-68.2	-37.4	176.2	-160.9	174.2	-67.1	149.5	-0.7	111.8	A26 L28 Q33 W34	A26-R30 WeakPolarHBondContact O-CB 3.18Å; A26-R30 PolarHBondContact O-N 2.88Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.4Å; R30-Q33 PolarHBondContact O-N 3.27Å; R30-W34 PolarHBondContact O-N 3.15Å
31	G	83.9	Confident	81.5	Confident	33 Å²	33	105.2 Å²	105.2	34%	0.34	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-43	170.5	0	0	0	0	0	112.2	H27 L28 W34 M35	H27-G31 PolarHBondContact O-N 3.09Å; L28-G31 CarbonylContact O-C 3.43Å; L28-G31 WeakPolarHBondContact O-CA 3.1Å; L28-G31 PolarHBondContact O-N 3.32Å; L28-G31 VanDerWaalsContact O-N 3.12Å; G31-W34 PolarHBondContact O-N 2.99Å; G31-M35 VanDerWaalsContact O-CB 3.3Å; G31-M35 WeakPolarHBondContact O-CB 3.43Å; G31-M35 WeakPolarHBondContact O-CG 3.39Å; G31-M35 PolarHBondContact O-N 3.14Å
32	F	82.4	Confident	83	Confident	121 Å²	121	105.2 Å²	105.2	53%	0.531	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-44.1	174	-93.6	-86.7	0	0	0	111.4	L28 D29 W34 M35 F36	L28-F32 VanDerWaalsContact O-CD2 3.3Å; L28-F32 WeakPolarHBondContact O-CD2 3.41Å; L28-F32 PolarHBondContact O-N 3.1Å; D29-F32 WeakPolarHBondContact O-CB 3.33Å; D29-F32 PolarHBondContact O-N 3.18Å; F32-W34 VanDerWaalsContact C-N 3.31Å; F32-W34 PolarHBondContact O-N 3.34Å; F32-M35 PolarHBondContact O-N 3.49Å; F32-F36 HydrophobicContact CB-CD2 4.45Å; F32-F36 AromaticContact CD1-CD2 3.48Å; F32-F36 HydrophobicContact CD1-CD2 3.48Å; F32-F36 VanDerWaalsContact CD1-CD2 3.48Å; F32-F36 AromaticContact CD1-CE2 3.25Å; F32-F36 HydrophobicContact CD1-CE2 3.25Å; F32-F36 HydrophobicContact CD1-CZ 4.38Å; F32-F36 HydrophobicContact CE1-CD2 4.15Å; F32-F36 AromaticContact CE1-CE2 3.43Å; F32-F36 HydrophobicContact CE1-CE2 3.43Å; F32-F36 VanDerWaalsContact CE1-CE2 3.43Å; F32-F36 HydrophobicContact CE1-CZ 4.24Å; F32-F36 HydrophobicContact CG-CD2 4.36Å; F32-F36 HydrophobicContact CG-CE2 4.37Å; F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 WeakPolarHBondContact O-CD2 3.42Å; F32-F36 PolarHBondContact O-N 2.92Å
33	Q	80.6	Confident	84.3	Confident	89 Å²	89	104.3 Å²	104.3	42%	0.416	52%	0.518	S	S	.	.	H	α-helix	trans	-60.1	-40.8	176.8	-75	172.7	-9.7	0	0	112.4	D29 R30 L37 S38	D29-Q33 VanDerWaalsContact O-CG 3.31Å; D29-Q33 WeakPolarHBondContact O-CG 3.37Å; D29-Q33 PolarHBondContact O-N 3.18Å; R30-Q33 PolarHBondContact O-N 3.27Å; Q33-L37 WeakPolarHBondContact O-CA 3.27Å; Q33-L37 PolarHBondContact O-N 3.13Å; Q33-S38 WeakPolarHBondContact CA-OG 3.38Å; Q33-S38 PolarHBondContact O-N 3.3Å
34	W	78.4	Confident	85	Confident	217 Å²	217	105.9 Å²	105.9	82%	0.822	52%	0.524	S	S	*	.	H	α-helix	trans	-70.3	-47.1	175	-96.1	26.1	0	0	0	112.6	R30 G31 F32 F36 L37	R30-W34 PolarHBondContact O-N 3.15Å; G31-W34 PolarHBondContact O-N 2.99Å; F32-W34 VanDerWaalsContact C-N 3.31Å; F32-W34 PolarHBondContact O-N 3.34Å; W34-F36 PolarHBondContact O-N 2.82Å; W34-L37 PolarHBondContact O-N 3.43Å
35	M	84.1	Confident	85.7	Confident	161 Å²	161	101.4 Å²	101.4	79%	0.793	51%	0.511	S	S	*	.	H	α-helix	trans	-67.6	-37	-178	-69.9	-71.2	-96.4	0	0	112.4	G31 F32	G31-M35 VanDerWaalsContact O-CB 3.3Å; G31-M35 WeakPolarHBondContact O-CB 3.43Å; G31-M35 WeakPolarHBondContact O-CG 3.39Å; G31-M35 PolarHBondContact O-N 3.14Å; F32-M35 PolarHBondContact O-N 3.49Å
36	F	86.8	Confident	86.3	Confident	133 Å²	133	104.1 Å²	104.1	58%	0.583	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	3.6	179.1	-70.3	-83.5	0	0	0	113.8	F32 W34 S38	F32-F36 HydrophobicContact CB-CD2 4.45Å; F32-F36 AromaticContact CD1-CD2 3.48Å; F32-F36 HydrophobicContact CD1-CD2 3.48Å; F32-F36 VanDerWaalsContact CD1-CD2 3.48Å; F32-F36 AromaticContact CD1-CE2 3.25Å; F32-F36 HydrophobicContact CD1-CE2 3.25Å; F32-F36 HydrophobicContact CD1-CZ 4.38Å; F32-F36 HydrophobicContact CE1-CD2 4.15Å; F32-F36 AromaticContact CE1-CE2 3.43Å; F32-F36 HydrophobicContact CE1-CE2 3.43Å; F32-F36 VanDerWaalsContact CE1-CE2 3.43Å; F32-F36 HydrophobicContact CE1-CZ 4.24Å; F32-F36 HydrophobicContact CG-CD2 4.36Å; F32-F36 HydrophobicContact CG-CE2 4.37Å; F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 WeakPolarHBondContact O-CD2 3.42Å; F32-F36 PolarHBondContact O-N 2.92Å; W34-F36 PolarHBondContact O-N 2.82Å; F36-S38 PolarHBondContact O-N 2.9Å
37	L	88.1	Confident	87	Confident	98 Å²	98	108.3 Å²	108.3	51%	0.513	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	37	177.2	-60.8	167.2	0	0	0	113.1	Q33 W34 E39 I40 I41	Q33-L37 WeakPolarHBondContact O-CA 3.27Å; Q33-L37 PolarHBondContact O-N 3.13Å; W34-L37 PolarHBondContact O-N 3.43Å; L37-E39 PolarHBondContact O-N 3.19Å; L37-E39 VanDerWaalsContact O-N 3.15Å; L37-I40 HydrophobicContact CB-CB 4.3Å; L37-I40 HydrophobicContact CB-CD1 4.12Å; L37-I40 HydrophobicContact CB-CG1 4.28Å; L37-I40 HydrophobicContact CD1-CD1 4.39Å; L37-I40 HydrophobicContact CD2-CD1 3.84Å; L37-I40 HydrophobicContact CG-CD1 4.34Å; L37-I40 WeakPolarHBondContact O-CA 2.94Å; L37-I40 WeakPolarHBondContact O-CB 3.18Å; L37-I40 PolarHBondContact O-N 2.68Å; L37-I41 PolarHBondContact O-N 3.13Å
38	S	85.8	Confident	87.6	Confident	46 Å²	46	109.4 Å²	109.4	32%	0.322	54%	0.54	S	S	.	.	H	α-helix	trans	-59.5	-32	-170	58.1	0	0	0	0	113.5	Q33 F36 I41 R42	Q33-S38 WeakPolarHBondContact CA-OG 3.38Å; Q33-S38 PolarHBondContact O-N 3.3Å; F36-S38 PolarHBondContact O-N 2.9Å; S38-I41 PolarHBondContact O-N 2.83Å; S38-R42 PolarHBondContact O-N 2.71Å
39	E	89.1	Confident	88	Confident	111 Å²	111	106.8 Å²	106.8	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-37.9	173.3	-66.9	-61.3	154.5	0	0	112.4	L37 R42 A43	L37-E39 PolarHBondContact O-N 3.19Å; L37-E39 VanDerWaalsContact O-N 3.15Å; E39-R42 PolarHBondContact O-N 2.88Å; E39-A43 WeakPolarHBondContact O-CB 3.23Å; E39-A43 PolarHBondContact O-N 2.94Å
40	I	91.7	Very high	88.4	Confident	107 Å²	107	105.7 Å²	105.7	55%	0.549	54%	0.535	S	S	.	.	H	α-helix	trans	-67.4	-41.5	176.5	-58.6	-173.9	0	0	0	110	L37 R42 A43 L44	L37-I40 HydrophobicContact CB-CB 4.3Å; L37-I40 HydrophobicContact CB-CD1 4.12Å; L37-I40 HydrophobicContact CB-CG1 4.28Å; L37-I40 HydrophobicContact CD1-CD1 4.39Å; L37-I40 HydrophobicContact CD2-CD1 3.84Å; L37-I40 HydrophobicContact CG-CD1 4.34Å; L37-I40 WeakPolarHBondContact O-CA 2.94Å; L37-I40 WeakPolarHBondContact O-CB 3.18Å; L37-I40 PolarHBondContact O-N 2.68Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.11Å; I40-A43 PolarHBondContact O-N 2.97Å; I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.22Å
41	I	91.9	Very high	88.9	Confident	112 Å²	112	106.2 Å²	106.2	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-64.4	-41.7	177.7	-62.5	174	0	0	0	110.3	L37 S38 A43 L44 G45	L37-I41 PolarHBondContact O-N 3.13Å; S38-I41 PolarHBondContact O-N 2.83Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.37Å; I41-L44 PolarHBondContact O-N 3.12Å; I41-G45 PolarHBondContact O-N 3.34Å
42	R	90.5	Very high	89.3	Confident	170 Å²	170	111.3 Å²	111.3	64%	0.642	56%	0.555	S	S	*	*	H	α-helix	trans	-61.6	-43.5	175.1	-173.3	179.3	176.1	179	-0.8	111.5	S38 E39 I40 G45 M46	S38-R42 PolarHBondContact O-N 2.71Å; E39-R42 PolarHBondContact O-N 2.88Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.11Å; R42-G45 PolarHBondContact O-N 2.94Å; R42-M46 PolarHBondContact O-N 3.42Å; R42-M46 VanDerWaalsContact O-N 3.16Å
43	A	91.5	Very high	89.9	Confident	46 Å²	46	112.6 Å²	112.6	38%	0.38	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-42.9	174.7	0	0	0	0	0	112.2	E39 I40 I41 G45 M46 L47	E39-A43 WeakPolarHBondContact O-CB 3.23Å; E39-A43 PolarHBondContact O-N 2.94Å; I40-A43 PolarHBondContact O-N 2.97Å; I41-A43 VanDerWaalsContact C-N 3.35Å; I41-A43 PolarHBondContact O-N 3.37Å; A43-G45 VanDerWaalsContact C-N 3.3Å; A43-G45 PolarHBondContact O-N 3.5Å; A43-M46 HydrophobicContact CB-CE 4.49Å; A43-M46 PolarHBondContact O-N 2.74Å; A43-L47 PolarHBondContact O-N 2.68Å
44	L	94.3	Very high	90.4	Very high	108 Å²	108	117.3 Å²	117.3	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-62.2	-37.9	175.7	-175.2	62.6	0	0	0	111.4	I40 I41 L47 F48	I40-L44 WeakPolarHBondContact O-CB 3.37Å; I40-L44 PolarHBondContact O-N 3.22Å; I41-L44 PolarHBondContact O-N 3.12Å; L44-L47 WeakPolarHBondContact O-CB 3.26Å; L44-L47 PolarHBondContact O-N 3.12Å; L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 3.1Å
45	G	94	Very high	91.1	Very high	45 Å²	45	111.9 Å²	111.9	46%	0.464	58%	0.575	S	S	.	*	H	α-helix	trans	-61.4	-41.2	173.5	0	0	0	0	0	113	I41 R42 A43 F48 G49	I41-G45 PolarHBondContact O-N 3.34Å; R42-G45 PolarHBondContact O-N 2.94Å; A43-G45 VanDerWaalsContact C-N 3.3Å; A43-G45 PolarHBondContact O-N 3.5Å; G45-F48 PolarHBondContact O-N 3.09Å; G45-G49 PolarHBondContact O-N 2.98Å
46	M	92.4	Very high	91.5	Very high	122 Å²	122	109.5 Å²	109.5	60%	0.601	58%	0.581	S	S	*	*	H	α-helix	trans	-65.5	-39.8	173.6	-67.9	-171.9	-73.2	0	0	112.1	R42 A43 G49 S50	R42-M46 PolarHBondContact O-N 3.42Å; R42-M46 VanDerWaalsContact O-N 3.16Å; A43-M46 HydrophobicContact CB-CE 4.49Å; A43-M46 PolarHBondContact O-N 2.74Å; M46-G49 PolarHBondContact O-N 3.32Å; M46-S50 PolarHBondContact O-N 2.8Å; M46-S50 VanDerWaalsContact O-N 3.13Å; M46-S50 PolarHBondContact O-OG 2.88Å
47	L	93.9	Very high	91.9	Very high	116 Å²	116	108.5 Å²	108.5	61%	0.607	59%	0.586	S	S	*	*	H	α-helix	trans	-62.5	-45.8	175.8	-127.3	161.9	0	0	0	110.9	A43 L44 G49 S50 F51	A43-L47 PolarHBondContact O-N 2.68Å; L44-L47 WeakPolarHBondContact O-CB 3.26Å; L44-L47 PolarHBondContact O-N 3.12Å; L47-G49 VanDerWaalsContact C-N 3.32Å; L47-G49 PolarHBondContact O-N 3.48Å; L47-S50 PolarHBondContact O-N 3.44Å; L47-F51 PolarHBondContact O-N 2.97Å
