A0A5K4F928_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F928, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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	37.5	Very low	45.9	Very low	242 Å²	242	145.8 Å²	145.8	100%	1.192	73%	0.729	S	S	*	*				0	104.4	0	-163	165.1	163.1	0	0	106.5	Q3	M1-Q3 PolarHBondContact O-N 3.22Å
2	L	39.5	Very low	46.2	Very low	164 Å²	164	141.1 Å²	141.1	86%	0.859	71%	0.714	S	S	*	*			trans	-69.3	108	-166.4	-77.9	149	0	0	0	111.1	I4	L2-I4 HydrophobicContact CB-CG1 4.41Å; L2-I4 PolarHBondContact O-N 2.65Å
3	Q	44	Very low	46.5	Very low	193 Å²	193	134.8 Å²	134.8	90%	0.902	69%	0.691	S	S	*	*			trans	-86.1	94.8	165.5	-72.7	-173	-32	0	0	108.4	M1 D5	M1-Q3 PolarHBondContact O-N 3.22Å; Q3-D5 PolarHBondContact O-N 3.49Å
4	I	50.1	Low	46.5	Very low	149 Å²	149	133.7 Å²	133.7	76%	0.764	68%	0.681	S	S	*	*			trans	-85.7	90.9	173.2	-59.5	177	0	0	0	108.1	L2 S6	L2-I4 HydrophobicContact CB-CG1 4.41Å; L2-I4 PolarHBondContact O-N 2.65Å; I4-S6 PolarHBondContact O-N 3.15Å
5	D	47.3	Very low	46.5	Very low	100 Å²	100	135.1 Å²	135.1	54%	0.535	68%	0.681	S	S	.	*			trans	12.5	83.8	149.9	-144.5	-10.3	0	0	0	119.3	Q3 T7	Q3-D5 PolarHBondContact O-N 3.49Å; D5-T7 PolarHBondContact O-N 3.31Å; D5-T7 VanDerWaalsContact O-N 3.15Å; D5-T7 VanDerWaalsContact OD1-CB 3.3Å; D5-T7 WeakPolarHBondContact OD1-CB 3.3Å; D5-T7 PolarHBondContact OD1-N 3.24Å; D5-T7 PolarHBondContact OD1-OG1 2.85Å
6	S	53.9	Low	46.4	Very low	92 Å²	92	139 Å²	139	64%	0.643	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-5.3	170.5	81	0	0	0	0	114.3	I4	I4-S6 PolarHBondContact O-N 3.15Å
7	T	51.1	Low	46.7	Very low	94 Å²	94	137.1 Å²	137.1	58%	0.577	68%	0.678	S	S	*	*	H	α-helix	trans	-80.8	-20.3	-176.5	-16.4	0	0	0	0	112.5	D5 T11	D5-T7 PolarHBondContact O-N 3.31Å; D5-T7 VanDerWaalsContact O-N 3.15Å; D5-T7 VanDerWaalsContact OD1-CB 3.3Å; D5-T7 WeakPolarHBondContact OD1-CB 3.3Å; D5-T7 PolarHBondContact OD1-N 3.24Å; D5-T7 PolarHBondContact OD1-OG1 2.85Å; T7-T11 PolarHBondContact O-OG1 3.4Å
8	R	42.4	Very low	46.5	Very low	195 Å²	195	135.3 Å²	135.3	74%	0.736	67%	0.671	S	S	*	*	H	α-helix	trans	-82.6	-21	-177.4	-153.6	174.1	-170.4	-178.7	3	114	T11 T12	R8-T11 PolarHBondContact O-OG1 3.24Å; R8-T12 PolarHBondContact O-OG1 3.46Å
9	E	44.3	Very low	46.7	Very low	151 Å²	151	134.3 Å²	134.3	71%	0.706	67%	0.668	S	S	*	*	H	α-helix	trans	-85.3	-27	177.7	-72.2	-174.7	155.7	0	0	113.4	T12 S13	E9-T12 PolarHBondContact O-OG1 2.91Å; E9-S13 PolarHBondContact O-N 3.34Å; E9-S13 PolarHBondContact O-OG 2.9Å
10	K	44	Very low	47.2	Very low	150 Å²	150	131.5 Å²	131.5	65%	0.652	66%	0.662	S	S	*	*	H	α-helix	trans	-69.4	-37.5	174.2	-74.5	-175	177.7	-179.8	0	112.2	T12 S13 E14	K10-T12 PolarHBondContact O-N 3.01Å; K10-S13 PolarHBondContact O-OG 2.66Å; K10-E14 PolarHBondContact O-N 3.33Å; K10-E14 VanDerWaalsContact O-N 3.14Å
11	T	51	Low	47.2	Very low	74 Å²	74	133 Å²	133	45%	0.454	66%	0.661	S	S	.	*	H	α-helix	trans	-73.5	-25.7	-178.8	32	0	0	0	0	113.9	T7 R8 K15	T7-T11 PolarHBondContact O-OG1 3.4Å; R8-T11 PolarHBondContact O-OG1 3.24Å; T11-K15 WeakPolarHBondContact O-CB 3.38Å; T11-K15 VanDerWaalsContact O-CG 3.29Å; T11-K15 WeakPolarHBondContact O-CG 3.27Å; T11-K15 PolarHBondContact O-N 2.83Å
12	T	49.2	Very low	47.8	Very low	89 Å²	89	125 Å²	125	55%	0.546	63%	0.626	S	S	.	*	H	α-helix	trans	-79.6	-35.7	174.7	33.8	0	0	0	0	112.9	R8 E9 K10 R16	R8-T12 PolarHBondContact O-OG1 3.46Å; E9-T12 PolarHBondContact O-OG1 2.91Å; K10-T12 PolarHBondContact O-N 3.01Å; T12-R16 WeakPolarHBondContact O-CB 3.3Å; T12-R16 PolarHBondContact O-N 3.2Å
13	S	50.1	Low	48.9	Very low	59 Å²	59	121.1 Å²	121.1	41%	0.413	60%	0.603	S	S	.	*	H	α-helix	trans	-69.7	-42.9	174.9	56.2	0	0	0	0	112.3	E9 K10 R16 N17	E9-S13 PolarHBondContact O-N 3.34Å; E9-S13 PolarHBondContact O-OG 2.9Å; K10-S13 PolarHBondContact O-OG 2.66Å; S13-R16 PolarHBondContact O-N 3.16Å; S13-N17 WeakPolarHBondContact O-CB 3.27Å; S13-N17 PolarHBondContact O-N 3.4Å; S13-N17 PolarHBondContact O-ND2 3.14Å
14	E	47.1	Very low	49.8	Very low	120 Å²	120	120 Å²	120	56%	0.561	59%	0.591	S	S	*	*	H	α-helix	trans	-63.7	-42.6	173	-85.3	178.1	151.7	0	0	112.4	K10 R16 N17 N18	K10-E14 PolarHBondContact O-N 3.33Å; K10-E14 VanDerWaalsContact O-N 3.14Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 PolarHBondContact O-N 2.86Å; E14-N17 PolarHBondContact O-N 3.5Å; E14-N18 VanDerWaalsContact O-CB 3.26Å; E14-N18 WeakPolarHBondContact O-CB 3.26Å; E14-N18 PolarHBondContact O-N 3.48Å; E14-N18 PolarHBondContact O-ND2 3.23Å
15	K	46.5	Very low	49.9	Very low	154 Å²	154	118.6 Å²	118.6	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-62.5	-40.3	175.4	-82.7	-179.3	178.9	-178.6	0	112.4	T11 L19	T11-K15 WeakPolarHBondContact O-CB 3.38Å; T11-K15 VanDerWaalsContact O-CG 3.29Å; T11-K15 WeakPolarHBondContact O-CG 3.27Å; T11-K15 PolarHBondContact O-N 2.83Å; K15-L19 VanDerWaalsContact O-CB 3.31Å; K15-L19 WeakPolarHBondContact O-CB 3.29Å; K15-L19 PolarHBondContact O-N 3.41Å
16	R	44.8	Very low	50.7	Low	198 Å²	198	117.7 Å²	117.7	75%	0.747	57%	0.574	S	S	*	*	H	α-helix	trans	-69.8	-39.1	179.1	-165.6	-179	-87.6	176.5	-7.1	111.4	T12 S13 E14 L19 S20	T12-R16 WeakPolarHBondContact O-CB 3.3Å; T12-R16 PolarHBondContact O-N 3.2Å; S13-R16 PolarHBondContact O-N 3.16Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 PolarHBondContact O-N 2.86Å; R16-L19 PolarHBondContact O-N 3.46Å; R16-S20 WeakPolarHBondContact O-CB 3.38Å; R16-S20 PolarHBondContact O-N 3.08Å
17	N	51	Low	51.6	Low	107 Å²	107	115.1 Å²	115.1	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-66.2	-43.2	174.3	-69.9	-10.3	0	0	0	111.6	S13 E14 S20 Y21	S13-N17 WeakPolarHBondContact O-CB 3.27Å; S13-N17 PolarHBondContact O-N 3.4Å; S13-N17 PolarHBondContact O-ND2 3.14Å; E14-N17 PolarHBondContact O-N 3.5Å; N17-S20 PolarHBondContact O-N 3.39Å; N17-Y21 VanDerWaalsContact O-CB 3.27Å; N17-Y21 WeakPolarHBondContact O-CB 3.32Å; N17-Y21 PolarHBondContact O-N 3.45Å
18	N	43.4	Very low	52.9	Low	104 Å²	104	115.5 Å²	115.5	56%	0.556	55%	0.548	S	S	*	.	H	α-helix	trans	-66.1	-37.7	176.7	-71.7	-16.7	0	0	0	112.1	E14 Y21 T22	E14-N18 VanDerWaalsContact O-CB 3.26Å; E14-N18 WeakPolarHBondContact O-CB 3.26Å; E14-N18 PolarHBondContact O-N 3.48Å; E14-N18 PolarHBondContact O-ND2 3.23Å; N18-Y21 PolarHBondContact O-N 3.32Å; N18-T22 VanDerWaalsContact O-CB 3.27Å; N18-T22 WeakPolarHBondContact O-CB 3.33Å; N18-T22 PolarHBondContact O-N 3.21Å; N18-T22 PolarHBondContact O-OG1 3.21Å
19	L	49.7	Very low	54.6	Low	117 Å²	117	110 Å²	110	61%	0.613	54%	0.536	S	S	*	.	H	α-helix	trans	-67	-44.6	175.5	-165.2	72.7	0	0	0	111.3	K15 R16 Y21 T22 Q23	K15-L19 VanDerWaalsContact O-CB 3.31Å; K15-L19 WeakPolarHBondContact O-CB 3.29Å; K15-L19 PolarHBondContact O-N 3.41Å; R16-L19 PolarHBondContact O-N 3.46Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.09Å; L19-T22 PolarHBondContact O-N 3.38Å; L19-Q23 VanDerWaalsContact O-CB 3.3Å; L19-Q23 WeakPolarHBondContact O-CB 2.95Å; L19-Q23 PolarHBondContact O-N 2.99Å
20	S	57.1	Low	56.2	Low	77 Å²	77	105.5 Å²	105.5	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-41.3	175.2	178.4	0	0	0	0	112.1	R16 N17 Q23 R24	R16-S20 WeakPolarHBondContact O-CB 3.38Å; R16-S20 PolarHBondContact O-N 3.08Å; N17-S20 PolarHBondContact O-N 3.39Å; S20-Q23 PolarHBondContact O-N 2.93Å; S20-R24 WeakPolarHBondContact O-CB 3.38Å; S20-R24 PolarHBondContact O-N 3.49Å
21	Y	46.2	Very low	57.9	Low	165 Å²	165	100.5 Å²	100.5	65%	0.647	49%	0.494	S	S	*	.	H	α-helix	trans	-65.4	-44.4	176.4	-170.4	-89.1	0	0	0	111.7	N17 N18 L19 R24 F25	N17-Y21 VanDerWaalsContact O-CB 3.27Å; N17-Y21 WeakPolarHBondContact O-CB 3.32Å; N17-Y21 PolarHBondContact O-N 3.45Å; N18-Y21 PolarHBondContact O-N 3.32Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.09Å; Y21-R24 PolarHBondContact O-N 3.47Å; Y21-F25 VanDerWaalsContact O-CB 3.3Å; Y21-F25 WeakPolarHBondContact O-CB 3.5Å; Y21-F25 PolarHBondContact O-N 2.86Å