48	F	93.4	Very high	92.2	Very high	127 Å²	127	108.6 Å²	108.6	56%	0.557	59%	0.586	S	S	*	*	H	α-helix	trans	-60.7	-42	176.3	-154.4	-114.1	0	0	0	111	L44 G45 S50 F51 F52	L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 3.1Å; G45-F48 PolarHBondContact O-N 3.09Å; F48-S50 PolarHBondContact O-N 2.94Å; F48-F51 WeakPolarHBondContact O-CB 3.35Å; F48-F51 PolarHBondContact O-N 3.35Å; F48-F52 HydrophobicContact CD1-CD2 4.24Å; F48-F52 AromaticContact CD1-CE2 3.52Å; F48-F52 HydrophobicContact CD1-CE2 3.52Å; F48-F52 HydrophobicContact CD1-CZ 4.48Å; F48-F52 HydrophobicContact CD2-CE2 4.06Å; F48-F52 HydrophobicContact CE1-CD2 4.31Å; F48-F52 AromaticContact CE1-CE2 3.27Å; F48-F52 HydrophobicContact CE1-CE2 3.27Å; F48-F52 AromaticContact CE1-CZ 3.82Å; F48-F52 HydrophobicContact CE1-CZ 3.82Å; F48-F52 AromaticContact CE2-CE2 3.83Å; F48-F52 HydrophobicContact CE2-CE2 3.83Å; F48-F52 HydrophobicContact CE2-CZ 4.11Å; F48-F52 AromaticContact CG-CE2 3.91Å; F48-F52 HydrophobicContact CG-CE2 3.91Å; F48-F52 AromaticContact CZ-CE2 3.42Å; F48-F52 HydrophobicContact CZ-CE2 3.42Å; F48-F52 VanDerWaalsContact CZ-CE2 3.42Å; F48-F52 AromaticContact CZ-CZ 3.6Å; F48-F52 HydrophobicContact CZ-CZ 3.6Å; F48-F52 WeakPolarHBondContact O-CD2 3.15Å; F48-F52 PolarHBondContact O-N 3.46Å
49	G	91.7	Very high	92.7	Very high	40 Å²	40	111 Å²	111	41%	0.412	60%	0.595	S	S	.	*	H	α-helix	trans	-61.5	-28.8	173.7	0	0	0	0	0	114.2	G45 M46 L47	G45-G49 PolarHBondContact O-N 2.98Å; M46-G49 PolarHBondContact O-N 3.32Å; L47-G49 VanDerWaalsContact C-N 3.32Å; L47-G49 PolarHBondContact O-N 3.48Å
50	S	90.9	Very high	93	Very high	72 Å²	72	111.6 Å²	111.6	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-83.3	-30.5	176.3	-55.9	0	0	0	0	112.2	M46 L47 F48 F52 K53	M46-S50 PolarHBondContact O-N 2.8Å; M46-S50 VanDerWaalsContact O-N 3.13Å; M46-S50 PolarHBondContact O-OG 2.88Å; L47-S50 PolarHBondContact O-N 3.44Å; F48-S50 PolarHBondContact O-N 2.94Å; S50-F52 VanDerWaalsContact C-N 3.29Å; S50-F52 PolarHBondContact O-N 2.98Å; S50-K53 PolarHBondContact O-N 3.05Å; S50-K53 VanDerWaalsContact O-N 3.14Å
51	F	91.6	Very high	93.2	Very high	156 Å²	156	110.1 Å²	110.1	68%	0.684	59%	0.591	S	S	*	*	H	α-helix	trans	-62.6	-32.3	177.9	-174.5	-99.5	0	0	0	113.3	L47 F48	L47-F51 PolarHBondContact O-N 2.97Å; F48-F51 WeakPolarHBondContact O-CB 3.35Å; F48-F51 PolarHBondContact O-N 3.35Å
52	F	92.7	Very high	93.4	Very high	141 Å²	141	113 Å²	113	62%	0.618	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-2.1	176.3	-65.5	-75.9	0	0	0	114.6	F48 S50	F48-F52 HydrophobicContact CD1-CD2 4.24Å; F48-F52 AromaticContact CD1-CE2 3.52Å; F48-F52 HydrophobicContact CD1-CE2 3.52Å; F48-F52 HydrophobicContact CD1-CZ 4.48Å; F48-F52 HydrophobicContact CD2-CE2 4.06Å; F48-F52 HydrophobicContact CE1-CD2 4.31Å; F48-F52 AromaticContact CE1-CE2 3.27Å; F48-F52 HydrophobicContact CE1-CE2 3.27Å; F48-F52 AromaticContact CE1-CZ 3.82Å; F48-F52 HydrophobicContact CE1-CZ 3.82Å; F48-F52 AromaticContact CE2-CE2 3.83Å; F48-F52 HydrophobicContact CE2-CE2 3.83Å; F48-F52 HydrophobicContact CE2-CZ 4.11Å; F48-F52 AromaticContact CG-CE2 3.91Å; F48-F52 HydrophobicContact CG-CE2 3.91Å; F48-F52 AromaticContact CZ-CE2 3.42Å; F48-F52 HydrophobicContact CZ-CE2 3.42Å; F48-F52 VanDerWaalsContact CZ-CE2 3.42Å; F48-F52 AromaticContact CZ-CZ 3.6Å; F48-F52 HydrophobicContact CZ-CZ 3.6Å; F48-F52 WeakPolarHBondContact O-CD2 3.15Å; F48-F52 PolarHBondContact O-N 3.46Å; S50-F52 VanDerWaalsContact C-N 3.29Å; S50-F52 PolarHBondContact O-N 2.98Å
53	K	93.7	Very high	93.6	Very high	148 Å²	148	110.5 Å²	110.5	64%	0.643	60%	0.595	S	S	*	*	S	Bend	trans	-77.6	146.2	172.4	-67.8	179.4	-177.8	176.8	0	109.4	S50	S50-K53 PolarHBondContact O-N 3.05Å; S50-K53 VanDerWaalsContact O-N 3.14Å
54	Q	91.9	Very high	93.7	Very high	188 Å²	188	113.5 Å²	113.5	88%	0.879	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.9	136	173.6	-71.6	179.4	-32.6	0	0	110.1
55	P	93	Very high	93.7	Very high	102 Å²	102	110.1 Å²	110.1	66%	0.662	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-67.7	136.6	178.6	28.7	-34.3	0	0	0	110.1	T57	P55-T57 HydrophobicContact CB-CG2 4.42Å; P55-T57 PolarHBondContact O-N 2.95Å; P55-T57 VanDerWaalsContact O-N 3.1Å
56	A	92.1	Very high	93.7	Very high	111 Å²	111	114.5 Å²	114.5	92%	0.917	61%	0.611	S	S	*	*			trans	-81	26.4	176.4	0	0	0	0	0	112.9
57	T	94.9	Very high	93.8	Very high	112 Å²	112	113.1 Å²	113.1	69%	0.687	61%	0.605	S	S	*	*			trans	-87.2	122.8	-178.3	52.1	0	0	0	0	110.4	P55	P55-T57 HydrophobicContact CB-CG2 4.42Å; P55-T57 PolarHBondContact O-N 2.95Å; P55-T57 VanDerWaalsContact O-N 3.1Å
58	I	94.7	Very high	93.8	Very high	101 Å²	101	110.9 Å²	110.9	52%	0.518	60%	0.599	S	S	.	*			trans	-81.2	147.1	169.3	59.2	173.6	0	0	0	110.6	Y60	I58-Y60 PolarHBondContact O-N 3.33Å; I58-Y60 VanDerWaalsContact O-N 3.13Å
59	N	96	Very high	93.8	Very high	95 Å²	95	107.9 Å²	107.9	51%	0.508	59%	0.593	S	S	.	*			trans	-87.3	71.4	178.9	-171.9	14.1	0	0	0	111.9	F62 E63	N59-F62 PolarHBondContact O-N 2.92Å; N59-E63 PolarHBondContact O-N 3.02Å
60	Y	95.4	Very high	94	Very high	125 Å²	125	112.1 Å²	112.1	49%	0.49	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	133.4	173.8	-171.3	-94.6	0	0	0	110.1	I58 K64 E148	I58-Y60 PolarHBondContact O-N 3.33Å; I58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-K64 HydrophobicContact CD2-CG 4.45Å; Y60-K64 HydrophobicContact CE2-CG 4.33Å; Y60-E148 PolarHBondContact OH-OE1 2.88Å
61	P	96	Very high	94.2	Very high	75 Å²	75	111.8 Å²	111.8	49%	0.487	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	cis	-96.3	-0.4	14	36.9	-36.9	0	0	0	116
62	F	96.2	Very high	94.4	Very high	172 Å²	172	110.7 Å²	110.7	75%	0.754	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-33.4	-175.3	-56.8	-68.5	0	0	0	112.7	N59	N59-F62 PolarHBondContact O-N 2.92Å
63	E	95.2	Very high	94.6	Very high	119 Å²	119	104.1 Å²	104.1	56%	0.556	55%	0.549	S	S	*	.	S	Bend	trans	-117.9	119.4	173.8	-65.7	176.4	178.1	0	0	109	N59	N59-E63 PolarHBondContact O-N 3.02Å
64	K	94	Very high	94.7	Very high	109 Å²	109	97.3 Å²	97.3	47%	0.474	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-99.4	152.2	178	-61.8	-171.7	-178.5	-166.6	0	110.6	Y60 F147 E148	Y60-K64 HydrophobicContact CD2-CG 4.45Å; Y60-K64 HydrophobicContact CE2-CG 4.33Å; K64-F147 HydrophobicContact CD-CZ 4.39Å; K64-E148 WeakPolarHBondContact CE-OE1 3.48Å; K64-E148 IonicContact NZ-OE1 2.74Å; K64-E148 PolarHBondContact NZ-OE1 3.1Å; K64-E148 IonicContact NZ-OE2 2.88Å; K64-E148 PolarHBondContact NZ-OE2 3.04Å
65	G	93.3	Very high	94.9	Very high	36 Å²	36	88.5 Å²	88.5	37%	0.371	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-61.6	149.9	174.3	0	0	0	0	0	111.9	L67	G65-L67 PolarHBondContact O-N 3.11Å
66	P	94.1	Very high	95.1	Very high	138 Å²	138	83.6 Å²	83.6	90%	0.896	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-66.1	131.6	176.4	27.9	-33.8	0	0	0	110.6
67	L	94.3	Very high	95.3	Very high	92 Å²	92	78.5 Å²	78.5	48%	0.482	40%	0.404	S	S	.	.			trans	-111.9	141.6	177.5	-68.3	173.6	0	0	0	111	G65 F71 F147	G65-L67 PolarHBondContact O-N 3.11Å; L67-F71 HydrophobicContact CD2-CD2 3.76Å; L67-F71 HydrophobicContact CD2-CE2 4.07Å; L67-F71 HydrophobicContact CD2-CG 4.04Å; L67-F147 HydrophobicContact CD1-CD1 3.93Å; L67-F147 HydrophobicContact CD1-CE1 3.52Å; L67-F147 HydrophobicContact CD1-CZ 4.47Å
68	S	94.7	Very high	95.4	Very high	69 Å²	69	74 Å²	74	48%	0.483	37%	0.374	S	S	.	.			trans	-78.9	154.3	172.1	75.7	0	0	0	0	111.2	R70 F71	S68-R70 PolarHBondContact O-N 3.16Å; S68-R70 VanDerWaalsContact O-N 3.09Å; S68-R70 PolarHBondContact OG-N 3.01Å; S68-F71 VanDerWaalsContact O-CB 3.23Å; S68-F71 WeakPolarHBondContact O-CB 3.49Å; S68-F71 PolarHBondContact O-N 2.84Å; S68-F71 PolarHBondContact OG-N 3.41Å
69	P	93.9	Very high	95.4	Very high	65 Å²	65	72.9 Å²	72.9	42%	0.422	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.2	173.5	-23.4	33.7	0	0	0	114.2	F71 N178 A181	P69-F71 VanDerWaalsContact C-N 3.29Å; P69-N178 HydrophobicContact CB-CB 4.45Å; P69-A181 HydrophobicContact CB-CB 4.17Å; P69-A181 HydrophobicContact CG-CB 4.29Å
70	R	94.8	Very high	95.3	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.4	178	-64.1	-177.9	175.7	104.5	15.4	113.7	S68 R72 D182 Y185	S68-R70 PolarHBondContact O-N 3.16Å; S68-R70 VanDerWaalsContact O-N 3.09Å; S68-R70 PolarHBondContact OG-N 3.01Å; R70-R72 PolarHBondContact O-N 3.18Å; R70-D182 IonicContact CZ-OD1 3.08Å; R70-D182 IonicContact NE-OD1 2.73Å; R70-D182 PolarHBondContact NE-OD1 2.84Å; R70-D182 IonicContact NH2-OD1 3.31Å; R70-D182 PolarHBondContact NH2-OD1 3.4Å; R70-Y185 VanDerWaalsContact NH2-CB 3.31Å
71	F	96.2	Very high	95.1	Very high	65 Å²	65	72.4 Å²	72.4	29%	0.285	37%	0.372	S	S	.	.			trans	-59.9	139.5	178.9	178.3	-99.6	0	0	0	110.6	L67 S68 P69 F147	L67-F71 HydrophobicContact CD2-CD2 3.76Å; L67-F71 HydrophobicContact CD2-CE2 4.07Å; L67-F71 HydrophobicContact CD2-CG 4.04Å; S68-F71 VanDerWaalsContact O-CB 3.23Å; S68-F71 WeakPolarHBondContact O-CB 3.49Å; S68-F71 PolarHBondContact O-N 2.84Å; S68-F71 PolarHBondContact OG-N 3.41Å; P69-F71 VanDerWaalsContact C-N 3.29Å; F71-F147 HydrophobicContact CE1-CB 3.81Å; F71-F147 HydrophobicContact CE1-CD1 4.02Å; F71-F147 HydrophobicContact CE1-CG 4.3Å; F71-F147 HydrophobicContact CZ-CB 3.71Å; F71-F147 HydrophobicContact CZ-CD1 4.24Å; F71-F147 HydrophobicContact CZ-CG 4.2Å
72	R	96	Very high	94.9	Very high	133 Å²	133	73.6 Å²	73.6	50%	0.502	38%	0.382	S	S	.	.			trans	-109.2	111.4	-176.5	-68.2	-167.7	-67.1	-91	2.8	109.5	R70 Y128 E143	R70-R72 PolarHBondContact O-N 3.18Å; R72-Y128 PolarHBondContact NE-O 3.48Å; R72-E143 HydrophobicContact CB-CB 4.45Å; R72-E143 WeakPolarHBondContact CB-OE2 3.33Å; R72-E143 WeakPolarHBondContact CD-OE2 3.21Å; R72-E143 WeakPolarHBondContact CG-OE2 3.35Å
73	G	95.3	Very high	94.6	Very high	3 Å²	3	67.3 Å²	67.3	3%	0.031	37%	0.365	C	S	.	.			trans	-129.4	-141.3	-177.4	0	0	0	0	0	113.7	Y128 G144 N146	G73-Y128 WeakPolarHBondContact O-CD1 3.37Å; G73-G144 WeakPolarHBondContact CA-O 3.26Å; G73-G144 PolarHBondContact N-O 2.92Å; G73-N146 CarbonylContact C-O 3.52Å; G73-N146 WeakPolarHBondContact CA-O 3.48Å
74	E	96.4	Very high	94.5	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.023	35%	0.353	C	S	.	.	S	Bend	trans	-57.4	136.1	-178.6	-165.6	-179.6	-173.8	0	0	111	V76 G144 N146 F149 Y159 N167	E74-V76 WeakPolarHBondContact O-CG2 3.36Å; E74-G144 WeakPolarHBondContact O-CA 3.15Å; E74-G144 PolarHBondContact O-N 3.37Å; E74-N146 HydrophobicContact CB-CB 4.05Å; E74-N146 PolarHBondContact N-O 2.89Å; E74-N146 PolarHBondContact OE2-ND2 2.98Å; E74-F149 HydrophobicContact CB-CD1 3.74Å; E74-F149 HydrophobicContact CB-CE1 3.68Å; E74-F149 HydrophobicContact CB-CG 4.41Å; E74-F149 HydrophobicContact CB-CZ 4.31Å; E74-F149 HydrophobicContact CG-CD1 4.04Å; E74-F149 HydrophobicContact CG-CE1 4.21Å; E74-F149 HydrophobicContact CG-CG 4.21Å; E74-Y159 HydrophobicContact CG-CE2 3.93Å; E74-Y159 WeakPolarHBondContact OE1-CE2 3.14Å; E74-Y159 PolarHBondContact OE1-OH 3.15Å; E74-N167 PolarHBondContact OE1-ND2 3.28Å
75	H	96.7	Very high	94.5	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.9	-178.7	-67.3	45.5	0	0	0	111.8	I121 M123 C126 Y128 I141 E143 L164	H75-I121 HydrophobicContact CB-CD1 4.35Å; H75-M123 HydrophobicContact CB-CE 3.73Å; H75-C126 PolarHBondContact CE1-SG 3.45Å; H75-C126 PolarHBondContact NE2-SG 3.5Å; H75-C126 VanDerWaalsContact NE2-SG 3.43Å; H75-Y128 AromaticContact CE1-CD1 3.79Å; H75-Y128 AromaticContact CE1-CE1 3.96Å; H75-Y128 AromaticContact ND1-CE1 3.95Å; H75-I141 HydrophobicContact CB-CD1 4.5Å; H75-E143 IonicContact CE1-OE1 2.68Å; H75-E143 IonicContact NE2-OE1 3.95Å; H75-L164 HydrophobicContact CB-CD2 3.82Å; H75-L164 WeakPolarHBondContact O-CD2 3.47Å
76	V	96.6	Very high	94.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.1	-168.5	-156.5	0	0	0	0	110.7	E74 I141 V142 N167 I175	E74-V76 WeakPolarHBondContact O-CG2 3.36Å; V76-I141 WeakPolarHBondContact O-CA 3.49Å; V76-V142 WeakPolarHBondContact CB-O 3.08Å; V76-V142 PolarHBondContact N-O 3.06Å; V76-V142 PolarHBondContact O-N 3.22Å; V76-N167 HydrophobicContact CG1-CB 4.05Å; V76-I175 HydrophobicContact CB-CD1 3.92Å; V76-I175 HydrophobicContact CG1-CD1 3.74Å; V76-I175 HydrophobicContact CG2-CD1 3.7Å
77	L	96.9	Very high	94.6	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.2	169.1	-79.7	174.3	0	0	0	110.2	Y119 A140 I141 K161 L164 L165 G168	L77-Y119 HydrophobicContact CD1-CD1 3.92Å; L77-Y119 HydrophobicContact CD1-CE1 4.33Å; L77-Y119 HydrophobicContact CD1-CG 4.27Å; L77-Y119 HydrophobicContact CD2-CE1 4.35Å; L77-A140 WeakPolarHBondContact CA-O 3.33Å; L77-I141 HydrophobicContact CD2-CB 4.12Å; L77-K161 HydrophobicContact CD1-CG 4.13Å; L77-L164 HydrophobicContact CB-CB 4.14Å; L77-L164 HydrophobicContact CD1-CB 3.82Å; L77-L164 HydrophobicContact CD1-CD1 4.22Å; L77-L164 HydrophobicContact CG-CB 3.88Å; L77-L164 HydrophobicContact CG-CD1 4.49Å; L77-L164 PolarHBondContact N-O 3.47Å; L77-L165 HydrophobicContact CB-CD2 3.76Å; L77-L165 HydrophobicContact CB-CG 4.2Å; L77-L165 HydrophobicContact CD1-CG 4.38Å; L77-G168 WeakPolarHBondContact O-CA 3.37Å
78	R	95.9	Very high	94.6	Very high	17 Å²	17	53.5 Å²	53.5	6%	0.064	28%	0.279	C	S	.	.			trans	-95.3	158.7	-176.4	-63.7	-178.3	71.6	-159.4	7.9	112.8	R86 A140 V142 E172 I175 M179	R78-R86 WeakPolarHBondContact O-CB 3.43Å; R78-R86 PolarHBondContact O-N 2.99Å; R78-R86 VanDerWaalsContact O-N 3.13Å; R78-A140 PolarHBondContact N-O 3.4Å; R78-V142 HydrophobicContact CG-CG2 4.24Å; R78-E172 WeakPolarHBondContact CG-OE2 3.34Å; R78-E172 IonicContact CZ-OE1 2.68Å; R78-E172 IonicContact CZ-OE2 2.74Å; R78-E172 IonicContact NE-OE1 3.64Å; R78-E172 PolarHBondContact NE-OE1 2.83Å; R78-E172 IonicContact NE-OE2 3.11Å; R78-E172 PolarHBondContact NE-OE2 2.85Å; R78-E172 IonicContact NH2-OE1 3.94Å; R78-E172 PolarHBondContact NH2-OE1 2.96Å; R78-E172 IonicContact NH2-OE2 3.99Å; R78-I175 HydrophobicContact CG-CG2 4.45Å; R78-M179 PolarHBondContact NH1-SD 2.82Å
79	R	95.2	Very high	94.7	Very high	78 Å²	78	50.2 Å²	50.2	29%	0.294	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-108.3	160.1	173.7	-64.5	173.2	-177.6	-78.1	-3.4	111	G83 E84 R86 D169	R79-G83 WeakPolarHBondContact CD-O 3.16Å; R79-G83 PolarHBondContact NH1-O 2.91Å; R79-E84 CarbonylContact C-O 3.5Å; R79-E84 VanDerWaalsContact CA-O 3.31Å; R79-E84 WeakPolarHBondContact CA-O 3.47Å; R79-E84 WeakPolarHBondContact CB-O 3.49Å; R79-R86 PolarHBondContact O-NE 3.47Å; R79-D169 WeakPolarHBondContact CD-OD1 3.3Å; R79-D169 IonicContact NE-OD1 2.98Å; R79-D169 PolarHBondContact NE-OD1 2.79Å; R79-D169 VanDerWaalsContact NE-OD1 3.11Å; R79-D169 IonicContact NE-OD2 2.68Å
80	Y	94.3	Very high	94.7	Very high	80 Å²	80	49.5 Å²	49.5	31%	0.314	25%	0.252	S	S	.	.			trans	-70.5	161.1	163.6	-73.4	-69.9	0	0	0	109.8	S82 G83 E84 R86	Y80-S82 WeakPolarHBondContact CB-OG 3.4Å; Y80-S82 PolarHBondContact O-N 3.31Å; Y80-G83 PolarHBondContact O-N 3.14Å; Y80-E84 HydrophobicContact CD2-CB 4.45Å; Y80-E84 PolarHBondContact N-O 3.39Å; Y80-R86 HydrophobicContact CD1-CG 3.98Å; Y80-R86 HydrophobicContact CD2-CG 3.85Å; Y80-R86 HydrophobicContact CE1-CG 3.94Å; Y80-R86 HydrophobicContact CE2-CB 4.2Å; Y80-R86 HydrophobicContact CE2-CG 3.83Å; Y80-R86 HydrophobicContact CG-CG 3.93Å
81	P	91.2	Very high	94.7	Very high	131 Å²	131	47.2 Å²	47.2	85%	0.851	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	172.5	-25	35	0	0	0	114.1	G83	P81-G83 VanDerWaalsContact C-N 3.26Å; P81-G83 PolarHBondContact O-N 3.48Å
82	S	92.2	Very high	94.7	Very high	100 Å²	100	48.2 Å²	48.2	70%	0.699	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.5	173.3	57.2	0	0	0	0	114.4	Y80 E84	Y80-S82 WeakPolarHBondContact CB-OG 3.4Å; Y80-S82 PolarHBondContact O-N 3.31Å; S82-E84 VanDerWaalsContact C-N 3.33Å
83	G	90.3	Very high	94.7	Very high	39 Å²	39	42.2 Å²	42.2	40%	0.402	23%	0.232	S	C	.	.	S	Bend	trans	89.6	-10.6	-175.4	0	0	0	0	0	114.7	R79 Y80 P81	R79-G83 WeakPolarHBondContact CD-O 3.16Å; R79-G83 PolarHBondContact NH1-O 2.91Å; Y80-G83 PolarHBondContact O-N 3.14Å; P81-G83 VanDerWaalsContact C-N 3.26Å; P81-G83 PolarHBondContact O-N 3.48Å
84	E	92.5	Very high	94.7	Very high	64 Å²	64	44.7 Å²	44.7	30%	0.299	24%	0.243	S	C	.	.			trans	-73.8	143.8	178.3	-177.1	59.2	-168.2	0	0	111.5	R79 Y80 S82 R115	R79-E84 CarbonylContact C-O 3.5Å; R79-E84 VanDerWaalsContact CA-O 3.31Å; R79-E84 WeakPolarHBondContact CA-O 3.47Å; R79-E84 WeakPolarHBondContact CB-O 3.49Å; Y80-E84 HydrophobicContact CD2-CB 4.45Å; Y80-E84 PolarHBondContact N-O 3.39Å; S82-E84 VanDerWaalsContact C-N 3.33Å; E84-R115 VanDerWaalsContact CG-NH2 3.3Å; E84-R115 IonicContact OE1-CZ 3.88Å; E84-R115 VanDerWaalsContact OE1-CZ 3.31Å; E84-R115 IonicContact OE1-NE 2.78Å; E84-R115 PolarHBondContact OE1-NE 3.18Å; E84-R115 VanDerWaalsContact OE1-NE 3.08Å; E84-R115 IonicContact OE1-NH2 3.31Å; E84-R115 PolarHBondContact OE1-NH2 3.09Å
85	E	93.5	Very high	94.7	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.061	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-66.3	140.4	177.8	63.2	-178.8	-178.7	0	0	112.4	C87 R115 K161	E85-C87 VanDerWaalsContact C-N 3.35Å; E85-R115 PolarHBondContact O-NH1 3.09Å; E85-R115 PolarHBondContact O-NH2 3.48Å; E85-R115 VanDerWaalsContact OE1-CD 3.29Å; E85-R115 WeakPolarHBondContact OE1-CD 3.5Å; E85-R115 IonicContact OE1-NE 3.08Å; E85-K161 VanDerWaalsContact CD-NZ 3.27Å; E85-K161 IonicContact OE1-NZ 3.86Å; E85-K161 PolarHBondContact OE1-NZ 3.08Å; E85-K161 WeakPolarHBondContact OE2-CE 3.29Å; E85-K161 IonicContact OE2-NZ 3.35Å; E85-K161 PolarHBondContact OE2-NZ 3.29Å
86	R	94.6	Very high	94.8	Very high	45 Å²	45	52.2 Å²	52.2	17%	0.17	29%	0.294	C	S	.	.			trans	-73.4	-27.8	179.4	-75.3	174.9	176.4	-96.9	0.1	113	R78 R79 Y80 I88 V138 D139 A140	R78-R86 WeakPolarHBondContact O-CB 3.43Å; R78-R86 PolarHBondContact O-N 2.99Å; R78-R86 VanDerWaalsContact O-N 3.13Å; R79-R86 PolarHBondContact O-NE 3.47Å; Y80-R86 HydrophobicContact CD1-CG 3.98Å; Y80-R86 HydrophobicContact CD2-CG 3.85Å; Y80-R86 HydrophobicContact CE1-CG 3.94Å; Y80-R86 HydrophobicContact CE2-CB 4.2Å; Y80-R86 HydrophobicContact CE2-CG 3.83Å; Y80-R86 HydrophobicContact CG-CG 3.93Å; R86-I88 PolarHBondContact O-N 3.47Å; R86-V138 PolarHBondContact NH1-O 3.19Å; R86-V138 WeakPolarHBondContact O-CG2 3.33Å; R86-D139 WeakPolarHBondContact CD-O 3.37Å; R86-A140 HydrophobicContact CB-CB 3.71Å
87	C	95.9	Very high	94.8	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.081	30%	0.301	C	S	.	.			trans	-64.5	121.9	-173.5	-172.8	0	0	0	0	112.1	E85 R115 A140	E85-C87 VanDerWaalsContact C-N 3.35Å; C87-R115 WeakPolarHBondContact O-CD 3.48Å; C87-R115 PolarHBondContact O-NH1 3.26Å; C87-A140 HydrophobicContact CB-CB 3.94Å
88	I	94.5	Very high	94.9	Very high	70 Å²	70	56.8 Å²	56.8	36%	0.359	32%	0.324	S	S	.	.			trans	-103.2	15.2	177.1	57.4	168.7	0	0	0	113.1	R86 C90 P137 V138	R86-I88 PolarHBondContact O-N 3.47Å; I88-C90 VanDerWaalsContact C-N 3.27Å; I88-C90 HydrophobicContact CD1-CB 4.39Å; I88-C90 HydrophobicContact CG1-CB 4.23Å; I88-C90 PolarHBondContact O-N 3.47Å; I88-P137 HydrophobicContact CD1-CG 4.47Å; I88-V138 HydrophobicContact CD1-CG1 4.09Å; I88-V138 HydrophobicContact CG1-CG2 4.3Å
89	A	95.2	Very high	94.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.008	34%	0.336	C	S	.	.			trans	52.2	39.3	179.3	0	0	0	0	0	114.6	K91 A106 R114 T116	A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 3.3Å; A89-A106 HydrophobicContact CB-CB 3.61Å; A89-R114 HydrophobicContact CB-CG 4.4Å; A89-T116 HydrophobicContact CB-CG2 3.49Å; A89-T116 VanDerWaalsContact CB-CG2 3.49Å
90	C	95.2	Very high	95	Very high	50 Å²	50	61.5 Å²	61.5	34%	0.338	36%	0.357	S	S	.	.			trans	-73.5	-13.7	179.9	63.1	0	0	0	0	114.2	I88 L92	I88-C90 VanDerWaalsContact C-N 3.27Å; I88-C90 HydrophobicContact CD1-CB 4.39Å; I88-C90 HydrophobicContact CG1-CB 4.23Å; I88-C90 PolarHBondContact O-N 3.47Å; C90-L92 HydrophobicContact CB-CD1 4.38Å; C90-L92 HydrophobicContact CB-CG 4.36Å; C90-L92 PolarHBondContact O-N 3.09Å; C90-L92 VanDerWaalsContact O-N 3.11Å
91	K	94.7	Very high	95.1	Very high	80 Å²	80	58 Å²	58	35%	0.348	34%	0.344	S	S	.	.			trans	59.8	12.8	-179.3	-56.9	-167.9	174	-156.2	0	116.3	A89 C93 E94 A95 I104	A89-K91 VanDerWaalsContact C-N 3.26Å; A89-K91 PolarHBondContact O-N 3.3Å; K91-C93 PolarHBondContact O-N 3.45Å; K91-E94 PolarHBondContact O-N 3.48Å; K91-A95 PolarHBondContact O-N 3.37Å; K91-A95 VanDerWaalsContact O-N 3.12Å; K91-I104 WeakPolarHBondContact CE-O 3.31Å; K91-I104 HydrophobicContact CG-CB 4.27Å; K91-I104 HydrophobicContact CG-CG2 4.17Å; K91-I104 PolarHBondContact NZ-O 3.05Å