22	T	51.6	Low	59.2	Low	73 Å²	73	102.4 Å²	102.4	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-44.3	177.5	-56.4	0	0	0	0	110.7	N18 L19 F25 I26	N18-T22 VanDerWaalsContact O-CB 3.27Å; N18-T22 WeakPolarHBondContact O-CB 3.33Å; N18-T22 PolarHBondContact O-N 3.21Å; N18-T22 PolarHBondContact O-OG1 3.21Å; L19-T22 PolarHBondContact O-N 3.38Å; T22-F25 PolarHBondContact O-N 3.49Å; T22-I26 HydrophobicContact CG2-CD1 3.87Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.36Å; T22-I26 PolarHBondContact O-N 3.01Å
23	Q	61.5	Low	60.7	Low	83 Å²	83	106.2 Å²	106.2	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-48.5	176.7	-168.6	162.7	-14.9	0	0	110.8	L19 S20 F25 I26 D27 F67	L19-Q23 VanDerWaalsContact O-CB 3.3Å; L19-Q23 WeakPolarHBondContact O-CB 2.95Å; L19-Q23 PolarHBondContact O-N 2.99Å; S20-Q23 PolarHBondContact O-N 2.93Å; Q23-F25 VanDerWaalsContact C-N 3.31Å; Q23-F25 PolarHBondContact O-N 3.2Å; Q23-I26 PolarHBondContact O-N 3.27Å; Q23-D27 PolarHBondContact O-N 3.45Å; Q23-F67 HydrophobicContact CG-CE1 3.62Å; Q23-F67 HydrophobicContact CG-CZ 3.73Å
24	R	62.8	Low	62.1	Low	170 Å²	170	104.7 Å²	104.7	64%	0.642	49%	0.492	S	S	*	.	H	α-helix	trans	-61.3	-36.3	176.3	-166.6	178.7	-169.2	179.1	3.3	113.3	S20 Y21 D27 Q28	S20-R24 WeakPolarHBondContact O-CB 3.38Å; S20-R24 PolarHBondContact O-N 3.49Å; Y21-R24 PolarHBondContact O-N 3.47Å; R24-D27 PolarHBondContact O-N 2.9Å; R24-Q28 WeakPolarHBondContact O-CG 3.23Å; R24-Q28 PolarHBondContact O-N 3.45Å; R24-Q28 VanDerWaalsContact O-N 3.08Å
25	F	53.9	Low	63.6	Low	118 Å²	118	101.5 Å²	101.5	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-71.6	-40.1	177.8	-174.5	-94	0	0	0	112	Y21 T22 Q23 D27 Q28 T29	Y21-F25 VanDerWaalsContact O-CB 3.3Å; Y21-F25 WeakPolarHBondContact O-CB 3.5Å; Y21-F25 PolarHBondContact O-N 2.86Å; T22-F25 PolarHBondContact O-N 3.49Å; Q23-F25 VanDerWaalsContact C-N 3.31Å; Q23-F25 PolarHBondContact O-N 3.2Å; F25-D27 VanDerWaalsContact C-N 3.28Å; F25-D27 PolarHBondContact O-N 3.44Å; F25-Q28 PolarHBondContact O-N 3.48Å; F25-T29 PolarHBondContact O-N 2.9Å; F25-T29 PolarHBondContact O-OG1 3.29Å
26	I	62.8	Low	65.3	Low	82 Å²	82	100.8 Å²	100.8	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-59.7	-43.3	172	-70.8	167.5	0	0	0	109.4	T22 Q23 Q28 T29 I30	T22-I26 HydrophobicContact CG2-CD1 3.87Å; T22-I26 HydrophobicContact CG2-CG1 4.48Å; T22-I26 WeakPolarHBondContact O-CB 3.41Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.36Å; T22-I26 PolarHBondContact O-N 3.01Å; Q23-I26 PolarHBondContact O-N 3.27Å; I26-Q28 PolarHBondContact O-N 2.94Å; I26-T29 PolarHBondContact O-N 3.32Å; I26-I30 HydrophobicContact CG2-CD1 3.52Å; I26-I30 HydrophobicContact CG2-CG1 4.23Å; I26-I30 WeakPolarHBondContact O-CB 3.47Å; I26-I30 VanDerWaalsContact O-CG1 3.31Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 PolarHBondContact O-N 2.87Å
27	D	72.7	Confident	66.9	Low	37 Å²	37	95.1 Å²	95.1	20%	0.198	46%	0.456	C	S	.	.	H	α-helix	trans	-63	-44.1	179.8	-61.7	-19.4	0	0	0	112.9	Q23 R24 F25 T29 I30 K31 F67	Q23-D27 PolarHBondContact O-N 3.45Å; R24-D27 PolarHBondContact O-N 2.9Å; F25-D27 VanDerWaalsContact C-N 3.28Å; F25-D27 PolarHBondContact O-N 3.44Å; D27-T29 VanDerWaalsContact C-N 3.35Å; D27-I30 PolarHBondContact O-N 3.38Å; D27-K31 WeakPolarHBondContact O-CB 3.3Å; D27-K31 PolarHBondContact O-N 3.35Å; D27-F67 WeakPolarHBondContact OD1-CE2 3.22Å; D27-F67 WeakPolarHBondContact OD1-CZ 3.46Å; D27-F67 VanDerWaalsContact OD2-CE2 3.23Å; D27-F67 WeakPolarHBondContact OD2-CE2 3.49Å; D27-F67 WeakPolarHBondContact OD2-CZ 3.47Å
28	Q	78	Confident	68.2	Low	103 Å²	103	90.1 Å²	90.1	48%	0.481	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175.9	-73.6	179.4	-16.3	0	0	110.5	R24 F25 I26 I30 K31 L32	R24-Q28 WeakPolarHBondContact O-CG 3.23Å; R24-Q28 PolarHBondContact O-N 3.45Å; R24-Q28 VanDerWaalsContact O-N 3.08Å; F25-Q28 PolarHBondContact O-N 3.48Å; I26-Q28 PolarHBondContact O-N 2.94Å; Q28-I30 PolarHBondContact O-N 2.87Å; Q28-K31 PolarHBondContact O-N 3.23Å; Q28-L32 HydrophobicContact CB-CD1 4.49Å; Q28-L32 WeakPolarHBondContact O-CD1 3.32Å; Q28-L32 PolarHBondContact O-N 2.97Å
29	T	78.5	Confident	69.8	Low	78 Å²	78	88.6 Å²	88.6	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-44.9	179.8	-55	0	0	0	0	111.8	F25 I26 D27 R33	F25-T29 PolarHBondContact O-N 2.9Å; F25-T29 PolarHBondContact O-OG1 3.29Å; I26-T29 PolarHBondContact O-N 3.32Å; D27-T29 VanDerWaalsContact C-N 3.35Å; T29-R33 WeakPolarHBondContact O-CB 3.46Å; T29-R33 PolarHBondContact O-N 3.01Å; T29-R33 VanDerWaalsContact O-N 3.09Å
30	I	77.4	Confident	71.1	Confident	58 Å²	58	88.4 Å²	88.4	30%	0.297	42%	0.417	S	S	.	.	H	α-helix	trans	-65	-44.2	176.3	-67.5	172.6	0	0	0	110.4	I26 D27 Q28 L32 R33 L34 I63 L66	I26-I30 HydrophobicContact CG2-CD1 3.52Å; I26-I30 HydrophobicContact CG2-CG1 4.23Å; I26-I30 WeakPolarHBondContact O-CB 3.47Å; I26-I30 VanDerWaalsContact O-CG1 3.31Å; I26-I30 WeakPolarHBondContact O-CG1 3.31Å; I26-I30 PolarHBondContact O-N 2.87Å; D27-I30 PolarHBondContact O-N 3.38Å; Q28-I30 PolarHBondContact O-N 2.87Å; I30-L32 PolarHBondContact O-N 3.48Å; I30-R33 PolarHBondContact O-N 2.83Å; I30-L34 HydrophobicContact CG2-CD1 3.69Å; I30-L34 HydrophobicContact CG2-CG 4.19Å; I30-L34 WeakPolarHBondContact O-CB 3.37Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3Å; I30-I63 HydrophobicContact CG2-CG1 4.22Å; I30-L66 HydrophobicContact CG2-CD1 4.25Å
31	K	79.7	Confident	71.8	Confident	45 Å²	45	89.4 Å²	89.4	20%	0.196	42%	0.416	C	S	.	.	H	α-helix	trans	-56	-51.7	176.6	-172.4	168.7	171.3	166.7	0	111.3	D27 Q28 R33 L34 Q35 E56 A59 N60 I63	D27-K31 WeakPolarHBondContact O-CB 3.3Å; D27-K31 PolarHBondContact O-N 3.35Å; Q28-K31 PolarHBondContact O-N 3.23Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 3.35Å; K31-L34 PolarHBondContact O-N 3.23Å; K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 WeakPolarHBondContact O-CB 3.27Å; K31-Q35 VanDerWaalsContact O-CG 3.27Å; K31-Q35 WeakPolarHBondContact O-CG 3.31Å; K31-Q35 PolarHBondContact O-N 2.85Å; K31-E56 IonicContact NZ-OE1 3.3Å; K31-E56 PolarHBondContact NZ-OE1 2.93Å; K31-A59 HydrophobicContact CG-CB 4.03Å; K31-N60 VanDerWaalsContact CE-OD1 3.31Å; K31-N60 WeakPolarHBondContact CE-OD1 3.31Å; K31-N60 PolarHBondContact NZ-OD1 3.49Å; K31-I63 HydrophobicContact CB-CD1 3.5Å; K31-I63 VanDerWaalsContact CB-CD1 3.5Å; K31-I63 HydrophobicContact CD-CD1 4.37Å; K31-I63 HydrophobicContact CG-CD1 4.02Å
32	L	79.8	Confident	72.9	Confident	114 Å²	114	81.6 Å²	81.6	60%	0.597	39%	0.386	S	S	*	.	H	α-helix	trans	-60.6	-40.1	179.6	-88.9	90.8	0	0	0	111.5	Q28 I30 K36	Q28-L32 HydrophobicContact CB-CD1 4.49Å; Q28-L32 WeakPolarHBondContact O-CD1 3.32Å; Q28-L32 PolarHBondContact O-N 2.97Å; I30-L32 PolarHBondContact O-N 3.48Å; L32-K36 WeakPolarHBondContact O-CB 3.14Å; L32-K36 PolarHBondContact O-N 2.9Å
33	R	81.2	Confident	73.8	Confident	169 Å²	169	82.4 Å²	82.4	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-50.3	177.1	-177.2	176.5	177.9	171	0.3	111.8	T29 I30 K31 Q35 K36 E37	T29-R33 WeakPolarHBondContact O-CB 3.46Å; T29-R33 PolarHBondContact O-N 3.01Å; T29-R33 VanDerWaalsContact O-N 3.09Å; I30-R33 PolarHBondContact O-N 2.83Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 3.35Å; R33-Q35 VanDerWaalsContact C-N 3.33Å; R33-Q35 PolarHBondContact O-N 2.76Å; R33-K36 PolarHBondContact O-N 2.91Å; R33-K36 VanDerWaalsContact O-N 3.17Å; R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.38Å; R33-E37 IonicContact CZ-OE1 2.85Å; R33-E37 IonicContact NE-OE1 2.83Å; R33-E37 PolarHBondContact NE-OE1 3.41Å; R33-E37 IonicContact NH2-OE1 3.89Å; R33-E37 PolarHBondContact NH2-OE1 3.41Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.36Å