92	L	96	Very high	95.4	Very high	86 Å²	86	52.1 Å²	52.1	45%	0.45	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175.3	-69.5	170.1	0	0	0	112.1	C90 E94 A95 I96 P137	C90-L92 HydrophobicContact CB-CD1 4.38Å; C90-L92 HydrophobicContact CB-CG 4.36Å; C90-L92 PolarHBondContact O-N 3.09Å; C90-L92 VanDerWaalsContact O-N 3.11Å; L92-E94 VanDerWaalsContact C-N 3.27Å; L92-E94 PolarHBondContact O-N 3.2Å; L92-A95 PolarHBondContact O-N 3.37Å; L92-I96 PolarHBondContact O-N 3.31Å; L92-P137 HydrophobicContact CD1-CG 4.16Å
93	C	96.2	Very high	95.6	Very high	7 Å²	7	50 Å²	50	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-33	178.7	-51.1	0	0	0	0	112.4	K91 C97 I102 C132 I141	K91-C93 PolarHBondContact O-N 3.45Å; C93-C97 WeakPolarHBondContact O-CB 3.46Å; C93-C97 PolarHBondContact O-N 3.47Å; C93-I102 HydrophobicContact CB-CD1 4.22Å; C93-C132 HydrophobicContact CB-CB 4.22Å; C93-I141 HydrophobicContact CB-CG2 4.37Å; C93-I141 VanDerWaalsContact SG-CG2 3.59Å
94	E	95.7	Very high	95.9	Very high	55 Å²	55	48.4 Å²	48.4	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-43.3	174.8	175.3	175	-145.4	0	0	110.9	K91 L92 I104	K91-E94 PolarHBondContact O-N 3.48Å; L92-E94 VanDerWaalsContact C-N 3.27Å; L92-E94 PolarHBondContact O-N 3.2Å; E94-I104 HydrophobicContact CB-CD1 3.79Å; E94-I104 HydrophobicContact CB-CG1 4.16Å; E94-I104 PolarHBondContact OE1-N 3.09Å
95	A	96.3	Very high	96	Very high	87 Å²	87	49.6 Å²	49.6	72%	0.719	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-37.6	179.2	0	0	0	0	0	113.4	K91 L92	K91-A95 PolarHBondContact O-N 3.37Å; K91-A95 VanDerWaalsContact O-N 3.12Å; L92-A95 PolarHBondContact O-N 3.37Å
96	I	97.6	Very high	96	Very high	79 Å²	79	50.6 Å²	50.6	41%	0.405	29%	0.287	S	S	.	.	H	α-helix	trans	-82.5	-15.6	-177	-156.3	59.2	0	0	0	113.3	L92 P98 L131 A135	L92-I96 PolarHBondContact O-N 3.31Å; I96-P98 VanDerWaalsContact O-CD 3.24Å; I96-P98 WeakPolarHBondContact O-CD 3.47Å; I96-P98 VanDerWaalsContact O-N 3.14Å; I96-L131 HydrophobicContact CG1-CB 4.29Å; I96-L131 HydrophobicContact CG2-CB 4.29Å; I96-A135 HydrophobicContact CB-CB 4.28Å; I96-A135 HydrophobicContact CG1-CB 4.39Å; I96-A135 HydrophobicContact CG2-CB 3.76Å
97	C	97.6	Very high	95.8	Very high	19 Å²	19	54.3 Å²	54.3	13%	0.128	31%	0.306	C	S	.	.			trans	-65.9	113.7	-174.3	-174.7	0	0	0	0	110.6	C93 A99 Q100 A101 I102	C93-C97 WeakPolarHBondContact O-CB 3.46Å; C93-C97 PolarHBondContact O-N 3.47Å; C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 2.92Å; C97-Q100 PolarHBondContact O-N 3.02Å; C97-Q100 VanDerWaalsContact O-N 3.09Å; C97-A101 PolarHBondContact SG-N 2.91Å; C97-I102 HydrophobicContact CB-CD1 4.47Å; C97-I102 HydrophobicContact CB-CG1 4.36Å
98	P	97.7	Very high	95.5	Very high	79 Å²	79	61.1 Å²	61.1	51%	0.513	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.5	-173.6	26.5	-34.6	0	0	0	112.6	I96 I127 L131	I96-P98 VanDerWaalsContact O-CD 3.24Å; I96-P98 WeakPolarHBondContact O-CD 3.47Å; I96-P98 VanDerWaalsContact O-N 3.14Å; P98-I127 HydrophobicContact CG-CD1 3.73Å; P98-I127 HydrophobicContact CG-CG1 4.23Å; P98-L131 HydrophobicContact CG-CD1 4.27Å
99	A	97.2	Very high	95.1	Very high	38 Å²	38	63.3 Å²	63.3	31%	0.314	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.4	177.8	0	0	0	0	0	113.5	C97 A101 K125 I127	C97-A99 VanDerWaalsContact C-N 3.26Å; C97-A99 PolarHBondContact O-N 2.92Å; A99-A101 PolarHBondContact O-N 3.03Å; A99-K125 WeakPolarHBondContact CB-O 3.37Å; A99-I127 HydrophobicContact CB-CG2 4.37Å
100	Q	96.1	Very high	94.7	Very high	157 Å²	157	69.4 Å²	69.4	73%	0.734	38%	0.38	S	S	*	.			trans	48.5	45.3	-175.9	-60.7	-178.5	-18.6	0	0	112.7	C97	C97-Q100 PolarHBondContact O-N 3.02Å; C97-Q100 VanDerWaalsContact O-N 3.09Å
101	A	97.2	Very high	94.2	Very high	5 Å²	5	73.1 Å²	73.1	4%	0.041	40%	0.396	C	S	.	.			trans	-81.3	-16.5	-177.7	0	0	0	0	0	113.6	C97 A99 D122 K125 C126	C97-A101 PolarHBondContact SG-N 2.91Å; A99-A101 PolarHBondContact O-N 3.03Å; A101-D122 PolarHBondContact O-N 3.47Å; A101-K125 HydrophobicContact CB-CB 3.67Å; A101-C126 HydrophobicContact CB-CB 4.3Å
102	I	96.9	Very high	93.8	Very high	8 Å²	8	72.2 Å²	72.2	4%	0.041	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.6	-173.6	-48.5	-173.8	0	0	0	109	C93 C97 I104 Y119 D120 I121 C132	C93-I102 HydrophobicContact CB-CD1 4.22Å; C97-I102 HydrophobicContact CB-CD1 4.47Å; C97-I102 HydrophobicContact CB-CG1 4.36Å; I102-I104 HydrophobicContact CG2-CD1 3.95Å; I102-I104 HydrophobicContact CG2-CG1 3.73Å; I102-Y119 HydrophobicContact CG2-CE1 4.3Å; I102-Y119 HydrophobicContact CG2-CE2 4.38Å; I102-D120 WeakPolarHBondContact CA-O 3.47Å; I102-I121 HydrophobicContact CB-CG1 4.48Å; I102-I121 HydrophobicContact CD1-CD1 4.19Å; I102-I121 HydrophobicContact CG1-CD1 4.2Å; I102-I121 HydrophobicContact CG1-CG1 4.04Å; I102-I121 HydrophobicContact CG2-CG1 4.2Å; I102-C132 HydrophobicContact CD1-CB 4.24Å
103	T	96.6	Very high	93.4	Very high	56 Å²	56	69.8 Å²	69.8	34%	0.344	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	171.8	-53.8	0	0	0	0	109.7	D120	T103-D120 PolarHBondContact N-O 3.23Å; T103-D120 PolarHBondContact O-N 3.31Å
104	I	96.2	Very high	93	Very high	6 Å²	6	76 Å²	76	3%	0.031	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	-173.9	-51.9	176.4	0	0	0	111.5	K91 E94 I102 T116 R118 Y119	K91-I104 WeakPolarHBondContact CE-O 3.31Å; K91-I104 HydrophobicContact CG-CB 4.27Å; K91-I104 HydrophobicContact CG-CG2 4.17Å; K91-I104 PolarHBondContact NZ-O 3.05Å; E94-I104 HydrophobicContact CB-CD1 3.79Å; E94-I104 HydrophobicContact CB-CG1 4.16Å; E94-I104 PolarHBondContact OE1-N 3.09Å; I102-I104 HydrophobicContact CG2-CD1 3.95Å; I102-I104 HydrophobicContact CG2-CG1 3.73Å; I104-T116 HydrophobicContact CG2-CG2 3.59Å; I104-R118 WeakPolarHBondContact CA-O 3.14Å; I104-Y119 HydrophobicContact CB-CD2 4.49Å; I104-Y119 HydrophobicContact CD1-CD2 3.81Å; I104-Y119 HydrophobicContact CD1-CE2 3.38Å; I104-Y119 HydrophobicContact CG1-CD2 3.67Å; I104-Y119 HydrophobicContact CG1-CE2 3.73Å; I104-Y119 HydrophobicContact CG2-CD2 4.17Å
105	E	95	Very high	92.8	Very high	89 Å²	89	75 Å²	75	42%	0.416	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.4	167.9	-64.1	165.5	-157.6	0	0	109.4	T116 T117 R118	E105-T116 VanDerWaalsContact O-CA 3.27Å; E105-T116 WeakPolarHBondContact O-CA 3.24Å; E105-T117 PolarHBondContact O-N 3.41Å; E105-T117 PolarHBondContact O-OG1 2.77Å; E105-R118 HydrophobicContact CB-CB 3.93Å; E105-R118 HydrophobicContact CG-CB 4.3Å; E105-R118 PolarHBondContact N-O 3.41Å; E105-R118 IonicContact OE1-NH1 3.19Å; E105-R118 PolarHBondContact OE1-NH1 3.03Å
106	A	92.7	Very high	92.5	Very high	33 Å²	33	71.1 Å²	71.1	27%	0.273	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.1	-171.1	0	0	0	0	0	109.9	A89 R115	A89-A106 HydrophobicContact CB-CB 3.61Å; A106-R115 WeakPolarHBondContact CA-O 3.31Å
107	E	91.1	Very high	92.1	Very high	123 Å²	123	70.6 Å²	70.6	58%	0.575	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	158.6	174.2	-64.2	-178.6	-174.1	0	0	110.1	R115 T117	E107-R115 PolarHBondContact N-O 2.98Å; E107-R115 PolarHBondContact O-N 2.71Å; E107-R115 VanDerWaalsContact O-O 3.06Å; E107-T117 HydrophobicContact CB-CG2 3.77Å; E107-T117 HydrophobicContact CG-CG2 3.63Å; E107-T117 WeakPolarHBondContact OE2-CG2 3.39Å
108	E	90.2	Very high	92	Very high	156 Å²	156	74 Å²	74	73%	0.729	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.5	172.9	-70.3	-179.2	176.1	0	0	109.5
109	R	85.2	Confident	91.9	Very high	116 Å²	116	70.5 Å²	70.5	44%	0.438	37%	0.371	S	S	.	.			trans	-71.1	155.4	173	-161	172.7	-159	154.3	8.3	109.3	D111 G112 S113	R109-D111 WeakPolarHBondContact CD-OD2 3.3Å; R109-D111 IonicContact NE-OD2 3.11Å; R109-D111 PolarHBondContact O-N 2.92Å; R109-G112 PolarHBondContact O-N 2.87Å; R109-S113 WeakPolarHBondContact CB-O 3.43Å; R109-S113 PolarHBondContact N-O 3.46Å
110	P	86.9	Confident	91.9	Very high	128 Å²	128	69.7 Å²	69.7	83%	0.831	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-25.8	170.8	13.2	-31.3	0	0	0	115	G112	P110-G112 PolarHBondContact O-N 2.73Å
111	D	85.8	Confident	91.9	Very high	128 Å²	128	62.2 Å²	62.2	68%	0.684	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	2.9	177.2	-50	-44.9	0	0	0	113.6	R109 S113	R109-D111 WeakPolarHBondContact CD-OD2 3.3Å; R109-D111 IonicContact NE-OD2 3.11Å; R109-D111 PolarHBondContact O-N 2.92Å; D111-S113 PolarHBondContact O-N 2.68Å
112	G	86	Confident	91.9	Very high	61 Å²	61	63 Å²	63	63%	0.629	33%	0.33	S	S	*	.	S	Bend	trans	74.2	0.4	-174.5	0	0	0	0	0	114.3	R109 P110	R109-G112 PolarHBondContact O-N 2.87Å; P110-G112 PolarHBondContact O-N 2.73Å
113	S	86.8	Confident	91.8	Very high	35 Å²	35	63 Å²	63	25%	0.245	33%	0.33	C	S	.	.			trans	-81.7	136.4	175.4	65.1	0	0	0	0	111.1	R109 D111	R109-S113 WeakPolarHBondContact CB-O 3.43Å; R109-S113 PolarHBondContact N-O 3.46Å; D111-S113 PolarHBondContact O-N 2.68Å
114	R	88.5	Confident	91.7	Very high	138 Å²	138	63.4 Å²	63.4	52%	0.521	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.6	178.4	-172.4	173.3	160.4	148.1	-4.6	110.1	A89	A89-R114 HydrophobicContact CB-CG 4.4Å
115	R	90.4	Very high	91.8	Very high	33 Å²	33	68.6 Å²	68.6	13%	0.125	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.3	-175.6	-65.4	-57.1	-172.2	-153.4	-2	111.6	E84 E85 C87 A106 E107	E84-R115 VanDerWaalsContact CG-NH2 3.3Å; E84-R115 IonicContact OE1-CZ 3.88Å; E84-R115 VanDerWaalsContact OE1-CZ 3.31Å; E84-R115 IonicContact OE1-NE 2.78Å; E84-R115 PolarHBondContact OE1-NE 3.18Å; E84-R115 VanDerWaalsContact OE1-NE 3.08Å; E84-R115 IonicContact OE1-NH2 3.31Å; E84-R115 PolarHBondContact OE1-NH2 3.09Å; E85-R115 PolarHBondContact O-NH1 3.09Å; E85-R115 PolarHBondContact O-NH2 3.48Å; E85-R115 VanDerWaalsContact OE1-CD 3.29Å; E85-R115 WeakPolarHBondContact OE1-CD 3.5Å; E85-R115 IonicContact OE1-NE 3.08Å; C87-R115 WeakPolarHBondContact O-CD 3.48Å; C87-R115 PolarHBondContact O-NH1 3.26Å; A106-R115 WeakPolarHBondContact CA-O 3.31Å; E107-R115 PolarHBondContact N-O 2.98Å; E107-R115 PolarHBondContact O-N 2.71Å; E107-R115 VanDerWaalsContact O-O 3.06Å