34	L	78.5	Confident	73.9	Confident	26 Å²	26	84.5 Å²	84.5	14%	0.136	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-42.1	178.3	-71.6	170.8	0	0	0	111.6	I30 K31 K36 C38 F58 A59 I62 I63	I30-L34 HydrophobicContact CG2-CD1 3.69Å; I30-L34 HydrophobicContact CG2-CG 4.19Å; I30-L34 WeakPolarHBondContact O-CB 3.37Å; I30-L34 WeakPolarHBondContact O-CG 3.38Å; I30-L34 PolarHBondContact O-N 3Å; K31-L34 PolarHBondContact O-N 3.23Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.2Å; L34-C38 WeakPolarHBondContact O-CB 3.35Å; L34-C38 PolarHBondContact O-N 2.85Å; L34-F58 HydrophobicContact CD2-CE1 4.37Å; L34-A59 HydrophobicContact CB-CB 3.85Å; L34-A59 HydrophobicContact CD1-CB 4.44Å; L34-I62 HydrophobicContact CD1-CB 3.76Å; L34-I62 HydrophobicContact CD1-CG2 3.61Å; L34-I62 HydrophobicContact CD2-CG2 4.26Å; L34-I63 HydrophobicContact CD1-CG1 4.43Å
35	Q	78.9	Confident	73.9	Confident	54 Å²	54	80 Å²	80	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-42.4	175	-76.5	178.8	-37.7	0	0	111.8	K31 R33 L39 A59	K31-Q35 HydrophobicContact CG-CG 4.37Å; K31-Q35 WeakPolarHBondContact O-CB 3.27Å; K31-Q35 VanDerWaalsContact O-CG 3.27Å; K31-Q35 WeakPolarHBondContact O-CG 3.31Å; K31-Q35 PolarHBondContact O-N 2.85Å; R33-Q35 VanDerWaalsContact C-N 3.33Å; R33-Q35 PolarHBondContact O-N 2.76Å; Q35-L39 WeakPolarHBondContact O-CB 3.44Å; Q35-L39 PolarHBondContact O-N 2.99Å; Q35-A59 HydrophobicContact CG-CB 3.78Å
36	K	82	Confident	74.2	Confident	138 Å²	138	76.1 Å²	76.1	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-67.1	-47.9	178.5	-175	-179.7	178.9	-178.2	0	112.2	L32 R33 L34 C38 L39 Q40	L32-K36 WeakPolarHBondContact O-CB 3.14Å; L32-K36 PolarHBondContact O-N 2.9Å; R33-K36 PolarHBondContact O-N 2.91Å; R33-K36 VanDerWaalsContact O-N 3.17Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.2Å; K36-C38 VanDerWaalsContact C-N 3.3Å; K36-C38 PolarHBondContact O-N 2.74Å; K36-L39 PolarHBondContact O-N 3.39Å; K36-Q40 WeakPolarHBondContact O-CG 3.06Å; K36-Q40 PolarHBondContact O-N 2.98Å
37	E	78.9	Confident	73.9	Confident	79 Å²	79	77.9 Å²	77.9	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-41.3	177.4	-71.8	176.8	-172.4	0	0	110.6	R33 Q40 L41	R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.38Å; R33-E37 IonicContact CZ-OE1 2.85Å; R33-E37 IonicContact NE-OE1 2.83Å; R33-E37 PolarHBondContact NE-OE1 3.41Å; R33-E37 IonicContact NH2-OE1 3.89Å; R33-E37 PolarHBondContact NH2-OE1 3.41Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.36Å; E37-Q40 PolarHBondContact O-N 3.26Å; E37-L41 WeakPolarHBondContact O-CG 3.49Å; E37-L41 PolarHBondContact O-N 2.88Å
38	C	77.8	Confident	73.4	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.02	42%	0.416	C	S	.	.	H	α-helix	trans	-60.5	-47.6	173.3	177.8	0	0	0	0	112.4	L34 K36 Q40 L41 L42 C55 F58 F95	L34-C38 WeakPolarHBondContact O-CB 3.35Å; L34-C38 PolarHBondContact O-N 2.85Å; K36-C38 VanDerWaalsContact C-N 3.3Å; K36-C38 PolarHBondContact O-N 2.74Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.28Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 2.86Å; C38-L41 VanDerWaalsContact O-N 3.17Å; C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 3.17Å; C38-C55 HydrophobicContact CB-CB 3.73Å; C38-C55 WeakPolarHBondContact CB-SG 3.44Å; C38-C55 WeakPolarHBondContact SG-CA 3.21Å; C38-C55 WeakPolarHBondContact SG-CB 3.41Å; C38-C55 CovalentContact SG-SG 2.04Å; C38-C55 PolarHBondContact SG-SG 2.04Å; C38-F58 HydrophobicContact CB-CD1 4.23Å; C38-F95 WeakPolarHBondContact SG-CZ 3.12Å
39	L	77.2	Confident	72.6	Confident	72 Å²	72	84.4 Å²	84.4	38%	0.377	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-39.9	179.2	-171.8	65.4	0	0	0	111.2	Q35 K36 L42 T43	Q35-L39 WeakPolarHBondContact O-CB 3.44Å; Q35-L39 PolarHBondContact O-N 2.99Å; K36-L39 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.37Å; L39-T43 WeakPolarHBondContact O-CG2 3.35Å; L39-T43 PolarHBondContact O-N 2.91Å; L39-T43 PolarHBondContact O-OG1 3.17Å
40	Q	77.9	Confident	72	Confident	112 Å²	112	88.4 Å²	88.4	52%	0.523	44%	0.438	S	S	.	.	H	α-helix	trans	-62.2	-40.9	174.3	-73.6	178.7	-29.3	0	0	112.6	K36 E37 C38 T43	K36-Q40 WeakPolarHBondContact O-CG 3.06Å; K36-Q40 PolarHBondContact O-N 2.98Å; E37-Q40 PolarHBondContact O-N 3.26Å; C38-Q40 VanDerWaalsContact C-N 3.3Å; C38-Q40 PolarHBondContact O-N 3.28Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.48Å; Q40-T43 PolarHBondContact O-OG1 3.45Å
41	L	70.7	Confident	71.3	Confident	99 Å²	99	86.3 Å²	86.3	52%	0.518	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-46.3	173.1	-73.1	170.4	0	0	0	110.7	E37 C38 T43 N44 F45	E37-L41 WeakPolarHBondContact O-CG 3.49Å; E37-L41 PolarHBondContact O-N 2.88Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 2.86Å; C38-L41 VanDerWaalsContact O-N 3.17Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.47Å; L41-N44 WeakPolarHBondContact O-CB 3.43Å; L41-N44 PolarHBondContact O-N 2.86Å; L41-F45 WeakPolarHBondContact O-CD2 3.25Å
42	L	69.6	Low	70.4	Confident	1 Å²	1	89.8 Å²	89.8	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-67.8	-29.1	-178.7	-68.5	-164.6	0	0	0	113.6	C38 L39 N44 F45 S46 S51 C55 F95 L99	C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 3.17Å; L39-L42 PolarHBondContact O-N 3.37Å; L42-N44 PolarHBondContact O-N 3.48Å; L42-N44 VanDerWaalsContact O-N 3.08Å; L42-F45 CarbonylContact O-C 3.53Å; L42-F45 PolarHBondContact O-N 2.87Å; L42-S46 PolarHBondContact O-N 3.33Å; L42-S46 VanDerWaalsContact O-O 3.14Å; L42-S51 VanDerWaalsContact CD1-CA 3.44Å; L42-S51 WeakPolarHBondContact CD1-O 3.23Å; L42-C55 VanDerWaalsContact CD1-SG 3.51Å; L42-F95 HydrophobicContact CD1-CZ 3.78Å; L42-F95 HydrophobicContact CD2-CE1 3.9Å; L42-F95 HydrophobicContact CD2-CZ 3.77Å; L42-F95 HydrophobicContact CG-CE1 4.36Å; L42-F95 HydrophobicContact CG-CZ 3.91Å; L42-L99 HydrophobicContact CD1-CD2 4.5Å; L42-L99 HydrophobicContact CD2-CD1 3.24Å; L42-L99 HydrophobicContact CD2-CD2 3.43Å; L42-L99 VanDerWaalsContact CD2-CD2 3.43Å; L42-L99 HydrophobicContact CD2-CG 3.93Å
43	T	69.5	Low	69.7	Low	90 Å²	90	90.1 Å²	90.1	55%	0.552	45%	0.447	S	S	*	.	H	α-helix	trans	-59.6	-21.9	175.1	44.8	0	0	0	0	113	L39 Q40 L41	L39-T43 WeakPolarHBondContact O-CG2 3.35Å; L39-T43 PolarHBondContact O-N 2.91Å; L39-T43 PolarHBondContact O-OG1 3.17Å; Q40-T43 WeakPolarHBondContact CA-OG1 3.48Å; Q40-T43 PolarHBondContact O-OG1 3.45Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.47Å
44	N	65.1	Low	69.3	Low	126 Å²	126	83.5 Å²	83.5	67%	0.674	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13	174.2	-63	-28.5	0	0	0	113.7	L41 L42	L41-N44 WeakPolarHBondContact O-CB 3.43Å; L41-N44 PolarHBondContact O-N 2.86Å; L42-N44 PolarHBondContact O-N 3.48Å; L42-N44 VanDerWaalsContact O-N 3.08Å
45	F	62.4	Low	69.2	Low	75 Å²	75	82.5 Å²	82.5	33%	0.329	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-14.8	-171.5	-63.5	-70	0	0	0	115	L41 L42 L99 E101 V102	L41-F45 WeakPolarHBondContact O-CD2 3.25Å; L42-F45 CarbonylContact O-C 3.53Å; L42-F45 PolarHBondContact O-N 2.87Å; F45-L99 HydrophobicContact CB-CD1 4.39Å; F45-E101 VanDerWaalsContact O-OE2 3.13Å; F45-V102 HydrophobicContact CD1-CG2 4.38Å
46	S	60.2	Low	69.1	Low	38 Å²	38	84.2 Å²	84.2	27%	0.266	43%	0.429	S	S	.	.			trans	-167.6	130.3	-177	-157.9	0	0	0	0	113.4	L42	L42-S46 PolarHBondContact O-N 3.33Å; L42-S46 VanDerWaalsContact O-O 3.14Å
47	S	55.7	Low	68.9	Low	118 Å²	118	81.1 Å²	81.1	83%	0.825	43%	0.425	S	S	*	.			trans	-102.2	35.5	179.2	-90	0	0	0	0	114.6
48	N	62.2	Low	69	Low	112 Å²	112	78.8 Å²	78.8	60%	0.599	41%	0.414	S	S	*	.	S	Bend	trans	-129.3	149.2	-173.7	-76.3	-26.1	0	0	0	113.8	K50 S51	N48-K50 PolarHBondContact O-N 2.87Å; N48-S51 WeakPolarHBondContact O-CB 3.08Å; N48-S51 PolarHBondContact O-N 2.78Å; N48-S51 PolarHBondContact O-OG 3.22Å
49	K	62.2	Low	69.1	Low	165 Å²	165	78.6 Å²	78.6	72%	0.717	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-21	175	-172	173.9	-178	176.5	0	115.5	S51 E52	K49-S51 PolarHBondContact O-N 2.8Å; K49-E52 PolarHBondContact O-N 3.3Å
50	K	65.9	Low	69.1	Low	163 Å²	163	78 Å²	78	71%	0.709	41%	0.41	S	S	*	.	H	α-helix	trans	-59.1	-29.3	170.9	-166	177.7	179.7	-172.7	0	112.2	N48 S54	N48-K50 PolarHBondContact O-N 2.87Å; K50-S54 WeakPolarHBondContact O-CB 2.76Å; K50-S54 PolarHBondContact O-N 3.42Å
51	S	62.8	Low	69.1	Low	14 Å²	14	74.8 Å²	74.8	10%	0.098	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-43.8	177.4	65.2	0	0	0	0	112.5	L42 N48 K49 S54 C55	L42-S51 VanDerWaalsContact CD1-CA 3.44Å; L42-S51 WeakPolarHBondContact CD1-O 3.23Å; N48-S51 WeakPolarHBondContact O-CB 3.08Å; N48-S51 PolarHBondContact O-N 2.78Å; N48-S51 PolarHBondContact O-OG 3.22Å; K49-S51 PolarHBondContact O-N 2.8Å; S51-S54 WeakPolarHBondContact O-CB 3.01Å; S51-S54 PolarHBondContact O-N 3.08Å; S51-C55 PolarHBondContact O-N 2.84Å; S51-C55 PolarHBondContact O-SG 3.31Å; S51-C55 VanDerWaalsContact O-SG 3.4Å
52	E	60.2	Low	69.3	Low	118 Å²	118	70.5 Å²	70.5	55%	0.551	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-47.6	-178.5	-68.8	-177.7	161.6	0	0	112.2	K49 S54 C55 E56	K49-E52 PolarHBondContact O-N 3.3Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.44Å; E52-C55 PolarHBondContact O-N 3.09Å; E52-E56 PolarHBondContact O-N 3.26Å
53	I	65.4	Low	69.6	Low	121 Å²	121	71.2 Å²	71.2	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-62.3	-41.1	178.3	-61.2	174.8	0	0	0	110.2	E56 S57	I53-E56 PolarHBondContact O-N 2.77Å; I53-S57 PolarHBondContact O-N 2.87Å; I53-S57 VanDerWaalsContact O-N 3.09Å
54	S	72.3	Confident	69.8	Low	30 Å²	30	71.6 Å²	71.6	21%	0.21	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-44.2	177.9	-159.9	0	0	0	0	110.8	K50 S51 E52 S57 F58 F95	K50-S54 WeakPolarHBondContact O-CB 2.76Å; K50-S54 PolarHBondContact O-N 3.42Å; S51-S54 WeakPolarHBondContact O-CB 3.01Å; S51-S54 PolarHBondContact O-N 3.08Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.44Å; S54-S57 PolarHBondContact O-N 3.4Å; S54-F58 WeakPolarHBondContact O-CB 3.47Å; S54-F58 PolarHBondContact O-N 2.91Å; S54-F95 VanDerWaalsContact C-CE2 3.48Å; S54-F95 WeakPolarHBondContact O-CE2 3.29Å; S54-F95 WeakPolarHBondContact OG-CD2 3.38Å; S54-F95 WeakPolarHBondContact OG-CE2 3.49Å
55	C	77	Confident	70.2	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.027	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-36	179.4	-74.6	0	0	0	0	113.7	C38 L42 S51 E52 F58 A59	C38-C55 HydrophobicContact CB-CB 3.73Å; C38-C55 WeakPolarHBondContact CB-SG 3.44Å; C38-C55 WeakPolarHBondContact SG-CA 3.21Å; C38-C55 WeakPolarHBondContact SG-CB 3.41Å; C38-C55 CovalentContact SG-SG 2.04Å; C38-C55 PolarHBondContact SG-SG 2.04Å; L42-C55 VanDerWaalsContact CD1-SG 3.51Å; S51-C55 PolarHBondContact O-N 2.84Å; S51-C55 PolarHBondContact O-SG 3.31Å; S51-C55 VanDerWaalsContact O-SG 3.4Å; E52-C55 PolarHBondContact O-N 3.09Å; C55-F58 PolarHBondContact O-N 3.01Å; C55-A59 WeakPolarHBondContact O-CB 3.37Å; C55-A59 PolarHBondContact O-N 2.95Å
56	E	76.8	Confident	70.6	Confident	90 Å²	90	66 Å²	66	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-45.3	172.7	177.1	161.2	-150.3	0	0	111.7	K31 E52 I53 F58 A59 N60	K31-E56 IonicContact NZ-OE1 3.3Å; K31-E56 PolarHBondContact NZ-OE1 2.93Å; E52-E56 PolarHBondContact O-N 3.26Å; I53-E56 PolarHBondContact O-N 2.77Å; E56-F58 VanDerWaalsContact C-N 3.31Å; E56-F58 PolarHBondContact O-N 3.38Å; E56-A59 PolarHBondContact O-N 3.43Å; E56-N60 VanDerWaalsContact O-CG 3.26Å; E56-N60 PolarHBondContact O-N 3.49Å; E56-N60 PolarHBondContact O-ND2 3.45Å
57	S	78	Confident	71	Confident	73 Å²	73	67.4 Å²	67.4	51%	0.51	35%	0.354	S	S	.	.	H	α-helix	trans	-59.6	-43.7	176.4	-170.2	0	0	0	0	111.6	I53 S54 N60 S61	I53-S57 PolarHBondContact O-N 2.87Å; I53-S57 VanDerWaalsContact O-N 3.09Å; S54-S57 PolarHBondContact O-N 3.4Å; S57-N60 PolarHBondContact O-N 3.08Å; S57-S61 PolarHBondContact O-N 3.3Å; S57-S61 PolarHBondContact O-OG 3.48Å; S57-S61 VanDerWaalsContact O-OG 3.08Å
58	F	80.7	Confident	71.5	Confident	30 Å²	30	67.7 Å²	67.7	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-50.4	176.1	174.3	-106.6	0	0	0	111.8	L34 C38 S54 C55 E56 N60 S61 I62 T91 A92 F95	L34-F58 HydrophobicContact CD2-CE1 4.37Å; C38-F58 HydrophobicContact CB-CD1 4.23Å; S54-F58 WeakPolarHBondContact O-CB 3.47Å; S54-F58 PolarHBondContact O-N 2.91Å; C55-F58 PolarHBondContact O-N 3.01Å; E56-F58 VanDerWaalsContact C-N 3.31Å; E56-F58 PolarHBondContact O-N 3.38Å; F58-N60 VanDerWaalsContact C-N 3.33Å; F58-N60 PolarHBondContact O-N 3.04Å; F58-S61 PolarHBondContact O-N 3.02Å; F58-S61 VanDerWaalsContact O-N 3.17Å; F58-I62 HydrophobicContact CD2-CG1 4.23Å; F58-I62 HydrophobicContact CE1-CG1 4.11Å; F58-I62 HydrophobicContact CE2-CD1 3.85Å; F58-I62 HydrophobicContact CE2-CG1 3.74Å; F58-I62 HydrophobicContact CZ-CD1 4Å; F58-I62 HydrophobicContact CZ-CG1 3.68Å; F58-I62 WeakPolarHBondContact O-CG1 2.98Å; F58-I62 PolarHBondContact O-N 3.32Å; F58-T91 HydrophobicContact CD2-CG2 4.19Å; F58-T91 HydrophobicContact CE2-CG2 4.33Å; F58-A92 HydrophobicContact CE2-CB 3.94Å; F58-A92 HydrophobicContact CZ-CB 4.34Å; F58-F95 HydrophobicContact CB-CD2 3.67Å; F58-F95 HydrophobicContact CB-CE2 3.95Å; F58-F95 HydrophobicContact CB-CG 4.17Å; F58-F95 HydrophobicContact CD2-CB 3.93Å; F58-F95 HydrophobicContact CD2-CD1 4.47Å; F58-F95 HydrophobicContact CD2-CD2 4.34Å; F58-F95 AromaticContact CD2-CG 3.99Å; F58-F95 HydrophobicContact CD2-CG 3.99Å; F58-F95 HydrophobicContact CG-CD2 4.19Å; F58-F95 HydrophobicContact CG-CG 4.21Å
59	A	79	Confident	71.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-42.5	-179.2	0	0	0	0	0	112	K31 L34 Q35 C55 E56 I62 I63	K31-A59 HydrophobicContact CG-CB 4.03Å; L34-A59 HydrophobicContact CB-CB 3.85Å; L34-A59 HydrophobicContact CD1-CB 4.44Å; Q35-A59 HydrophobicContact CG-CB 3.78Å; C55-A59 WeakPolarHBondContact O-CB 3.37Å; C55-A59 PolarHBondContact O-N 2.95Å; E56-A59 PolarHBondContact O-N 3.43Å; A59-I62 PolarHBondContact O-N 3.05Å; A59-I63 WeakPolarHBondContact O-CD1 3.06Å; A59-I63 VanDerWaalsContact O-CG1 3.25Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 3.43Å
60	N	77.4	Confident	71	Confident	59 Å²	59	63 Å²	63	32%	0.316	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.4	-65.4	-26.1	0	0	0	111.5	K31 E56 S57 F58 I62 I63 D64	K31-N60 VanDerWaalsContact CE-OD1 3.31Å; K31-N60 WeakPolarHBondContact CE-OD1 3.31Å; K31-N60 PolarHBondContact NZ-OD1 3.49Å; E56-N60 VanDerWaalsContact O-CG 3.26Å; E56-N60 PolarHBondContact O-N 3.49Å; E56-N60 PolarHBondContact O-ND2 3.45Å; S57-N60 PolarHBondContact O-N 3.08Å; F58-N60 VanDerWaalsContact C-N 3.33Å; F58-N60 PolarHBondContact O-N 3.04Å; N60-I62 PolarHBondContact O-N 3.17Å; N60-I63 PolarHBondContact O-N 2.91Å; N60-D64 VanDerWaalsContact O-CG 3.3Å; N60-D64 PolarHBondContact O-N 3.25Å
61	S	77.9	Confident	70.4	Confident	44 Å²	44	63 Å²	63	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178.6	-64.6	0	0	0	0	112.6	S57 F58 D64 L65	S57-S61 PolarHBondContact O-N 3.3Å; S57-S61 PolarHBondContact O-OG 3.48Å; S57-S61 VanDerWaalsContact O-OG 3.08Å; F58-S61 PolarHBondContact O-N 3.02Å; F58-S61 VanDerWaalsContact O-N 3.17Å; S61-D64 PolarHBondContact O-N 3.29Å; S61-L65 VanDerWaalsContact O-CG 3.29Å; S61-L65 WeakPolarHBondContact O-CG 2.99Å; S61-L65 PolarHBondContact O-N 3.44Å; S61-L65 VanDerWaalsContact O-N 3.09Å