116	T	90.2	Very high	91.9	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.037	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.1	177.2	53.5	0	0	0	0	110.3	A89 I104 E105 Y119 K161	A89-T116 HydrophobicContact CB-CG2 3.49Å; A89-T116 VanDerWaalsContact CB-CG2 3.49Å; I104-T116 HydrophobicContact CG2-CG2 3.59Å; E105-T116 VanDerWaalsContact O-CA 3.27Å; E105-T116 WeakPolarHBondContact O-CA 3.24Å; T116-Y119 HydrophobicContact CG2-CD2 4.12Å; T116-K161 PolarHBondContact O-NZ 2.87Å; T116-K161 VanDerWaalsContact OG1-CE 3.23Å; T116-K161 WeakPolarHBondContact OG1-CE 3.39Å; T116-K161 PolarHBondContact OG1-NZ 3.43Å; T116-K161 VanDerWaalsContact OG1-NZ 3.12Å
117	T	90.9	Very high	92.1	Very high	68 Å²	68	68.7 Å²	68.7	42%	0.417	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-43.3	167	44.5	0	0	0	0	110.1	E105 E107	E105-T117 PolarHBondContact O-N 3.41Å; E105-T117 PolarHBondContact O-OG1 2.77Å; E107-T117 HydrophobicContact CB-CG2 3.77Å; E107-T117 HydrophobicContact CG-CG2 3.63Å; E107-T117 WeakPolarHBondContact OE2-CG2 3.39Å
118	R	94	Very high	92.4	Very high	92 Å²	92	66 Å²	66	35%	0.347	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.8	177.4	-165.9	173.8	171	-116.3	-14.8	110	I104 E105 D120	I104-R118 WeakPolarHBondContact CA-O 3.14Å; E105-R118 HydrophobicContact CB-CB 3.93Å; E105-R118 HydrophobicContact CG-CB 4.3Å; E105-R118 PolarHBondContact N-O 3.41Å; E105-R118 IonicContact OE1-NH1 3.19Å; E105-R118 PolarHBondContact OE1-NH1 3.03Å; R118-D120 IonicContact CZ-OD2 2.68Å; R118-D120 IonicContact NE-OD2 3.55Å; R118-D120 PolarHBondContact NE-OD2 3.18Å; R118-D120 IonicContact NH2-OD2 3.76Å; R118-D120 PolarHBondContact NH2-OD2 3.33Å
119	Y	96.3	Very high	92.7	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	91.4	174.8	-169	-77.9	0	0	0	106.8	L77 I102 I104 T116 I121 I141 N160 K161 L164	L77-Y119 HydrophobicContact CD1-CD1 3.92Å; L77-Y119 HydrophobicContact CD1-CE1 4.33Å; L77-Y119 HydrophobicContact CD1-CG 4.27Å; L77-Y119 HydrophobicContact CD2-CE1 4.35Å; I102-Y119 HydrophobicContact CG2-CE1 4.3Å; I102-Y119 HydrophobicContact CG2-CE2 4.38Å; I104-Y119 HydrophobicContact CB-CD2 4.49Å; I104-Y119 HydrophobicContact CD1-CD2 3.81Å; I104-Y119 HydrophobicContact CD1-CE2 3.38Å; I104-Y119 HydrophobicContact CG1-CD2 3.67Å; I104-Y119 HydrophobicContact CG1-CE2 3.73Å; I104-Y119 HydrophobicContact CG2-CD2 4.17Å; T116-Y119 HydrophobicContact CG2-CD2 4.12Å; Y119-I121 HydrophobicContact CD1-CG1 4.43Å; Y119-I121 HydrophobicContact CE1-CD1 3.74Å; Y119-I121 HydrophobicContact CE1-CG1 3.97Å; Y119-I141 HydrophobicContact CE1-CD1 3.88Å; Y119-I141 WeakPolarHBondContact OH-CD1 3.39Å; Y119-N160 CarbonylContact O-C 3.59Å; Y119-K161 VanDerWaalsContact O-CA 3.31Å; Y119-K161 WeakPolarHBondContact O-CA 3.36Å; Y119-K161 PolarHBondContact O-N 3.46Å; Y119-L164 HydrophobicContact CD1-CD1 3.54Å; Y119-L164 HydrophobicContact CE1-CD1 3.81Å
120	D	96.3	Very high	93.1	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.3	-173	-61.3	-5.1	0	0	0	109.8	I102 T103 R118 Y159	I102-D120 WeakPolarHBondContact CA-O 3.47Å; T103-D120 PolarHBondContact N-O 3.23Å; T103-D120 PolarHBondContact O-N 3.31Å; R118-D120 IonicContact CZ-OD2 2.68Å; R118-D120 IonicContact NE-OD2 3.55Å; R118-D120 PolarHBondContact NE-OD2 3.18Å; R118-D120 IonicContact NH2-OD2 3.76Å; R118-D120 PolarHBondContact NH2-OD2 3.33Å; D120-Y159 CarbonylContact C-O 3.51Å; D120-Y159 WeakPolarHBondContact CA-O 3.28Å
121	I	97	Very high	93.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.2	175.6	-59.3	-173.1	0	0	0	108.7	H75 I102 Y119 M123 I141 Y159 L164	H75-I121 HydrophobicContact CB-CD1 4.35Å; I102-I121 HydrophobicContact CB-CG1 4.48Å; I102-I121 HydrophobicContact CD1-CD1 4.19Å; I102-I121 HydrophobicContact CG1-CD1 4.2Å; I102-I121 HydrophobicContact CG1-CG1 4.04Å; I102-I121 HydrophobicContact CG2-CG1 4.2Å; Y119-I121 HydrophobicContact CD1-CG1 4.43Å; Y119-I121 HydrophobicContact CE1-CD1 3.74Å; Y119-I121 HydrophobicContact CE1-CG1 3.97Å; I121-M123 HydrophobicContact CB-CE 3.91Å; I121-M123 HydrophobicContact CG2-CE 3.59Å; I121-M123 HydrophobicContact CG2-SD 3.82Å; I121-M123 PolarHBondContact O-N 3.22Å; I121-I141 HydrophobicContact CD1-CD1 3.43Å; I121-I141 VanDerWaalsContact CD1-CD1 3.43Å; I121-Y159 PolarHBondContact N-O 3.33Å; I121-Y159 PolarHBondContact O-N 2.98Å; I121-L164 HydrophobicContact CD1-CD1 4.02Å; I121-L164 HydrophobicContact CD1-CD2 4.45Å; I121-L164 HydrophobicContact CG1-CD1 4.05Å
122	D	96.9	Very high	94.1	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.7	170.3	-174	-11.7	0	0	0	109.7	A101 C124 K125 C126	A101-D122 PolarHBondContact O-N 3.47Å; D122-C124 PolarHBondContact O-N 3.02Å; D122-C124 VanDerWaalsContact OD1-CB 3.23Å; D122-C124 WeakPolarHBondContact OD1-CB 3.23Å; D122-C124 PolarHBondContact OD1-N 3.43Å; D122-K125 HydrophobicContact CB-CB 4.27Å; D122-K125 HydrophobicContact CB-CD 4.11Å; D122-K125 HydrophobicContact CB-CG 4.22Å; D122-K125 PolarHBondContact O-N 3.33Å; D122-K125 WeakPolarHBondContact OD2-CD 3.48Å; D122-K125 VanDerWaalsContact OD2-CE 3.26Å; D122-K125 WeakPolarHBondContact OD2-CE 3.17Å; D122-K125 WeakPolarHBondContact OD2-CG 3.19Å; D122-K125 IonicContact OD2-NZ 2.83Å; D122-C126 PolarHBondContact O-N 3.05Å
123	M	95.8	Very high	94.5	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.044	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.7	179.6	-60.9	-58.2	168	0	0	112.7	H75 I121 K125 C126 L157 Y159 L164	H75-M123 HydrophobicContact CB-CE 3.73Å; I121-M123 HydrophobicContact CB-CE 3.91Å; I121-M123 HydrophobicContact CG2-CE 3.59Å; I121-M123 HydrophobicContact CG2-SD 3.82Å; I121-M123 PolarHBondContact O-N 3.22Å; M123-K125 VanDerWaalsContact C-N 3.31Å; M123-C126 HydrophobicContact SD-CB 4.39Å; M123-L157 HydrophobicContact CB-CB 4.21Å; M123-L157 HydrophobicContact CB-CD2 4.36Å; M123-L157 VanDerWaalsContact CB-O 3.25Å; M123-L157 WeakPolarHBondContact CB-O 3.36Å; M123-L157 WeakPolarHBondContact CG-O 3.49Å; M123-L157 PolarHBondContact N-O 3.03Å; M123-Y159 HydrophobicContact CE-CD2 3.17Å; M123-Y159 HydrophobicContact CE-CE2 3.6Å; M123-Y159 HydrophobicContact CE-CG 3.78Å; M123-Y159 HydrophobicContact CG-CD1 4.17Å; M123-Y159 HydrophobicContact CG-CD2 4.1Å; M123-Y159 HydrophobicContact CG-CE1 4.12Å; M123-Y159 HydrophobicContact CG-CE2 4.05Å; M123-Y159 HydrophobicContact CG-CG 4.14Å; M123-Y159 HydrophobicContact SD-CD2 4.45Å; M123-L164 HydrophobicContact CE-CD2 4.2Å
124	C	94.6	Very high	94.9	Very high	65 Å²	65	50.3 Å²	50.3	44%	0.439	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-22.6	171.8	-59.1	0	0	0	0	112.5	D122	D122-C124 PolarHBondContact O-N 3.02Å; D122-C124 VanDerWaalsContact OD1-CB 3.23Å; D122-C124 WeakPolarHBondContact OD1-CB 3.23Å; D122-C124 PolarHBondContact OD1-N 3.43Å
125	K	96.9	Very high	95.3	Very high	114 Å²	114	45.3 Å²	45.3	50%	0.496	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-28.5	174.6	-67.4	178.3	-172.3	172.6	0	112.5	A99 A101 D122 M123 I127	A99-K125 WeakPolarHBondContact CB-O 3.37Å; A101-K125 HydrophobicContact CB-CB 3.67Å; D122-K125 HydrophobicContact CB-CB 4.27Å; D122-K125 HydrophobicContact CB-CD 4.11Å; D122-K125 HydrophobicContact CB-CG 4.22Å; D122-K125 PolarHBondContact O-N 3.33Å; D122-K125 WeakPolarHBondContact OD2-CD 3.48Å; D122-K125 VanDerWaalsContact OD2-CE 3.26Å; D122-K125 WeakPolarHBondContact OD2-CE 3.17Å; D122-K125 WeakPolarHBondContact OD2-CG 3.19Å; D122-K125 IonicContact OD2-NZ 2.83Å; M123-K125 VanDerWaalsContact C-N 3.31Å; K125-I127 PolarHBondContact O-N 2.78Å
126	C	97.2	Very high	95.5	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.115	23%	0.23	C	C	.	.			trans	-62.2	133.3	-179.3	-170.2	0	0	0	0	111.5	H75 A101 D122 M123 Y128	H75-C126 PolarHBondContact CE1-SG 3.45Å; H75-C126 PolarHBondContact NE2-SG 3.5Å; H75-C126 VanDerWaalsContact NE2-SG 3.43Å; A101-C126 HydrophobicContact CB-CB 4.3Å; D122-C126 PolarHBondContact O-N 3.05Å; M123-C126 HydrophobicContact SD-CB 4.39Å; C126-Y128 PolarHBondContact SG-N 2.87Å
127	I	97.1	Very high	95.8	Very high	107 Å²	107	47.7 Å²	47.7	55%	0.549	25%	0.253	S	S	.	.			trans	-103.3	9.4	178.5	64.8	166.5	0	0	0	113.3	P98 A99 K125 C129	P98-I127 HydrophobicContact CG-CD1 3.73Å; P98-I127 HydrophobicContact CG-CG1 4.23Å; A99-I127 HydrophobicContact CB-CG2 4.37Å; K125-I127 PolarHBondContact O-N 2.78Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 HydrophobicContact CD1-CB 4.22Å; I127-C129 HydrophobicContact CG1-CB 4.08Å; I127-C129 PolarHBondContact O-N 3.39Å
128	Y	97.1	Very high	96	Very high	66 Å²	66	45.9 Å²	45.9	26%	0.259	24%	0.241	S	C	.	.			trans	52.1	43	177	-56.9	-87.8	0	0	0	114.1	R72 G73 H75 C126 F149	R72-Y128 PolarHBondContact NE-O 3.48Å; G73-Y128 WeakPolarHBondContact O-CD1 3.37Å; H75-Y128 AromaticContact CE1-CD1 3.79Å; H75-Y128 AromaticContact CE1-CE1 3.96Å; H75-Y128 AromaticContact ND1-CE1 3.95Å; C126-Y128 PolarHBondContact SG-N 2.87Å; Y128-F149 AromaticContact CE1-CZ 3.97Å; Y128-F149 HydrophobicContact CE1-CZ 3.97Å; Y128-F149 AromaticContact CZ-CZ 3.94Å; Y128-F149 WeakPolarHBondContact OH-CE2 3.36Å; Y128-F149 WeakPolarHBondContact OH-CZ 3.46Å
129	C	96.8	Very high	96.1	Very high	45 Å²	45	44.3 Å²	44.3	30%	0.304	24%	0.24	S	C	.	.			trans	-80.6	-17.3	-178.7	63.6	0	0	0	0	114	I127 L131	I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 HydrophobicContact CD1-CB 4.22Å; I127-C129 HydrophobicContact CG1-CB 4.08Å; I127-C129 PolarHBondContact O-N 3.39Å; C129-L131 VanDerWaalsContact C-N 3.27Å; C129-L131 HydrophobicContact CB-CG 4.37Å; C129-L131 PolarHBondContact O-N 3.44Å
130	G	94.4	Very high	96	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.031	24%	0.24	C	C	.	.			trans	76.9	-1.4	-177.1	0	0	0	0	0	116.5	C132 Q133 E134 E143	G130-C132 PolarHBondContact O-N 3.23Å; G130-Q133 WeakPolarHBondContact O-CB 2.93Å; G130-Q133 PolarHBondContact O-N 3.47Å; G130-E134 PolarHBondContact O-N 3.25Å; G130-E143 VanDerWaalsContact CA-CD 3.47Å; G130-E143 WeakPolarHBondContact CA-OE1 3.2Å; G130-E143 WeakPolarHBondContact CA-OE2 3.49Å; G130-E143 PolarHBondContact N-OE1 3.25Å; G130-E143 PolarHBondContact N-OE2 2.73Å