62	I	75.5	Confident	69.7	Low	9 Å²	9	63.7 Å²	63.7	5%	0.046	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-40.1	176	-62.3	-63	0	0	0	111	L34 F58 A59 N60 L65 L66 M88 T91	L34-I62 HydrophobicContact CD1-CB 3.76Å; L34-I62 HydrophobicContact CD1-CG2 3.61Å; L34-I62 HydrophobicContact CD2-CG2 4.26Å; F58-I62 HydrophobicContact CD2-CG1 4.23Å; F58-I62 HydrophobicContact CE1-CG1 4.11Å; F58-I62 HydrophobicContact CE2-CD1 3.85Å; F58-I62 HydrophobicContact CE2-CG1 3.74Å; F58-I62 HydrophobicContact CZ-CD1 4Å; F58-I62 HydrophobicContact CZ-CG1 3.68Å; F58-I62 WeakPolarHBondContact O-CG1 2.98Å; F58-I62 PolarHBondContact O-N 3.32Å; A59-I62 PolarHBondContact O-N 3.05Å; N60-I62 PolarHBondContact O-N 3.17Å; I62-L65 HydrophobicContact CD1-CD1 4.44Å; I62-L65 WeakPolarHBondContact O-CB 3.11Å; I62-L65 PolarHBondContact O-N 3.22Å; I62-L66 HydrophobicContact CG2-CD1 4.09Å; I62-L66 HydrophobicContact CG2-CG 4.38Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 2.96Å; I62-M88 HydrophobicContact CD1-CB 4.05Å; I62-M88 HydrophobicContact CD1-CG 3.97Å; I62-M88 HydrophobicContact CG2-SD 4.43Å; I62-T91 HydrophobicContact CD1-CG2 4.15Å
63	I	74.4	Confident	69.1	Low	16 Å²	16	66.8 Å²	66.8	8%	0.082	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-45.3	175.9	-71	165.8	0	0	0	110.8	I30 K31 L34 A59 N60 L65 L66 F67	I30-I63 HydrophobicContact CG2-CG1 4.22Å; K31-I63 HydrophobicContact CB-CD1 3.5Å; K31-I63 VanDerWaalsContact CB-CD1 3.5Å; K31-I63 HydrophobicContact CD-CD1 4.37Å; K31-I63 HydrophobicContact CG-CD1 4.02Å; L34-I63 HydrophobicContact CD1-CG1 4.43Å; A59-I63 WeakPolarHBondContact O-CD1 3.06Å; A59-I63 VanDerWaalsContact O-CG1 3.25Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 3.43Å; N60-I63 PolarHBondContact O-N 2.91Å; I63-L65 PolarHBondContact O-N 3.09Å; I63-L66 PolarHBondContact O-N 3.48Å; I63-F67 HydrophobicContact CG2-CD2 3.59Å; I63-F67 HydrophobicContact CG2-CE2 3.48Å; I63-F67 VanDerWaalsContact CG2-CE2 3.48Å; I63-F67 WeakPolarHBondContact O-CD2 3.27Å; I63-F67 PolarHBondContact O-N 3.3Å; I63-F67 VanDerWaalsContact O-N 3.09Å
64	D	74.3	Confident	68.2	Low	98 Å²	98	67.9 Å²	67.9	52%	0.524	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-38	176.3	-70.6	-21.9	0	0	0	111.8	N60 S61 F67 Q68	N60-D64 VanDerWaalsContact O-CG 3.3Å; N60-D64 PolarHBondContact O-N 3.25Å; S61-D64 PolarHBondContact O-N 3.29Å; D64-F67 PolarHBondContact O-N 3.2Å; D64-Q68 WeakPolarHBondContact O-CG 3.33Å; D64-Q68 PolarHBondContact O-N 3.06Å
65	L	73.4	Confident	67	Low	19 Å²	19	74.7 Å²	74.7	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-67.6	-44.1	176	-71.2	176.1	0	0	0	112.8	S61 I62 I63 F67 Q68 K87 M88	S61-L65 VanDerWaalsContact O-CG 3.29Å; S61-L65 WeakPolarHBondContact O-CG 2.99Å; S61-L65 PolarHBondContact O-N 3.44Å; S61-L65 VanDerWaalsContact O-N 3.09Å; I62-L65 HydrophobicContact CD1-CD1 4.44Å; I62-L65 WeakPolarHBondContact O-CB 3.11Å; I62-L65 PolarHBondContact O-N 3.22Å; I63-L65 PolarHBondContact O-N 3.09Å; L65-F67 PolarHBondContact O-N 3.32Å; L65-Q68 PolarHBondContact O-N 3.41Å; L65-K87 HydrophobicContact CD1-CB 3.72Å; L65-K87 HydrophobicContact CD2-CB 3.57Å; L65-K87 HydrophobicContact CD2-CD 3.5Å; L65-K87 HydrophobicContact CD2-CG 4.12Å; L65-K87 HydrophobicContact CG-CB 4.26Å; L65-M88 HydrophobicContact CD1-CG 4.09Å
66	L	71.7	Confident	66.1	Low	65 Å²	65	78.4 Å²	78.4	34%	0.34	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-29.4	178.2	-69.5	171.7	0	0	0	111.9	I30 I62 I63 M88	I30-L66 HydrophobicContact CG2-CD1 4.25Å; I62-L66 HydrophobicContact CG2-CD1 4.09Å; I62-L66 HydrophobicContact CG2-CG 4.38Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 2.96Å; I63-L66 PolarHBondContact O-N 3.48Å; L66-M88 HydrophobicContact CD2-SD 4.16Å
67	F	68.4	Low	65	Low	67 Å²	67	79.8 Å²	79.8	29%	0.294	42%	0.416	S	S	.	.	H	α-helix	trans	-81.2	-20.3	-180	-82.7	-54.6	0	0	0	116.3	Q23 D27 I63 D64 L65 E69	Q23-F67 HydrophobicContact CG-CE1 3.62Å; Q23-F67 HydrophobicContact CG-CZ 3.73Å; D27-F67 WeakPolarHBondContact OD1-CE2 3.22Å; D27-F67 WeakPolarHBondContact OD1-CZ 3.46Å; D27-F67 VanDerWaalsContact OD2-CE2 3.23Å; D27-F67 WeakPolarHBondContact OD2-CE2 3.49Å; D27-F67 WeakPolarHBondContact OD2-CZ 3.47Å; I63-F67 HydrophobicContact CG2-CD2 3.59Å; I63-F67 HydrophobicContact CG2-CE2 3.48Å; I63-F67 VanDerWaalsContact CG2-CE2 3.48Å; I63-F67 WeakPolarHBondContact O-CD2 3.27Å; I63-F67 PolarHBondContact O-N 3.3Å; I63-F67 VanDerWaalsContact O-N 3.09Å; D64-F67 PolarHBondContact O-N 3.2Å; L65-F67 PolarHBondContact O-N 3.32Å; F67-E69 PolarHBondContact O-N 3.24Å
68	Q	66.9	Low	64.1	Low	124 Å²	124	80.7 Å²	80.7	58%	0.579	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12	-179.9	-75.6	-178.9	7.3	0	0	113.5	D64 L65 N70	D64-Q68 WeakPolarHBondContact O-CG 3.33Å; D64-Q68 PolarHBondContact O-N 3.06Å; L65-Q68 PolarHBondContact O-N 3.41Å; Q68-N70 VanDerWaalsContact C-N 3.34Å; Q68-N70 PolarHBondContact O-N 3.19Å
69	E	59.8	Low	63.2	Low	52 Å²	52	81.6 Å²	81.6	24%	0.243	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.6	-171	-73.4	-161.6	133.7	0	0	116.5	F67 N71 L80 T84	F67-E69 PolarHBondContact O-N 3.24Å; E69-N71 VanDerWaalsContact C-N 3.32Å; E69-N71 PolarHBondContact O-N 2.92Å; E69-N71 VanDerWaalsContact O-N 3.1Å; E69-L80 HydrophobicContact CB-CD2 4.04Å; E69-L80 HydrophobicContact CB-CG 4.45Å; E69-L80 HydrophobicContact CG-CD1 4.48Å; E69-L80 HydrophobicContact CG-CD2 4.22Å; E69-L80 HydrophobicContact CG-CG 4.09Å; E69-L80 WeakPolarHBondContact O-CD2 3.47Å; E69-T84 HydrophobicContact CG-CG2 4.1Å; E69-T84 VanDerWaalsContact CG-OG1 3.22Å; E69-T84 WeakPolarHBondContact CG-OG1 3.32Å; E69-T84 WeakPolarHBondContact OE1-CB 3.45Å; E69-T84 PolarHBondContact OE1-OG1 2.85Å
70	N	54.3	Low	62.4	Low	126 Å²	126	83.8 Å²	83.8	67%	0.674	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	10.3	-165.9	-80	-38.9	0	0	0	117.5	Q68	Q68-N70 VanDerWaalsContact C-N 3.34Å; Q68-N70 PolarHBondContact O-N 3.19Å
71	N	53.3	Low	62.3	Low	165 Å²	165	87.2 Å²	87.2	88%	0.882	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	14.2	-167.8	-72.8	-20.1	0	0	0	118.5	E69	E69-N71 VanDerWaalsContact C-N 3.32Å; E69-N71 PolarHBondContact O-N 2.92Å; E69-N71 VanDerWaalsContact O-N 3.1Å
72	G	48	Very low	62.4	Low	28 Å²	28	91.1 Å²	91.1	29%	0.289	47%	0.465	S	S	.	.			trans	-105.4	145.2	-173.9	0	0	0	0	0	117.8
73	K	46.4	Very low	62.8	Low	182 Å²	182	91.4 Å²	91.4	79%	0.791	47%	0.468	S	S	*	.			trans	-67.3	158.5	173	-79.2	177.9	177.9	174.8	0	111.5	L75 D76 K77	K73-L75 VanDerWaalsContact C-N 3.34Å; K73-L75 PolarHBondContact O-N 3.31Å; K73-L75 VanDerWaalsContact O-N 3.14Å; K73-D76 CarbonylContact O-C 3.56Å; K73-D76 VanDerWaalsContact O-CA 3.26Å; K73-D76 WeakPolarHBondContact O-CA 3.17Å; K73-D76 WeakPolarHBondContact O-CB 3.23Å; K73-D76 PolarHBondContact O-N 3.17Å; K73-K77 PolarHBondContact O-N 2.99Å
74	L	47.5	Very low	63.1	Low	144 Å²	144	91 Å²	91	75%	0.754	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.3	-169.9	-102.4	119.7	0	0	0	117.1	D76 K77	L74-D76 VanDerWaalsContact C-N 3.3Å; L74-K77 HydrophobicContact CG-CD 4.36Å
75	L	46.3	Very low	63.4	Low	173 Å²	173	87.3 Å²	87.3	91%	0.906	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.1	172.7	-82.8	157.1	0	0	0	112.9	K73	K73-L75 VanDerWaalsContact C-N 3.34Å; K73-L75 PolarHBondContact O-N 3.31Å; K73-L75 VanDerWaalsContact O-N 3.14Å
76	D	57.8	Low	64	Low	83 Å²	83	86.9 Å²	86.9	44%	0.444	45%	0.45	S	S	.	.	H	α-helix	trans	-84.9	-12.9	174.3	-144.9	5.5	0	0	0	111.3	K73 L74 V78 S79 L80	K73-D76 CarbonylContact O-C 3.56Å; K73-D76 VanDerWaalsContact O-CA 3.26Å; K73-D76 WeakPolarHBondContact O-CA 3.17Å; K73-D76 WeakPolarHBondContact O-CB 3.23Å; K73-D76 PolarHBondContact O-N 3.17Å; L74-D76 VanDerWaalsContact C-N 3.3Å; D76-V78 PolarHBondContact O-N 3.45Å; D76-S79 WeakPolarHBondContact CA-OG 3.41Å; D76-S79 PolarHBondContact O-OG 3.44Å; D76-S79 PolarHBondContact OD1-OG 2.9Å; D76-L80 WeakPolarHBondContact O-CA 3.37Å; D76-L80 WeakPolarHBondContact O-CB 3.26Å; D76-L80 PolarHBondContact O-N 3.31Å
77	K	55.2	Low	64.7	Low	119 Å²	119	85.5 Å²	85.5	52%	0.517	44%	0.441	S	S	.	.	H	α-helix	trans	-69.8	-33.3	-176.8	-75.6	-171.9	175.6	-167.9	0	113.3	K73 L74 H81	K73-K77 PolarHBondContact O-N 2.99Å; L74-K77 HydrophobicContact CG-CD 4.36Å; K77-H81 WeakPolarHBondContact O-CB 3.45Å; K77-H81 PolarHBondContact O-N 2.84Å
78	V	58.9	Low	65.2	Low	92 Å²	92	85 Å²	85	56%	0.558	44%	0.44	S	S	*	.	H	α-helix	trans	-72.9	-48.6	179.6	176.7	0	0	0	0	109.9	D76 L80 H81 F82	D76-V78 PolarHBondContact O-N 3.45Å; V78-L80 VanDerWaalsContact C-N 3.32Å; V78-L80 PolarHBondContact O-N 3.09Å; V78-H81 PolarHBondContact O-N 3.32Å; V78-F82 HydrophobicContact CG1-CD2 3.74Å; V78-F82 HydrophobicContact CG1-CE2 3.34Å; V78-F82 HydrophobicContact CG1-CZ 4.39Å; V78-F82 WeakPolarHBondContact O-CD2 3.24Å; V78-F82 PolarHBondContact O-N 3.49Å
79	S	60.9	Low	66	Low	49 Å²	49	83.2 Å²	83.2	34%	0.343	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-40.6	172.7	44	0	0	0	0	111.7	D76 F82 C83	D76-S79 WeakPolarHBondContact CA-OG 3.41Å; D76-S79 PolarHBondContact O-OG 3.44Å; D76-S79 PolarHBondContact OD1-OG 2.9Å; S79-F82 PolarHBondContact O-N 3.09Å; S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.2Å
80	L	62.5	Low	67.3	Low	46 Å²	46	81.2 Å²	81.2	24%	0.241	43%	0.429	C	S	.	.	H	α-helix	trans	-62.9	-45.2	177.2	-172	71.7	0	0	0	111.6	E69 D76 V78 F82 C83 T84	E69-L80 HydrophobicContact CB-CD2 4.04Å; E69-L80 HydrophobicContact CB-CG 4.45Å; E69-L80 HydrophobicContact CG-CD1 4.48Å; E69-L80 HydrophobicContact CG-CD2 4.22Å; E69-L80 HydrophobicContact CG-CG 4.09Å; E69-L80 WeakPolarHBondContact O-CD2 3.47Å; D76-L80 WeakPolarHBondContact O-CA 3.37Å; D76-L80 WeakPolarHBondContact O-CB 3.26Å; D76-L80 PolarHBondContact O-N 3.31Å; V78-L80 VanDerWaalsContact C-N 3.32Å; V78-L80 PolarHBondContact O-N 3.09Å; L80-F82 PolarHBondContact O-N 2.94Å; L80-C83 PolarHBondContact O-N 3.41Å; L80-T84 WeakPolarHBondContact O-CB 3.46Å; L80-T84 PolarHBondContact O-N 3.27Å; L80-T84 PolarHBondContact O-OG1 3.35Å
81	H	74.2	Confident	68.7	Low	130 Å²	130	76 Å²	76	60%	0.602	40%	0.402	S	S	*	.	H	α-helix	trans	-64.9	-39.9	178.1	-171.9	-90.8	0	0	0	111.9	K77 V78 G85	K77-H81 WeakPolarHBondContact O-CB 3.45Å; K77-H81 PolarHBondContact O-N 2.84Å; V78-H81 PolarHBondContact O-N 3.32Å; H81-G85 PolarHBondContact O-N 3.35Å
82	F	81	Confident	70	Confident	126 Å²	126	69.5 Å²	69.5	55%	0.553	37%	0.371	S	S	*	.	H	α-helix	trans	-67.7	-39.8	174	-71.2	-57.6	0	0	0	112.2	V78 S79 L80 G85 C86 I153	V78-F82 HydrophobicContact CG1-CD2 3.74Å; V78-F82 HydrophobicContact CG1-CE2 3.34Å; V78-F82 HydrophobicContact CG1-CZ 4.39Å; V78-F82 WeakPolarHBondContact O-CD2 3.24Å; V78-F82 PolarHBondContact O-N 3.49Å; S79-F82 PolarHBondContact O-N 3.09Å; L80-F82 PolarHBondContact O-N 2.94Å; F82-G85 PolarHBondContact O-N 2.97Å; F82-C86 WeakPolarHBondContact O-CB 3.22Å; F82-C86 PolarHBondContact O-N 2.96Å; F82-I153 VanDerWaalsContact C-CG2 3.5Å; F82-I153 HydrophobicContact CB-CG2 3.8Å; F82-I153 VanDerWaalsContact O-CG2 3.27Å; F82-I153 WeakPolarHBondContact O-CG2 3.37Å
83	C	84.2	Confident	71.7	Confident	16 Å²	16	70.8 Å²	70.8	11%	0.108	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-47.2	176.9	-179.7	0	0	0	0	110.9	S79 L80 C86 K87 C154	S79-C83 WeakPolarHBondContact O-CB 3.29Å; S79-C83 PolarHBondContact O-N 3.2Å; L80-C83 PolarHBondContact O-N 3.41Å; C83-C86 WeakPolarHBondContact O-CB 3.41Å; C83-C86 PolarHBondContact O-N 3.02Å; C83-K87 VanDerWaalsContact O-CG 3.29Å; C83-K87 WeakPolarHBondContact O-CG 3.36Å; C83-K87 PolarHBondContact O-N 2.87Å; C83-C154 WeakPolarHBondContact CA-SG 3.3Å; C83-C154 HydrophobicContact CB-CB 4.02Å; C83-C154 WeakPolarHBondContact CB-SG 3.48Å; C83-C154 WeakPolarHBondContact SG-CB 3.49Å; C83-C154 CovalentContact SG-SG 2.03Å; C83-C154 PolarHBondContact SG-SG 2.56Å
84	T	80.3	Confident	73.5	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.7	-55.6	0	0	0	0	111.4	E69 L80 C86 K87 M88	E69-T84 HydrophobicContact CG-CG2 4.1Å; E69-T84 VanDerWaalsContact CG-OG1 3.22Å; E69-T84 WeakPolarHBondContact CG-OG1 3.32Å; E69-T84 WeakPolarHBondContact OE1-CB 3.45Å; E69-T84 PolarHBondContact OE1-OG1 2.85Å; L80-T84 WeakPolarHBondContact O-CB 3.46Å; L80-T84 PolarHBondContact O-N 3.27Å; L80-T84 PolarHBondContact O-OG1 3.35Å; T84-C86 VanDerWaalsContact C-N 3.33Å; T84-C86 PolarHBondContact O-N 3.1Å; T84-K87 PolarHBondContact O-N 2.74Å; T84-M88 HydrophobicContact CG2-CE 4.09Å; T84-M88 HydrophobicContact CG2-CG 4.46Å; T84-M88 HydrophobicContact CG2-SD 4.46Å; T84-M88 WeakPolarHBondContact O-CB 3.35Å; T84-M88 VanDerWaalsContact O-CG 3.32Å; T84-M88 WeakPolarHBondContact O-CG 3.06Å; T84-M88 PolarHBondContact O-N 3.13Å
85	G	80.7	Confident	75	Confident	21 Å²	21	57.6 Å²	57.6	22%	0.216	31%	0.31	C	S	.	.	H	α-helix	trans	-56	-45.3	172.6	0	0	0	0	0	112.7	H81 F82 M88 T89	H81-G85 PolarHBondContact O-N 3.35Å; F82-G85 PolarHBondContact O-N 2.97Å; G85-M88 PolarHBondContact O-N 3.3Å; G85-T89 WeakPolarHBondContact O-CB 3.49Å; G85-T89 PolarHBondContact O-N 3.17Å; G85-T89 PolarHBondContact O-OG1 3.45Å
86	C	86.4	Confident	76.4	Confident	11 Å²	11	52.7 Å²	52.7	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-50.1	174.1	176.1	0	0	0	0	111	F82 C83 T84 M88 T89 V90 C148 I153	F82-C86 WeakPolarHBondContact O-CB 3.22Å; F82-C86 PolarHBondContact O-N 2.96Å; C83-C86 WeakPolarHBondContact O-CB 3.41Å; C83-C86 PolarHBondContact O-N 3.02Å; T84-C86 VanDerWaalsContact C-N 3.33Å; T84-C86 PolarHBondContact O-N 3.1Å; C86-M88 VanDerWaalsContact C-N 3.29Å; C86-M88 PolarHBondContact O-N 2.85Å; C86-T89 PolarHBondContact O-N 3.27Å; C86-T89 VanDerWaalsContact O-N 3.09Å; C86-V90 WeakPolarHBondContact O-CB 3.37Å; C86-V90 WeakPolarHBondContact O-CG2 3.27Å; C86-V90 PolarHBondContact O-N 3.41Å; C86-C148 HydrophobicContact CB-CB 3.89Å; C86-C148 WeakPolarHBondContact CB-SG 2.98Å; C86-C148 WeakPolarHBondContact SG-CA 3.03Å; C86-C148 WeakPolarHBondContact SG-CB 3.49Å; C86-C148 CovalentContact SG-SG 2.04Å; C86-C148 PolarHBondContact SG-SG 3.44Å; C86-I153 HydrophobicContact CB-CB 4.3Å; C86-I153 HydrophobicContact CB-CD1 4.37Å; C86-I153 HydrophobicContact CB-CG2 3.76Å
87	K	85.3	Confident	77.4	Confident	35 Å²	35	49.3 Å²	49.3	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-41.5	-178.9	-68.9	178.2	-177.9	173.3	0	111.3	L65 C83 T84 T91 V144 C148	L65-K87 HydrophobicContact CD1-CB 3.72Å; L65-K87 HydrophobicContact CD2-CB 3.57Å; L65-K87 HydrophobicContact CD2-CD 3.5Å; L65-K87 HydrophobicContact CD2-CG 4.12Å; L65-K87 HydrophobicContact CG-CB 4.26Å; C83-K87 VanDerWaalsContact O-CG 3.29Å; C83-K87 WeakPolarHBondContact O-CG 3.36Å; C83-K87 PolarHBondContact O-N 2.87Å; T84-K87 PolarHBondContact O-N 2.74Å; K87-T91 VanDerWaalsContact O-CB 3.24Å; K87-T91 WeakPolarHBondContact O-CB 3.46Å; K87-T91 PolarHBondContact O-N 3.38Å; K87-T91 PolarHBondContact O-OG1 2.89Å; K87-V144 HydrophobicContact CB-CG1 3.72Å; K87-V144 HydrophobicContact CG-CG1 3.91Å; K87-V144 WeakPolarHBondContact O-CG1 3.27Å; K87-C148 PolarHBondContact N-SG 3.38Å; K87-C148 VanDerWaalsContact N-SG 3.36Å
88	M	80.1	Confident	78.3	Confident	58 Å²	58	48.6 Å²	48.6	29%	0.286	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-45.6	174.8	-72.3	-172.5	-66	0	0	111.3	I62 L65 L66 T84 G85 C86 T91 A92	I62-M88 HydrophobicContact CD1-CB 4.05Å; I62-M88 HydrophobicContact CD1-CG 3.97Å; I62-M88 HydrophobicContact CG2-SD 4.43Å; L65-M88 HydrophobicContact CD1-CG 4.09Å; L66-M88 HydrophobicContact CD2-SD 4.16Å; T84-M88 HydrophobicContact CG2-CE 4.09Å; T84-M88 HydrophobicContact CG2-CG 4.46Å; T84-M88 HydrophobicContact CG2-SD 4.46Å; T84-M88 WeakPolarHBondContact O-CB 3.35Å; T84-M88 VanDerWaalsContact O-CG 3.32Å; T84-M88 WeakPolarHBondContact O-CG 3.06Å; T84-M88 PolarHBondContact O-N 3.13Å; G85-M88 PolarHBondContact O-N 3.3Å; C86-M88 VanDerWaalsContact C-N 3.29Å; C86-M88 PolarHBondContact O-N 2.85Å; M88-T91 PolarHBondContact O-N 3.24Å; M88-A92 WeakPolarHBondContact O-CB 3.41Å; M88-A92 PolarHBondContact O-N 3.34Å