131	L	96.8	Very high	96.1	Very high	65 Å²	65	43.3 Å²	43.3	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-30.7	-179.3	-68.6	174.4	0	0	0	113.1	I96 P98 C129 Q133 E134 A135	I96-L131 HydrophobicContact CG1-CB 4.29Å; I96-L131 HydrophobicContact CG2-CB 4.29Å; P98-L131 HydrophobicContact CG-CD1 4.27Å; C129-L131 VanDerWaalsContact C-N 3.27Å; C129-L131 HydrophobicContact CB-CG 4.37Å; C129-L131 PolarHBondContact O-N 3.44Å; L131-Q133 VanDerWaalsContact C-N 3.29Å; L131-Q133 PolarHBondContact O-N 3.01Å; L131-E134 PolarHBondContact O-N 3.03Å; L131-A135 WeakPolarHBondContact O-CB 3.11Å; L131-A135 PolarHBondContact O-N 3.1Å
132	C	96.4	Very high	96	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-31.9	177.1	56	0	0	0	0	112.7	C93 I102 G130 C136 I141	C93-C132 HydrophobicContact CB-CB 4.22Å; I102-C132 HydrophobicContact CD1-CB 4.24Å; G130-C132 PolarHBondContact O-N 3.23Å; C132-C136 PolarHBondContact O-N 2.94Å; C132-I141 HydrophobicContact CB-CG2 4.12Å; C132-I141 WeakPolarHBondContact O-CG2 2.95Å
133	Q	95.2	Very high	96	Very high	25 Å²	25	43 Å²	43	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-73.5	-42.9	177.7	179.2	179.9	-60.4	0	0	111.1	G130 L131 V142	G130-Q133 WeakPolarHBondContact O-CB 2.93Å; G130-Q133 PolarHBondContact O-N 3.47Å; L131-Q133 VanDerWaalsContact C-N 3.29Å; L131-Q133 PolarHBondContact O-N 3.01Å; Q133-V142 HydrophobicContact CG-CG1 4.19Å; Q133-V142 VanDerWaalsContact OE1-CG1 3.27Å
134	E	94.4	Very high	95.9	Very high	149 Å²	149	42.6 Å²	42.6	70%	0.696	23%	0.232	S	C	*	.	H	α-helix	trans	-74.5	-33.9	179.7	-65.3	178	-176.7	0	0	112.6	G130 L131 C136	G130-E134 PolarHBondContact O-N 3.25Å; L131-E134 PolarHBondContact O-N 3.03Å; E134-C136 VanDerWaalsContact C-N 3.27Å; E134-C136 PolarHBondContact O-N 3.43Å
135	A	96	Very high	95.9	Very high	32 Å²	32	40.8 Å²	40.8	26%	0.264	22%	0.219	S	C	.	.	S	Bend	trans	-77.2	-11.7	179.6	0	0	0	0	0	113.7	I96 L131 P137	I96-A135 HydrophobicContact CB-CB 4.28Å; I96-A135 HydrophobicContact CG1-CB 4.39Å; I96-A135 HydrophobicContact CG2-CB 3.76Å; L131-A135 WeakPolarHBondContact O-CB 3.11Å; L131-A135 PolarHBondContact O-N 3.1Å; A135-P137 WeakPolarHBondContact O-CD 3.46Å
136	C	96.4	Very high	95.9	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.068	20%	0.201	C	C	.	.			trans	-79.1	117.4	-175.5	-164.3	0	0	0	0	110.9	C132 E134 V138 A140 I141	C132-C136 PolarHBondContact O-N 2.94Å; E134-C136 VanDerWaalsContact C-N 3.27Å; E134-C136 PolarHBondContact O-N 3.43Å; C136-V138 PolarHBondContact O-N 3.18Å; C136-V138 VanDerWaalsContact O-N 3.1Å; C136-A140 PolarHBondContact SG-N 2.96Å; C136-I141 HydrophobicContact CB-CG2 4.34Å
137	P	95.8	Very high	95.8	Very high	80 Å²	80	39.4 Å²	39.4	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.3	-176.1	29.3	-36.6	0	0	0	114.3	I88 L92 A135	I88-P137 HydrophobicContact CD1-CG 4.47Å; L92-P137 HydrophobicContact CD1-CG 4.16Å; A135-P137 WeakPolarHBondContact O-CD 3.46Å
138	V	95.5	Very high	95.7	Very high	30 Å²	30	38 Å²	38	18%	0.182	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	8.4	-172	-66.7	0	0	0	0	112.6	R86 I88 C136 A140	R86-V138 PolarHBondContact NH1-O 3.19Å; R86-V138 WeakPolarHBondContact O-CG2 3.33Å; I88-V138 HydrophobicContact CD1-CG1 4.09Å; I88-V138 HydrophobicContact CG1-CG2 4.3Å; C136-V138 PolarHBondContact O-N 3.18Å; C136-V138 VanDerWaalsContact O-N 3.1Å; V138-A140 VanDerWaalsContact C-N 3.26Å; V138-A140 HydrophobicContact CG2-CB 3.89Å; V138-A140 PolarHBondContact O-N 2.68Å
139	D	94.6	Very high	95.6	Very high	59 Å²	59	36.6 Å²	36.6	32%	0.316	20%	0.199	S	C	.	.			trans	50.5	43.6	-173.9	-62.4	-46.8	0	0	0	113.1	R86 R186	R86-D139 WeakPolarHBondContact CD-O 3.37Å; D139-R186 IonicContact OD1-NH1 3.89Å
140	A	96.1	Very high	95.5	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	23%	0.225	C	C	.	.			trans	-75.6	-48.4	-179.6	0	0	0	0	0	112.6	L77 R78 R86 C87 C136 V138	L77-A140 WeakPolarHBondContact CA-O 3.33Å; R78-A140 PolarHBondContact N-O 3.4Å; R86-A140 HydrophobicContact CB-CB 3.71Å; C87-A140 HydrophobicContact CB-CB 3.94Å; C136-A140 PolarHBondContact SG-N 2.96Å; V138-A140 VanDerWaalsContact C-N 3.26Å; V138-A140 HydrophobicContact CG2-CB 3.89Å; V138-A140 PolarHBondContact O-N 2.68Å
141	I	96.4	Very high	95.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.7	174.6	-172.9	159.6	0	0	0	109.5	H75 V76 L77 C93 Y119 I121 C132 C136	H75-I141 HydrophobicContact CB-CD1 4.5Å; V76-I141 WeakPolarHBondContact O-CA 3.49Å; L77-I141 HydrophobicContact CD2-CB 4.12Å; C93-I141 HydrophobicContact CB-CG2 4.37Å; C93-I141 VanDerWaalsContact SG-CG2 3.59Å; Y119-I141 HydrophobicContact CE1-CD1 3.88Å; Y119-I141 WeakPolarHBondContact OH-CD1 3.39Å; I121-I141 HydrophobicContact CD1-CD1 3.43Å; I121-I141 VanDerWaalsContact CD1-CD1 3.43Å; C132-I141 HydrophobicContact CB-CG2 4.12Å; C132-I141 WeakPolarHBondContact O-CG2 2.95Å; C136-I141 HydrophobicContact CB-CG2 4.34Å
142	V	96.1	Very high	95.5	Very high	4 Å²	4	48 Å²	48	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.9	-179.4	-174.6	0	0	0	0	108.1	V76 R78 Q133 I175 M179	V76-V142 WeakPolarHBondContact CB-O 3.08Å; V76-V142 PolarHBondContact N-O 3.06Å; V76-V142 PolarHBondContact O-N 3.22Å; R78-V142 HydrophobicContact CG-CG2 4.24Å; Q133-V142 HydrophobicContact CG-CG1 4.19Å; Q133-V142 VanDerWaalsContact OE1-CG1 3.27Å; V142-I175 HydrophobicContact CB-CG2 4.45Å; V142-I175 HydrophobicContact CG1-CG2 4.04Å; V142-M179 HydrophobicContact CB-CE 4.34Å; V142-M179 HydrophobicContact CG1-CE 3.68Å; V142-M179 HydrophobicContact CG1-SD 4.41Å; V142-M179 HydrophobicContact CG2-CE 3.95Å; V142-M179 HydrophobicContact CG2-SD 4.26Å
143	E	96.1	Very high	95.5	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.8	169.2	-72.8	174.9	162	0	0	108.9	R72 H75 G130	R72-E143 HydrophobicContact CB-CB 4.45Å; R72-E143 WeakPolarHBondContact CB-OE2 3.33Å; R72-E143 WeakPolarHBondContact CD-OE2 3.21Å; R72-E143 WeakPolarHBondContact CG-OE2 3.35Å; H75-E143 IonicContact CE1-OE1 2.68Å; H75-E143 IonicContact NE2-OE1 3.95Å; G130-E143 VanDerWaalsContact CA-CD 3.47Å; G130-E143 WeakPolarHBondContact CA-OE1 3.2Å; G130-E143 WeakPolarHBondContact CA-OE2 3.49Å; G130-E143 PolarHBondContact N-OE1 3.25Å; G130-E143 PolarHBondContact N-OE2 2.73Å
144	G	93.4	Very high	95.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	30%	0.303	C	S	.	.			trans	-80.3	174.1	-176.5	0	0	0	0	0	113.2	G73 E74 N146	G73-G144 WeakPolarHBondContact CA-O 3.26Å; G73-G144 PolarHBondContact N-O 2.92Å; E74-G144 WeakPolarHBondContact O-CA 3.15Å; E74-G144 PolarHBondContact O-N 3.37Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.98Å
145	P	95.4	Very high	95.4	Very high	27 Å²	27	58.1 Å²	58.1	18%	0.175	31%	0.306	C	S	.	.	S	Bend	trans	-77.5	-10.7	179.7	32.1	-36	0	0	0	113.5	F147 W171 A174	P145-F147 PolarHBondContact O-N 2.69Å; P145-W171 HydrophobicContact CG-CE3 4.15Å; P145-A174 HydrophobicContact CG-CB 4.14Å
146	N	95.9	Very high	95.3	Very high	22 Å²	22	61.2 Å²	61.2	12%	0.118	31%	0.314	C	S	.	.			trans	-74.5	128.8	-175.4	-170.4	28.4	0	0	0	111.1	G73 E74 G144 E148 W171	G73-N146 CarbonylContact C-O 3.52Å; G73-N146 WeakPolarHBondContact CA-O 3.48Å; E74-N146 HydrophobicContact CB-CB 4.05Å; E74-N146 PolarHBondContact N-O 2.89Å; E74-N146 PolarHBondContact OE2-ND2 2.98Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.98Å; N146-E148 PolarHBondContact OD1-N 2.74Å; N146-W171 HydrophobicContact CB-CZ2 3.8Å
147	F	95.4	Very high	95.2	Very high	81 Å²	81	62.6 Å²	62.6	36%	0.355	32%	0.321	S	S	.	.			trans	-123.5	-5.4	175	59.3	-84.9	0	0	0	112.5	K64 L67 F71 P145 F149	K64-F147 HydrophobicContact CD-CZ 4.39Å; L67-F147 HydrophobicContact CD1-CD1 3.93Å; L67-F147 HydrophobicContact CD1-CE1 3.52Å; L67-F147 HydrophobicContact CD1-CZ 4.47Å; F71-F147 HydrophobicContact CE1-CB 3.81Å; F71-F147 HydrophobicContact CE1-CD1 4.02Å; F71-F147 HydrophobicContact CE1-CG 4.3Å; F71-F147 HydrophobicContact CZ-CB 3.71Å; F71-F147 HydrophobicContact CZ-CD1 4.24Å; F71-F147 HydrophobicContact CZ-CG 4.2Å; P145-F147 PolarHBondContact O-N 2.69Å; F147-F149 PolarHBondContact O-N 3.13Å
148	E	95.5	Very high	95.2	Very high	76 Å²	76	62.3 Å²	62.3	36%	0.355	31%	0.314	S	S	.	.			trans	-102.1	68.7	-175.8	-66.1	168.2	-163.3	0	0	109.6	Y60 K64 N146	Y60-E148 PolarHBondContact OH-OE1 2.88Å; K64-E148 WeakPolarHBondContact CE-OE1 3.48Å; K64-E148 IonicContact NZ-OE1 2.74Å; K64-E148 PolarHBondContact NZ-OE1 3.1Å; K64-E148 IonicContact NZ-OE2 2.88Å; K64-E148 PolarHBondContact NZ-OE2 3.04Å; N146-E148 PolarHBondContact OD1-N 2.74Å
149	F	95	Very high	95.3	Very high	37 Å²	37	61.1 Å²	61.1	16%	0.162	31%	0.307	C	S	.	.			trans	-129.2	31.2	-179.6	60.3	-89.1	0	0	0	112.7	E74 Y128 F147 T151 Y159	E74-F149 HydrophobicContact CB-CD1 3.74Å; E74-F149 HydrophobicContact CB-CE1 3.68Å; E74-F149 HydrophobicContact CB-CG 4.41Å; E74-F149 HydrophobicContact CB-CZ 4.31Å; E74-F149 HydrophobicContact CG-CD1 4.04Å; E74-F149 HydrophobicContact CG-CE1 4.21Å; E74-F149 HydrophobicContact CG-CG 4.21Å; Y128-F149 AromaticContact CE1-CZ 3.97Å; Y128-F149 HydrophobicContact CE1-CZ 3.97Å; Y128-F149 AromaticContact CZ-CZ 3.94Å; Y128-F149 WeakPolarHBondContact OH-CE2 3.36Å; Y128-F149 WeakPolarHBondContact OH-CZ 3.46Å; F147-F149 PolarHBondContact O-N 3.13Å; F149-T151 PolarHBondContact O-N 3.31Å; F149-Y159 WeakPolarHBondContact CD2-OH 3.46Å
150	S	94.7	Very high	95.3	Very high	123 Å²	123	62.4 Å²	62.4	86%	0.86	31%	0.314	S	S	*	.			trans	-58.6	132.6	171	-56.2	0	0	0	0	110.4
151	T	94.9	Very high	95.3	Very high	43 Å²	43	63.7 Å²	63.7	26%	0.264	32%	0.319	S	S	.	.			trans	-116.6	159.7	-178.6	55.9	0	0	0	0	110.7	F149 T153 E156 L157	F149-T151 PolarHBondContact O-N 3.31Å; T151-T153 PolarHBondContact OG1-O 3.26Å; T151-E156 WeakPolarHBondContact CB-OE2 3.25Å; T151-E156 HydrophobicContact CG2-CB 3.62Å; T151-E156 WeakPolarHBondContact CG2-OE2 3.45Å; T151-L157 HydrophobicContact CG2-CD2 4.23Å; T151-L157 VanDerWaalsContact OG1-CG 3.28Å; T151-L157 WeakPolarHBondContact OG1-CG 3.2Å
152	E	96.4	Very high	95.3	Very high	187 Å²	187	70.9 Å²	70.9	87%	0.874	35%	0.352	S	S	*	.	S	Bend	trans	-81.6	-29.8	179.5	-59.8	-58.9	152.8	0	0	111.8