89	T	82.4	Confident	79	Confident	86 Å²	86	45.1 Å²	45.1	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-49.9	179.5	-56.7	0	0	0	0	111.3	G85 C86 T91 A92 V93	G85-T89 WeakPolarHBondContact O-CB 3.49Å; G85-T89 PolarHBondContact O-N 3.17Å; G85-T89 PolarHBondContact O-OG1 3.45Å; C86-T89 PolarHBondContact O-N 3.27Å; C86-T89 VanDerWaalsContact O-N 3.09Å; T89-T91 VanDerWaalsContact C-N 3.3Å; T89-T91 PolarHBondContact O-N 2.88Å; T89-A92 WeakPolarHBondContact O-CB 3.5Å; T89-A92 PolarHBondContact O-N 2.67Å; T89-A92 VanDerWaalsContact O-N 3.17Å; T89-V93 HydrophobicContact CG2-CG2 4.49Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 3.36Å
90	V	87.1	Confident	79.2	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-39.4	178.5	173.4	0	0	0	0	110.9	C86 V93 K94 F139 V144 I147	C86-V90 WeakPolarHBondContact O-CB 3.37Å; C86-V90 WeakPolarHBondContact O-CG2 3.27Å; C86-V90 PolarHBondContact O-N 3.41Å; V90-V93 PolarHBondContact O-N 3.09Å; V90-K94 WeakPolarHBondContact O-CB 3.35Å; V90-K94 WeakPolarHBondContact O-CG 3.33Å; V90-K94 PolarHBondContact O-N 3.4Å; V90-F139 HydrophobicContact CB-CZ 4.31Å; V90-F139 HydrophobicContact CG1-CE1 4.19Å; V90-F139 HydrophobicContact CG1-CE2 4.37Å; V90-F139 HydrophobicContact CG1-CZ 3.71Å; V90-F139 HydrophobicContact CG2-CZ 4.37Å; V90-V144 HydrophobicContact CB-CG1 4.12Å; V90-V144 HydrophobicContact CG1-CB 4.26Å; V90-V144 HydrophobicContact CG1-CG1 4.09Å; V90-V144 HydrophobicContact CG1-CG2 4.01Å; V90-I147 HydrophobicContact CG1-CB 4.06Å; V90-I147 HydrophobicContact CG1-CD1 3.46Å; V90-I147 VanDerWaalsContact CG1-CD1 3.46Å; V90-I147 HydrophobicContact CG1-CG1 4.35Å; V90-I147 HydrophobicContact CG1-CG2 4.05Å; V90-I147 HydrophobicContact CG2-CB 4.3Å; V90-I147 HydrophobicContact CG2-CG2 3.63Å
91	T	83.6	Confident	79.5	Confident	17 Å²	17	49.5 Å²	49.5	10%	0.104	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-44.5	174.4	-60.3	0	0	0	0	111.3	F58 I62 K87 M88 T89 K94 F95	F58-T91 HydrophobicContact CD2-CG2 4.19Å; F58-T91 HydrophobicContact CE2-CG2 4.33Å; I62-T91 HydrophobicContact CD1-CG2 4.15Å; K87-T91 VanDerWaalsContact O-CB 3.24Å; K87-T91 WeakPolarHBondContact O-CB 3.46Å; K87-T91 PolarHBondContact O-N 3.38Å; K87-T91 PolarHBondContact O-OG1 2.89Å; M88-T91 PolarHBondContact O-N 3.24Å; T89-T91 VanDerWaalsContact C-N 3.3Å; T89-T91 PolarHBondContact O-N 2.88Å; T91-K94 PolarHBondContact O-N 2.84Å; T91-F95 WeakPolarHBondContact O-CB 3.33Å; T91-F95 PolarHBondContact O-N 3.41Å
92	A	80.6	Confident	79.4	Confident	28 Å²	28	44 Å²	44	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-42.8	175.7	0	0	0	0	0	112	F58 M88 T89 F95 I96	F58-A92 HydrophobicContact CE2-CB 3.94Å; F58-A92 HydrophobicContact CZ-CB 4.34Å; M88-A92 WeakPolarHBondContact O-CB 3.41Å; M88-A92 PolarHBondContact O-N 3.34Å; T89-A92 WeakPolarHBondContact O-CB 3.5Å; T89-A92 PolarHBondContact O-N 2.67Å; T89-A92 VanDerWaalsContact O-N 3.17Å; A92-F95 WeakPolarHBondContact O-CB 3.46Å; A92-F95 PolarHBondContact O-N 2.93Å; A92-I96 WeakPolarHBondContact O-CB 3.41Å; A92-I96 VanDerWaalsContact O-CG1 3.26Å; A92-I96 WeakPolarHBondContact O-CG1 3.27Å; A92-I96 PolarHBondContact O-N 3.36Å
93	V	83.4	Confident	78.8	Confident	55 Å²	55	39.9 Å²	39.9	33%	0.333	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-46	176.9	174.9	0	0	0	0	110.7	T89 V90 F95 I96 L97 F139	T89-V93 HydrophobicContact CG2-CG2 4.49Å; T89-V93 WeakPolarHBondContact O-CG2 3.43Å; T89-V93 PolarHBondContact O-N 3.36Å; V90-V93 PolarHBondContact O-N 3.09Å; V93-F95 VanDerWaalsContact C-N 3.32Å; V93-F95 PolarHBondContact O-N 2.8Å; V93-I96 PolarHBondContact O-N 3.27Å; V93-L97 HydrophobicContact CG1-CD1 3.85Å; V93-L97 HydrophobicContact CG1-CG 4.17Å; V93-L97 WeakPolarHBondContact O-CB 3.17Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 2.03Å; V93-F139 HydrophobicContact CB-CE1 3.81Å; V93-F139 HydrophobicContact CB-CZ 3.89Å; V93-F139 HydrophobicContact CG1-CD1 4.23Å; V93-F139 HydrophobicContact CG1-CE1 3.41Å; V93-F139 VanDerWaalsContact CG1-CE1 3.41Å; V93-F139 HydrophobicContact CG1-CZ 3.63Å
94	K	84.2	Confident	78.2	Confident	29 Å²	29	45.8 Å²	45.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-45.3	175.5	-78.2	-179.1	166.4	-111	0	112.1	V90 T91 I96 L97 H98 F139 E140 S142 V144	V90-K94 WeakPolarHBondContact O-CB 3.35Å; V90-K94 WeakPolarHBondContact O-CG 3.33Å; V90-K94 PolarHBondContact O-N 3.4Å; T91-K94 PolarHBondContact O-N 2.84Å; K94-I96 VanDerWaalsContact C-N 3.32Å; K94-I96 PolarHBondContact O-N 2.9Å; K94-L97 PolarHBondContact O-N 3.46Å; K94-H98 PolarHBondContact O-CD2 3.23Å; K94-H98 PolarHBondContact O-N 2.78Å; K94-H98 VanDerWaalsContact O-N 3.13Å; K94-F139 HydrophobicContact CB-CE1 4.49Å; K94-F139 WeakPolarHBondContact CE-O 3.35Å; K94-F139 HydrophobicContact CG-CD1 3.81Å; K94-F139 HydrophobicContact CG-CE1 3.55Å; K94-F139 PolarHBondContact NZ-O 2.85Å; K94-E140 PolarHBondContact NZ-O 2.8Å; K94-S142 WeakPolarHBondContact CE-O 3.42Å; K94-S142 PolarHBondContact NZ-O 3.41Å; K94-V144 HydrophobicContact CD-CG2 3.9Å
95	F	79.2	Confident	78	Confident	20 Å²	20	51.8 Å²	51.8	9%	0.088	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-45.8	176.4	168.3	-93.4	0	0	0	111.7	C38 L42 S54 F58 T91 A92 V93 H98	C38-F95 WeakPolarHBondContact SG-CZ 3.12Å; L42-F95 HydrophobicContact CD1-CZ 3.78Å; L42-F95 HydrophobicContact CD2-CE1 3.9Å; L42-F95 HydrophobicContact CD2-CZ 3.77Å; L42-F95 HydrophobicContact CG-CE1 4.36Å; L42-F95 HydrophobicContact CG-CZ 3.91Å; S54-F95 VanDerWaalsContact C-CE2 3.48Å; S54-F95 WeakPolarHBondContact O-CE2 3.29Å; S54-F95 WeakPolarHBondContact OG-CD2 3.38Å; S54-F95 WeakPolarHBondContact OG-CE2 3.49Å; F58-F95 HydrophobicContact CB-CD2 3.67Å; F58-F95 HydrophobicContact CB-CE2 3.95Å; F58-F95 HydrophobicContact CB-CG 4.17Å; F58-F95 HydrophobicContact CD2-CB 3.93Å; F58-F95 HydrophobicContact CD2-CD1 4.47Å; F58-F95 HydrophobicContact CD2-CD2 4.34Å; F58-F95 AromaticContact CD2-CG 3.99Å; F58-F95 HydrophobicContact CD2-CG 3.99Å; F58-F95 HydrophobicContact CG-CD2 4.19Å; F58-F95 HydrophobicContact CG-CG 4.21Å; T91-F95 WeakPolarHBondContact O-CB 3.33Å; T91-F95 PolarHBondContact O-N 3.41Å; A92-F95 WeakPolarHBondContact O-CB 3.46Å; A92-F95 PolarHBondContact O-N 2.93Å; V93-F95 VanDerWaalsContact C-N 3.32Å; V93-F95 PolarHBondContact O-N 2.8Å; F95-H98 PolarHBondContact O-N 2.86Å
96	I	75.9	Confident	77.8	Confident	71 Å²	71	53.2 Å²	53.2	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-40.3	177.6	-71	169.1	0	0	0	111.3	A92 V93 K94 H98 L99 V102	A92-I96 WeakPolarHBondContact O-CB 3.41Å; A92-I96 VanDerWaalsContact O-CG1 3.26Å; A92-I96 WeakPolarHBondContact O-CG1 3.27Å; A92-I96 PolarHBondContact O-N 3.36Å; V93-I96 PolarHBondContact O-N 3.27Å; K94-I96 VanDerWaalsContact C-N 3.32Å; K94-I96 PolarHBondContact O-N 2.9Å; I96-H98 VanDerWaalsContact C-N 3.28Å; I96-H98 PolarHBondContact O-N 2.83Å; I96-L99 VanDerWaalsContact O-CB 3.23Å; I96-L99 WeakPolarHBondContact O-CB 2.97Å; I96-L99 WeakPolarHBondContact O-CG 3.04Å; I96-L99 PolarHBondContact O-N 3.47Å; I96-V102 HydrophobicContact CG2-CB 4.16Å; I96-V102 HydrophobicContact CG2-CG1 3.59Å; I96-V102 HydrophobicContact CG2-CG2 3.9Å
97	L	78.5	Confident	77.3	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-30.5	179.4	-73.9	173.4	0	0	0	113.1	V93 K94 L99 I106 I136 F139 E140	V93-L97 HydrophobicContact CG1-CD1 3.85Å; V93-L97 HydrophobicContact CG1-CG 4.17Å; V93-L97 WeakPolarHBondContact O-CB 3.17Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 2.03Å; K94-L97 PolarHBondContact O-N 3.46Å; L97-L99 PolarHBondContact O-N 2.82Å; L97-I106 HydrophobicContact CD2-CD1 3.24Å; L97-I136 HydrophobicContact CD1-CG2 4.4Å; L97-I136 HydrophobicContact CD2-CD1 4.27Å; L97-I136 HydrophobicContact CD2-CG1 4.03Å; L97-I136 HydrophobicContact CD2-CG2 4.1Å; L97-F139 HydrophobicContact CD1-CB 4.43Å; L97-F139 HydrophobicContact CD1-CD1 3.46Å; L97-F139 VanDerWaalsContact CD1-CD1 3.46Å; L97-F139 HydrophobicContact CD1-CE1 3.99Å; L97-F139 HydrophobicContact CD1-CG 4.21Å; L97-E140 HydrophobicContact CB-CG 4.47Å