153	T	96.4	Very high	95.2	Very high	68 Å²	68	74.5 Å²	74.5	42%	0.417	37%	0.368	S	S	.	.	S	Bend	trans	-115.7	155.8	-179.9	71	0	0	0	0	112.2	T151 E156	T151-T153 PolarHBondContact OG1-O 3.26Å; T153-E156 VanDerWaalsContact OG1-CD 3.23Å; T153-E156 VanDerWaalsContact OG1-CG 3.25Å; T153-E156 WeakPolarHBondContact OG1-CG 3.23Å; T153-E156 PolarHBondContact OG1-OE1 3.36Å
154	R	93.8	Very high	95.2	Very high	169 Å²	169	74.1 Å²	74.1	64%	0.638	37%	0.366	S	S	*	.	S	Bend	trans	-70.3	-34	175.6	179.6	177.3	173.9	172.1	-0.9	112.4	E156 L157	R154-E156 PolarHBondContact O-N 3.14Å; R154-L157 WeakPolarHBondContact O-CB 3.21Å; R154-L157 PolarHBondContact O-N 3.27Å
155	E	94.1	Very high	95.3	Very high	159 Å²	159	75 Å²	75	74%	0.743	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-63.7	-34.1	-177.3	-65	175.7	-176.8	0	0	111.3	L157 I158	E155-L157 PolarHBondContact O-N 3.28Å; E155-I158 PolarHBondContact O-N 3.13Å; E155-I158 VanDerWaalsContact O-N 3.1Å
156	E	93.8	Very high	95.3	Very high	96 Å²	96	78.7 Å²	78.7	45%	0.449	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-62.4	-23.9	174.8	-72.2	164.2	-128.7	0	0	113.4	T151 T153 R154 I158 Y159	T151-E156 WeakPolarHBondContact CB-OE2 3.25Å; T151-E156 HydrophobicContact CG2-CB 3.62Å; T151-E156 WeakPolarHBondContact CG2-OE2 3.45Å; T153-E156 VanDerWaalsContact OG1-CD 3.23Å; T153-E156 VanDerWaalsContact OG1-CG 3.25Å; T153-E156 WeakPolarHBondContact OG1-CG 3.23Å; T153-E156 PolarHBondContact OG1-OE1 3.36Å; R154-E156 PolarHBondContact O-N 3.14Å; E156-I158 VanDerWaalsContact C-N 3.33Å; E156-Y159 WeakPolarHBondContact O-CD1 3.25Å; E156-Y159 WeakPolarHBondContact O-CE1 3.42Å
157	L	94.8	Very high	95.3	Very high	39 Å²	39	77.7 Å²	77.7	20%	0.204	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-84.9	-3.8	177.6	-67.2	174	0	0	0	113.6	M123 T151 R154 E155 Y159	M123-L157 HydrophobicContact CB-CB 4.21Å; M123-L157 HydrophobicContact CB-CD2 4.36Å; M123-L157 VanDerWaalsContact CB-O 3.25Å; M123-L157 WeakPolarHBondContact CB-O 3.36Å; M123-L157 WeakPolarHBondContact CG-O 3.49Å; M123-L157 PolarHBondContact N-O 3.03Å; T151-L157 HydrophobicContact CG2-CD2 4.23Å; T151-L157 VanDerWaalsContact OG1-CG 3.28Å; T151-L157 WeakPolarHBondContact OG1-CG 3.2Å; R154-L157 WeakPolarHBondContact O-CB 3.21Å; R154-L157 PolarHBondContact O-N 3.27Å; E155-L157 PolarHBondContact O-N 3.28Å; L157-Y159 PolarHBondContact O-N 3.42Å
158	I	95.8	Very high	95.3	Very high	75 Å²	75	73.9 Å²	73.9	39%	0.385	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	98.8	172.5	-56.9	174.9	0	0	0	106.8	E155 E156	E155-I158 PolarHBondContact O-N 3.13Å; E155-I158 VanDerWaalsContact O-N 3.1Å; E156-I158 VanDerWaalsContact C-N 3.33Å
159	Y	96.7	Very high	95.2	Very high	5 Å²	5	74.7 Å²	74.7	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.1	-173.2	-72.3	10.3	0	0	0	110.6	E74 D120 I121 M123 F149 E156 L157 K163 L164	E74-Y159 HydrophobicContact CG-CE2 3.93Å; E74-Y159 WeakPolarHBondContact OE1-CE2 3.14Å; E74-Y159 PolarHBondContact OE1-OH 3.15Å; D120-Y159 CarbonylContact C-O 3.51Å; D120-Y159 WeakPolarHBondContact CA-O 3.28Å; I121-Y159 PolarHBondContact N-O 3.33Å; I121-Y159 PolarHBondContact O-N 2.98Å; M123-Y159 HydrophobicContact CE-CD2 3.17Å; M123-Y159 HydrophobicContact CE-CE2 3.6Å; M123-Y159 HydrophobicContact CE-CG 3.78Å; M123-Y159 HydrophobicContact CG-CD1 4.17Å; M123-Y159 HydrophobicContact CG-CD2 4.1Å; M123-Y159 HydrophobicContact CG-CE1 4.12Å; M123-Y159 HydrophobicContact CG-CE2 4.05Å; M123-Y159 HydrophobicContact CG-CG 4.14Å; M123-Y159 HydrophobicContact SD-CD2 4.45Å; F149-Y159 WeakPolarHBondContact CD2-OH 3.46Å; E156-Y159 WeakPolarHBondContact O-CD1 3.25Å; E156-Y159 WeakPolarHBondContact O-CE1 3.42Å; L157-Y159 PolarHBondContact O-N 3.42Å; Y159-K163 HydrophobicContact CD1-CG 4.2Å; Y159-K163 HydrophobicContact CD2-CG 4.13Å; Y159-K163 HydrophobicContact CG-CG 3.98Å; Y159-L164 HydrophobicContact CD2-CD2 3.91Å
160	N	95.7	Very high	95.2	Very high	86 Å²	86	80.7 Å²	80.7	46%	0.46	40%	0.395	S	S	.	.			trans	-88.4	168.3	169.2	-60.6	-21.1	0	0	0	110.9	Y119 E162 K163 L164	Y119-N160 CarbonylContact O-C 3.59Å; N160-E162 PolarHBondContact O-N 3.16Å; N160-K163 WeakPolarHBondContact O-CB 3.48Å; N160-K163 PolarHBondContact O-N 3.43Å; N160-K163 VanDerWaalsContact O-N 3.09Å; N160-L164 PolarHBondContact O-N 2.8Å
161	K	95.4	Very high	95.2	Very high	30 Å²	30	78.5 Å²	78.5	13%	0.13	37%	0.367	C	S	.	.	H	α-helix	trans	-50.6	-44.1	177.1	-174.1	-178.2	177.4	-178	0	112.7	L77 E85 T116 Y119 K163 L164 L165	L77-K161 HydrophobicContact CD1-CG 4.13Å; E85-K161 VanDerWaalsContact CD-NZ 3.27Å; E85-K161 IonicContact OE1-NZ 3.86Å; E85-K161 PolarHBondContact OE1-NZ 3.08Å; E85-K161 WeakPolarHBondContact OE2-CE 3.29Å; E85-K161 IonicContact OE2-NZ 3.35Å; E85-K161 PolarHBondContact OE2-NZ 3.29Å; T116-K161 PolarHBondContact O-NZ 2.87Å; T116-K161 VanDerWaalsContact OG1-CE 3.23Å; T116-K161 WeakPolarHBondContact OG1-CE 3.39Å; T116-K161 PolarHBondContact OG1-NZ 3.43Å; T116-K161 VanDerWaalsContact OG1-NZ 3.12Å; Y119-K161 VanDerWaalsContact O-CA 3.31Å; Y119-K161 WeakPolarHBondContact O-CA 3.36Å; Y119-K161 PolarHBondContact O-N 3.46Å; K161-K163 PolarHBondContact O-N 3.19Å; K161-L164 PolarHBondContact O-N 2.93Å; K161-L165 HydrophobicContact CG-CD1 4.11Å; K161-L165 WeakPolarHBondContact O-CG 3.34Å; K161-L165 PolarHBondContact O-N 3.18Å
162	E	95.2	Very high	95.2	Very high	151 Å²	151	79 Å²	79	71%	0.706	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-43.1	-178.4	-62.2	-178.7	175.6	0	0	112	N160 L164 L165 L166	N160-E162 PolarHBondContact O-N 3.16Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 3.32Å; E162-L165 PolarHBondContact O-N 2.86Å; E162-L166 VanDerWaalsContact O-CG 3.31Å; E162-L166 WeakPolarHBondContact O-CG 3.43Å; E162-L166 PolarHBondContact O-N 2.98Å
163	K	95.7	Very high	95.1	Very high	81 Å²	81	76.2 Å²	76.2	35%	0.352	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-43.6	177.6	179.9	63.7	178.4	-172.4	0	111.2	Y159 N160 K161 L165 L166 N167	Y159-K163 HydrophobicContact CD1-CG 4.2Å; Y159-K163 HydrophobicContact CD2-CG 4.13Å; Y159-K163 HydrophobicContact CG-CG 3.98Å; N160-K163 WeakPolarHBondContact O-CB 3.48Å; N160-K163 PolarHBondContact O-N 3.43Å; N160-K163 VanDerWaalsContact O-N 3.09Å; K161-K163 PolarHBondContact O-N 3.19Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.42Å; K163-L166 PolarHBondContact O-N 3.32Å; K163-N167 VanDerWaalsContact O-CG 3.27Å; K163-N167 PolarHBondContact O-N 3.04Å; K163-N167 PolarHBondContact O-OD1 2.93Å
164	L	95.6	Very high	95	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-36.5	177.9	-69.1	167.4	0	0	0	112.6	H75 L77 Y119 I121 M123 Y159 N160 K161 E162 G168	H75-L164 HydrophobicContact CB-CD2 3.82Å; H75-L164 WeakPolarHBondContact O-CD2 3.47Å; L77-L164 HydrophobicContact CB-CB 4.14Å; L77-L164 HydrophobicContact CD1-CB 3.82Å; L77-L164 HydrophobicContact CD1-CD1 4.22Å; L77-L164 HydrophobicContact CG-CB 3.88Å; L77-L164 HydrophobicContact CG-CD1 4.49Å; L77-L164 PolarHBondContact N-O 3.47Å; Y119-L164 HydrophobicContact CD1-CD1 3.54Å; Y119-L164 HydrophobicContact CE1-CD1 3.81Å; I121-L164 HydrophobicContact CD1-CD1 4.02Å; I121-L164 HydrophobicContact CD1-CD2 4.45Å; I121-L164 HydrophobicContact CG1-CD1 4.05Å; M123-L164 HydrophobicContact CE-CD2 4.2Å; Y159-L164 HydrophobicContact CD2-CD2 3.91Å; N160-L164 PolarHBondContact O-N 2.8Å; K161-L164 PolarHBondContact O-N 2.93Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 3.32Å; L164-G168 PolarHBondContact O-N 2.96Å; L164-G168 VanDerWaalsContact O-N 3.14Å
165	L	95.5	Very high	95.1	Very high	20 Å²	20	66.7 Å²	66.7	11%	0.105	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-42.2	174.1	-73.7	170.8	0	0	0	111.9	L77 K161 E162 K163 N167 G168 D169	L77-L165 HydrophobicContact CB-CD2 3.76Å; L77-L165 HydrophobicContact CB-CG 4.2Å; L77-L165 HydrophobicContact CD1-CG 4.38Å; K161-L165 HydrophobicContact CG-CD1 4.11Å; K161-L165 WeakPolarHBondContact O-CG 3.34Å; K161-L165 PolarHBondContact O-N 3.18Å; E162-L165 PolarHBondContact O-N 2.86Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-L165 PolarHBondContact O-N 3.42Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.24Å; L165-G168 CarbonylContact O-C 3.52Å; L165-G168 VanDerWaalsContact O-CA 3.3Å; L165-G168 WeakPolarHBondContact O-CA 3.38Å; L165-G168 PolarHBondContact O-N 3.49Å; L165-D169 PolarHBondContact O-N 3.2Å
166	L	95.6	Very high	95.1	Very high	105 Å²	105	61 Å²	61	55%	0.55	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-38.3	175.4	-73.6	170	0	0	0	112.1	E162 K163 G168 D169 R170	E162-L166 VanDerWaalsContact O-CG 3.31Å; E162-L166 WeakPolarHBondContact O-CG 3.43Å; E162-L166 PolarHBondContact O-N 2.98Å; K163-L166 PolarHBondContact O-N 3.32Å; L166-G168 VanDerWaalsContact C-N 3.26Å; L166-G168 PolarHBondContact O-N 3.39Å; L166-D169 PolarHBondContact O-N 3.29Å; L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 PolarHBondContact O-N 2.73Å; L166-R170 VanDerWaalsContact O-N 3.09Å
167	N	95.7	Very high	95.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-36.7	172.4	-70.6	-8.5	0	0	0	111	E74 V76 K163 L165 R170 W171	E74-N167 PolarHBondContact OE1-ND2 3.28Å; V76-N167 HydrophobicContact CG1-CB 4.05Å; K163-N167 VanDerWaalsContact O-CG 3.27Å; K163-N167 PolarHBondContact O-N 3.04Å; K163-N167 PolarHBondContact O-OD1 2.93Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.24Å; N167-R170 PolarHBondContact O-N 3.49Å; N167-W171 WeakPolarHBondContact O-CB 3.5Å; N167-W171 PolarHBondContact O-N 3.15Å
168	G	94.5	Very high	95.2	Very high	2 Å²	2	59.6 Å²	59.6	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-55.9	174.1	0	0	0	0	0	111.6	L77 L164 L165 L166 R170 W171 E172	L77-G168 WeakPolarHBondContact O-CA 3.37Å; L164-G168 PolarHBondContact O-N 2.96Å; L164-G168 VanDerWaalsContact O-N 3.14Å; L165-G168 CarbonylContact O-C 3.52Å; L165-G168 VanDerWaalsContact O-CA 3.3Å; L165-G168 WeakPolarHBondContact O-CA 3.38Å; L165-G168 PolarHBondContact O-N 3.49Å; L166-G168 VanDerWaalsContact C-N 3.26Å; L166-G168 PolarHBondContact O-N 3.39Å; G168-R170 PolarHBondContact O-N 3.33Å; G168-W171 PolarHBondContact O-N 3.01Å; G168-W171 VanDerWaalsContact O-N 3.16Å; G168-E172 WeakPolarHBondContact O-CA 3.47Å; G168-E172 VanDerWaalsContact O-CB 3.26Å; G168-E172 WeakPolarHBondContact O-CB 3.48Å; G168-E172 PolarHBondContact O-N 2.9Å
169	D	94.6	Very high	95	Very high	92 Å²	92	57 Å²	57	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-32.7	-178.4	-59.3	-29.4	0	0	0	111.6	R79 L165 L166	R79-D169 WeakPolarHBondContact CD-OD1 3.3Å; R79-D169 IonicContact NE-OD1 2.98Å; R79-D169 PolarHBondContact NE-OD1 2.79Å; R79-D169 VanDerWaalsContact NE-OD1 3.11Å; R79-D169 IonicContact NE-OD2 2.68Å; L165-D169 PolarHBondContact O-N 3.2Å; L166-D169 PolarHBondContact O-N 3.29Å
170	R	94.8	Very high	94.9	Very high	164 Å²	164	63 Å²	63	62%	0.619	33%	0.325	S	S	*	.	H	α-helix	trans	-72.4	-42.9	176.3	-172.5	-177.7	-60.7	173.3	0.4	113.6	L166 N167 G168	L166-R170 WeakPolarHBondContact O-CB 3.41Å; L166-R170 PolarHBondContact O-N 2.73Å; L166-R170 VanDerWaalsContact O-N 3.09Å; N167-R170 PolarHBondContact O-N 3.49Å; G168-R170 PolarHBondContact O-N 3.33Å
171	W	95.2	Very high	94.8	Very high	76 Å²	76	61.7 Å²	61.7	29%	0.288	33%	0.326	S	S	.	.	H	α-helix	trans	-107.5	-0.2	-167.8	-67.4	112.8	0	0	0	114.5	P145 N146 N167 G168 V173 A174 I175	P145-W171 HydrophobicContact CG-CE3 4.15Å; N146-W171 HydrophobicContact CB-CZ2 3.8Å; N167-W171 WeakPolarHBondContact O-CB 3.5Å; N167-W171 PolarHBondContact O-N 3.15Å; G168-W171 PolarHBondContact O-N 3.01Å; G168-W171 VanDerWaalsContact O-N 3.16Å; W171-V173 PolarHBondContact O-N 2.81Å; W171-V173 VanDerWaalsContact O-N 3.11Å; W171-A174 HydrophobicContact CE3-CB 4.31Å; W171-A174 PolarHBondContact O-N 3.21Å; W171-I175 HydrophobicContact CB-CD1 3.55Å; W171-I175 HydrophobicContact CB-CG1 4.04Å; W171-I175 WeakPolarHBondContact O-CB 3.31Å; W171-I175 VanDerWaalsContact O-CG1 3.29Å; W171-I175 WeakPolarHBondContact O-CG1 3.48Å; W171-I175 PolarHBondContact O-N 2.81Å
172	E	94.2	Very high	94.7	Very high	53 Å²	53	61 Å²	61	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-51.7	-40.9	-173.8	-178.3	56.4	-154	0	0	113.2	R78 G168 I175 A176	R78-E172 WeakPolarHBondContact CG-OE2 3.34Å; R78-E172 IonicContact CZ-OE1 2.68Å; R78-E172 IonicContact CZ-OE2 2.74Å; R78-E172 IonicContact NE-OE1 3.64Å; R78-E172 PolarHBondContact NE-OE1 2.83Å; R78-E172 IonicContact NE-OE2 3.11Å; R78-E172 PolarHBondContact NE-OE2 2.85Å; R78-E172 IonicContact NH2-OE1 3.94Å; R78-E172 PolarHBondContact NH2-OE1 2.96Å; R78-E172 IonicContact NH2-OE2 3.99Å; G168-E172 WeakPolarHBondContact O-CA 3.47Å; G168-E172 VanDerWaalsContact O-CB 3.26Å; G168-E172 WeakPolarHBondContact O-CB 3.48Å; G168-E172 PolarHBondContact O-N 2.9Å; E172-I175 PolarHBondContact O-N 3.16Å; E172-A176 WeakPolarHBondContact O-CB 3.35Å; E172-A176 PolarHBondContact O-N 3.44Å
173	V	94.3	Very high	94.4	Very high	129 Å²	129	59.7 Å²	59.7	78%	0.782	31%	0.314	S	S	*	.	H	α-helix	trans	-62.6	-47.1	179.8	-179	0	0	0	0	111.5	W171 A177	W171-V173 PolarHBondContact O-N 2.81Å; W171-V173 VanDerWaalsContact O-N 3.11Å; V173-A177 WeakPolarHBondContact O-CB 3.33Å; V173-A177 PolarHBondContact O-N 3.44Å; V173-A177 VanDerWaalsContact O-N 3.14Å
174	A	94.9	Very high	94.3	Very high	35 Å²	35	61.9 Å²	61.9	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-69.6	-40.4	180	0	0	0	0	0	111.3	P145 W171 A177 N178	P145-A174 HydrophobicContact CG-CB 4.14Å; W171-A174 HydrophobicContact CE3-CB 4.31Å; W171-A174 PolarHBondContact O-N 3.21Å; A174-A177 PolarHBondContact O-N 3.06Å; A174-N178 PolarHBondContact O-N 3.12Å
175	I	94.8	Very high	94.1	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.015	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-44.2	179.6	-70.2	171.4	0	0	0	111	V76 R78 V142 W171 E172 A177 N178 M179	V76-I175 HydrophobicContact CB-CD1 3.92Å; V76-I175 HydrophobicContact CG1-CD1 3.74Å; V76-I175 HydrophobicContact CG2-CD1 3.7Å; R78-I175 HydrophobicContact CG-CG2 4.45Å; V142-I175 HydrophobicContact CB-CG2 4.45Å; V142-I175 HydrophobicContact CG1-CG2 4.04Å; W171-I175 HydrophobicContact CB-CD1 3.55Å; W171-I175 HydrophobicContact CB-CG1 4.04Å; W171-I175 WeakPolarHBondContact O-CB 3.31Å; W171-I175 VanDerWaalsContact O-CG1 3.29Å; W171-I175 WeakPolarHBondContact O-CG1 3.48Å; W171-I175 PolarHBondContact O-N 2.81Å; E172-I175 PolarHBondContact O-N 3.16Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 2.94Å; I175-N178 PolarHBondContact O-N 3.02Å; I175-M179 HydrophobicContact CB-CE 4.38Å; I175-M179 HydrophobicContact CG2-CE 3.08Å; I175-M179 WeakPolarHBondContact O-CE 3.38Å; I175-M179 PolarHBondContact O-N 3.38Å
176	A	94.7	Very high	93.4	Very high	38 Å²	38	76.3 Å²	76.3	31%	0.314	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-41.2	175.3	0	0	0	0	0	111.7	E172 M179 Q180	E172-A176 WeakPolarHBondContact O-CB 3.35Å; E172-A176 PolarHBondContact O-N 3.44Å; A176-M179 PolarHBondContact O-N 3.38Å; A176-Q180 WeakPolarHBondContact O-CB 3.04Å; A176-Q180 PolarHBondContact O-N 3.27Å
177	A	95.4	Very high	93.3	Very high	59 Å²	59	74.9 Å²	74.9	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.5	0	0	0	0	0	112.4	V173 A174 I175 Q180 A181	V173-A177 WeakPolarHBondContact O-CB 3.33Å; V173-A177 PolarHBondContact O-N 3.44Å; V173-A177 VanDerWaalsContact O-N 3.14Å; A174-A177 PolarHBondContact O-N 3.06Å; I175-A177 VanDerWaalsContact C-N 3.34Å; I175-A177 PolarHBondContact O-N 2.94Å; A177-Q180 PolarHBondContact O-N 3.36Å; A177-A181 PolarHBondContact O-N 2.83Å; A177-A181 VanDerWaalsContact O-N 3.09Å
178	N	95.1	Very high	93.1	Very high	48 Å²	48	78.8 Å²	78.8	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-43	176.9	-73.8	-14.1	0	0	0	112	P69 A174 I175 Q180 A181 D182	P69-N178 HydrophobicContact CB-CB 4.45Å; A174-N178 PolarHBondContact O-N 3.12Å; I175-N178 PolarHBondContact O-N 3.02Å; N178-Q180 VanDerWaalsContact C-N 3.35Å; N178-A181 WeakPolarHBondContact O-CB 3.34Å; N178-A181 PolarHBondContact O-N 3.38Å; N178-A181 VanDerWaalsContact O-N 3.15Å; N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.03Å; N178-D182 VanDerWaalsContact O-N 3.1Å
179	M	92	Very high	93.1	Very high	20 Å²	20	83.1 Å²	83.1	10%	0.099	42%	0.415	C	S	.	.	H	α-helix	trans	-64.8	-38.8	175.1	-99.1	172.9	-76.5	0	0	112.5	R78 V142 I175 A176 A181 D182 Y183	R78-M179 PolarHBondContact NH1-SD 2.82Å; V142-M179 HydrophobicContact CB-CE 4.34Å; V142-M179 HydrophobicContact CG1-CE 3.68Å; V142-M179 HydrophobicContact CG1-SD 4.41Å; V142-M179 HydrophobicContact CG2-CE 3.95Å; V142-M179 HydrophobicContact CG2-SD 4.26Å; I175-M179 HydrophobicContact CB-CE 4.38Å; I175-M179 HydrophobicContact CG2-CE 3.08Å; I175-M179 WeakPolarHBondContact O-CE 3.38Å; I175-M179 PolarHBondContact O-N 3.38Å; A176-M179 PolarHBondContact O-N 3.38Å; M179-A181 PolarHBondContact O-N 3.4Å; M179-D182 PolarHBondContact O-N 3.22Å; M179-D182 VanDerWaalsContact O-N 3.09Å; M179-Y183 WeakPolarHBondContact O-CB 3.44Å; M179-Y183 PolarHBondContact O-N 3.5Å
180	Q	93.8	Very high	93	Very high	130 Å²	130	82.5 Å²	82.5	61%	0.607	41%	0.41	S	S	*	.	H	α-helix	trans	-64.3	-24.8	174.7	-171.6	60.9	22.8	0	0	112.7	A176 A177 N178 Y183	A176-Q180 WeakPolarHBondContact O-CB 3.04Å; A176-Q180 PolarHBondContact O-N 3.27Å; A177-Q180 PolarHBondContact O-N 3.36Å; N178-Q180 VanDerWaalsContact C-N 3.35Å; Q180-Y183 WeakPolarHBondContact O-CD1 3.15Å; Q180-Y183 WeakPolarHBondContact O-CE1 3.3Å
181	A	94.5	Very high	92.9	Very high	60 Å²	60	77.4 Å²	77.4	50%	0.496	40%	0.397	S	S	.	.	H	α-helix	trans	-80.9	-28.6	173	0	0	0	0	0	113	P69 A177 N178 M179	P69-A181 HydrophobicContact CB-CB 4.17Å; P69-A181 HydrophobicContact CG-CB 4.29Å; A177-A181 PolarHBondContact O-N 2.83Å; A177-A181 VanDerWaalsContact O-N 3.09Å; N178-A181 WeakPolarHBondContact O-CB 3.34Å; N178-A181 PolarHBondContact O-N 3.38Å; N178-A181 VanDerWaalsContact O-N 3.15Å; M179-A181 PolarHBondContact O-N 3.4Å
182	D	92.8	Very high	92.7	Very high	14 Å²	14	77.5 Å²	77.5	8%	0.075	40%	0.404	C	S	.	.	H	α-helix	trans	-103	-19.7	-170	-173.7	48.9	0	0	0	115.1	R70 N178 M179 L184 Y185 R186	R70-D182 IonicContact CZ-OD1 3.08Å; R70-D182 IonicContact NE-OD1 2.73Å; R70-D182 PolarHBondContact NE-OD1 2.84Å; R70-D182 IonicContact NH2-OD1 3.31Å; R70-D182 PolarHBondContact NH2-OD1 3.4Å; N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.03Å; N178-D182 VanDerWaalsContact O-N 3.1Å; M179-D182 PolarHBondContact O-N 3.22Å; M179-D182 VanDerWaalsContact O-N 3.09Å; D182-L184 PolarHBondContact O-N 3.03Å; D182-Y185 PolarHBondContact O-N 3.42Å; D182-R186 IonicContact OD2-CZ 3.81Å; D182-R186 IonicContact OD2-NE 3.32Å; D182-R186 PolarHBondContact OD2-NE 3.18Å; D182-R186 IonicContact OD2-NH2 2.9Å; D182-R186 PolarHBondContact OD2-NH2 2.75Å
183	Y	88.8	Confident	92.6	Very high	125 Å²	125	79.3 Å²	79.3	49%	0.49	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24	-167.1	76.1	-79.3	0	0	0	116.2	M179 Q180 Y185	M179-Y183 WeakPolarHBondContact O-CB 3.44Å; M179-Y183 PolarHBondContact O-N 3.5Å; Q180-Y183 WeakPolarHBondContact O-CD1 3.15Å; Q180-Y183 WeakPolarHBondContact O-CE1 3.3Å; Y183-Y185 VanDerWaalsContact C-N 3.29Å; Y183-Y185 PolarHBondContact O-N 3.03Å
184	L	93.3	Very high	92.5	Very high	126 Å²	126	75.5 Å²	75.5	66%	0.66	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.2	178.7	-68.8	171.8	0	0	0	114	D182	D182-L184 PolarHBondContact O-N 3.03Å
185	Y	91.9	Very high	92.3	Very high	176 Å²	176	78.8 Å²	78.8	69%	0.69	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-104	1	-176	-61.3	-87.1	0	0	0	113.1	R70 D182 Y183	R70-Y185 VanDerWaalsContact NH2-CB 3.31Å; D182-Y185 PolarHBondContact O-N 3.42Å; Y183-Y185 VanDerWaalsContact C-N 3.29Å; Y183-Y185 PolarHBondContact O-N 3.03Å
186	R	80.4	Confident	92	Very high	147 Å²	147	85.7 Å²	85.7	56%	0.555	43%	0.43	S	S	*	.			trans	-95.4	0	172.2	-63.9	-174.5	-173.3	-173.8	2.1	109.6	D139 D182	D139-R186 IonicContact OD1-NH1 3.89Å; D182-R186 IonicContact OD2-CZ 3.81Å; D182-R186 IonicContact OD2-NE 3.32Å; D182-R186 PolarHBondContact OD2-NE 3.18Å; D182-R186 IonicContact OD2-NH2 2.9Å; D182-R186 PolarHBondContact OD2-NH2 2.75Å

Retrieved 186 of 186 residues in 47.6 ms (Link to these results)

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