98	H	74.9	Confident	77.1	Confident	104 Å²	104	58.1 Å²	58.1	48%	0.481	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.5	174	-69.7	-41.8	0	0	0	113.9	K94 F95 I96 S100 E140	K94-H98 PolarHBondContact O-CD2 3.23Å; K94-H98 PolarHBondContact O-N 2.78Å; K94-H98 VanDerWaalsContact O-N 3.13Å; F95-H98 PolarHBondContact O-N 2.86Å; I96-H98 VanDerWaalsContact C-N 3.28Å; I96-H98 PolarHBondContact O-N 2.83Å; H98-S100 PolarHBondContact O-N 3.23Å; H98-E140 IonicContact CE1-OE1 2.85Å; H98-E140 PolarHBondContact CE1-OE1 3.46Å; H98-E140 VanDerWaalsContact CE1-OE1 3.3Å; H98-E140 IonicContact CG-OE1 3.42Å; H98-E140 IonicContact ND1-OE1 3.58Å; H98-E140 PolarHBondContact ND1-OE1 2.79Å
99	L	72.9	Confident	77.2	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-81.5	110.9	170.1	-52	172.5	0	0	0	108.1	L42 F45 I96 L97 E101 V102	L42-L99 HydrophobicContact CD1-CD2 4.5Å; L42-L99 HydrophobicContact CD2-CD1 3.24Å; L42-L99 HydrophobicContact CD2-CD2 3.43Å; L42-L99 VanDerWaalsContact CD2-CD2 3.43Å; L42-L99 HydrophobicContact CD2-CG 3.93Å; F45-L99 HydrophobicContact CB-CD1 4.39Å; I96-L99 VanDerWaalsContact O-CB 3.23Å; I96-L99 WeakPolarHBondContact O-CB 2.97Å; I96-L99 WeakPolarHBondContact O-CG 3.04Å; I96-L99 PolarHBondContact O-N 3.47Å; L97-L99 PolarHBondContact O-N 2.82Å; L99-E101 PolarHBondContact O-N 3.05Å; L99-V102 HydrophobicContact CB-CG2 3.83Å; L99-V102 HydrophobicContact CD1-CG2 4.22Å; L99-V102 PolarHBondContact O-N 3.38Å
100	S	65.1	Low	77.2	Confident	99 Å²	99	59.7 Å²	59.7	69%	0.692	30%	0.296	S	S	*	.	H	α-helix	trans	-53.5	-27.6	-172.8	50.3	0	0	0	0	114.6	H98	H98-S100 PolarHBondContact O-N 3.23Å
101	E	68.9	Low	77	Confident	89 Å²	89	61.7 Å²	61.7	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-75	-26.8	179	-59.7	-170.3	-177.1	0	0	112.5	F45 L99 Y104 Y105	F45-E101 VanDerWaalsContact O-OE2 3.13Å; L99-E101 PolarHBondContact O-N 3.05Å; E101-Y104 WeakPolarHBondContact O-CB 2.97Å; E101-Y104 PolarHBondContact O-N 3.28Å; E101-Y105 HydrophobicContact CB-CE2 4.39Å; E101-Y105 WeakPolarHBondContact O-CD2 3.4Å; E101-Y105 PolarHBondContact O-N 3.13Å
102	V	72.5	Confident	77.1	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-74.5	-36.8	-173.9	-179.5	0	0	0	0	111.9	F45 I96 L99 Y104 Y105 I106	F45-V102 HydrophobicContact CD1-CG2 4.38Å; I96-V102 HydrophobicContact CG2-CB 4.16Å; I96-V102 HydrophobicContact CG2-CG1 3.59Å; I96-V102 HydrophobicContact CG2-CG2 3.9Å; L99-V102 HydrophobicContact CB-CG2 3.83Å; L99-V102 HydrophobicContact CD1-CG2 4.22Å; L99-V102 PolarHBondContact O-N 3.38Å; V102-Y104 PolarHBondContact O-N 2.8Å; V102-Y105 PolarHBondContact O-N 2.79Å; V102-Y105 VanDerWaalsContact O-N 3.09Å; V102-I106 HydrophobicContact CG1-CD1 3.73Å; V102-I106 HydrophobicContact CG1-CG1 4.06Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 2.95Å
103	T	69.6	Low	77.4	Confident	40 Å²	40	68.1 Å²	68.1	25%	0.245	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-39.7	174.1	-53.1	0	0	0	0	111.8	I106 N107 I136	T103-I106 PolarHBondContact O-N 3.48Å; T103-N107 VanDerWaalsContact O-CG 3.23Å; T103-N107 PolarHBondContact O-N 3.46Å; T103-N107 PolarHBondContact O-ND2 3Å; T103-I136 HydrophobicContact CG2-CD1 3.69Å
104	Y	70.7	Confident	77.7	Confident	141 Å²	141	65.5 Å²	65.5	55%	0.553	32%	0.317	S	S	*	.	H	α-helix	trans	-63.5	-46.9	176.1	174.8	-96.4	0	0	0	111.9	E101 V102 I106 N107 K108	E101-Y104 WeakPolarHBondContact O-CB 2.97Å; E101-Y104 PolarHBondContact O-N 3.28Å; V102-Y104 PolarHBondContact O-N 2.8Å; Y104-I106 VanDerWaalsContact C-N 3.34Å; Y104-I106 PolarHBondContact O-N 3.14Å; Y104-N107 PolarHBondContact O-N 2.73Å; Y104-K108 HydrophobicContact CE1-CD 4.41Å; Y104-K108 WeakPolarHBondContact O-CB 3.26Å; Y104-K108 PolarHBondContact O-N 3.44Å
105	Y	75.3	Confident	77.9	Confident	131 Å²	131	69.7 Å²	69.7	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-36.6	178.3	-70.2	-67.8	0	0	0	112.7	E101 V102 K108 F109	E101-Y105 HydrophobicContact CB-CE2 4.39Å; E101-Y105 WeakPolarHBondContact O-CD2 3.4Å; E101-Y105 PolarHBondContact O-N 3.13Å; V102-Y105 PolarHBondContact O-N 2.79Å; V102-Y105 VanDerWaalsContact O-N 3.09Å; Y105-K108 PolarHBondContact O-N 3.03Å; Y105-F109 WeakPolarHBondContact O-CB 3.47Å; Y105-F109 PolarHBondContact O-N 3.47Å
106	I	77.5	Confident	78.3	Confident	51 Å²	51	76.8 Å²	76.8	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-49.1	175.7	-70.3	169.7	0	0	0	110.5	L97 V102 T103 Y104 K108 F109 I110 I136	L97-I106 HydrophobicContact CD2-CD1 3.24Å; V102-I106 HydrophobicContact CG1-CD1 3.73Å; V102-I106 HydrophobicContact CG1-CG1 4.06Å; V102-I106 WeakPolarHBondContact O-CG1 3.41Å; V102-I106 PolarHBondContact O-N 2.95Å; T103-I106 PolarHBondContact O-N 3.48Å; Y104-I106 VanDerWaalsContact C-N 3.34Å; Y104-I106 PolarHBondContact O-N 3.14Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.41Å; I106-F109 PolarHBondContact O-N 3.04Å; I106-F109 VanDerWaalsContact O-N 3.17Å; I106-I110 HydrophobicContact CG2-CD1 3.73Å; I106-I110 HydrophobicContact CG2-CG1 4.38Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.13Å; I106-I136 HydrophobicContact CD1-CD1 4.49Å; I106-I136 HydrophobicContact CG2-CD1 4.18Å
107	N	76.2	Confident	78.9	Confident	46 Å²	46	75.7 Å²	75.7	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-45.3	178.7	-70.2	-14.9	0	0	0	111.1	T103 Y104 F109 I110 D111 A132	T103-N107 VanDerWaalsContact O-CG 3.23Å; T103-N107 PolarHBondContact O-N 3.46Å; T103-N107 PolarHBondContact O-ND2 3Å; Y104-N107 PolarHBondContact O-N 2.73Å; N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 3.47Å; N107-I110 PolarHBondContact O-N 3.46Å; N107-D111 WeakPolarHBondContact O-CB 3.18Å; N107-D111 PolarHBondContact O-N 2.59Å; N107-A132 WeakPolarHBondContact OD1-CB 3.48Å
108	K	80.1	Confident	79.4	Confident	103 Å²	103	77.3 Å²	77.3	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-39.7	177.7	-172.5	175.3	-177.6	175.7	0	112.4	Y104 Y105 I106 D111 Q112	Y104-K108 HydrophobicContact CE1-CD 4.41Å; Y104-K108 WeakPolarHBondContact O-CB 3.26Å; Y104-K108 PolarHBondContact O-N 3.44Å; Y105-K108 PolarHBondContact O-N 3.03Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 3.41Å; K108-D111 PolarHBondContact O-N 3.4Å; K108-Q112 VanDerWaalsContact O-CG 3.29Å; K108-Q112 WeakPolarHBondContact O-CG 3.1Å; K108-Q112 PolarHBondContact O-N 3.03Å
109	F	83.4	Confident	80.2	Confident	123 Å²	123	77.7 Å²	77.7	54%	0.539	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-44.5	177.5	-178.8	-103.6	0	0	0	111.7	Y105 I106 N107 D111 Q112 L113	Y105-F109 WeakPolarHBondContact O-CB 3.47Å; Y105-F109 PolarHBondContact O-N 3.47Å; I106-F109 PolarHBondContact O-N 3.04Å; I106-F109 VanDerWaalsContact O-N 3.17Å; N107-F109 VanDerWaalsContact C-N 3.34Å; N107-F109 PolarHBondContact O-N 3.47Å; F109-D111 VanDerWaalsContact C-N 3.32Å; F109-D111 PolarHBondContact O-N 3.47Å; F109-Q112 WeakPolarHBondContact O-CB 3.39Å; F109-Q112 PolarHBondContact O-N 3.46Å; F109-L113 HydrophobicContact CD1-CD1 4.19Å; F109-L113 HydrophobicContact CE1-CD1 3.72Å; F109-L113 HydrophobicContact CE1-CG 4.25Å; F109-L113 HydrophobicContact CZ-CD1 4.23Å; F109-L113 HydrophobicContact CZ-CD2 4.29Å; F109-L113 HydrophobicContact CZ-CG 4.4Å; F109-L113 WeakPolarHBondContact O-CG 3.17Å; F109-L113 PolarHBondContact O-N 3.42Å; F109-L113 VanDerWaalsContact O-N 3.11Å
110	I	82	Confident	81	Confident	55 Å²	55	84.2 Å²	84.2	28%	0.282	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-43.2	176.3	-62.2	168.1	0	0	0	110.2	I106 N107 Q112 L113 C114 A128 A132	I106-I110 HydrophobicContact CG2-CD1 3.73Å; I106-I110 HydrophobicContact CG2-CG1 4.38Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.13Å; N107-I110 PolarHBondContact O-N 3.46Å; I110-Q112 VanDerWaalsContact C-N 3.33Å; I110-Q112 PolarHBondContact O-N 3.23Å; I110-L113 WeakPolarHBondContact O-CB 3.23Å; I110-L113 PolarHBondContact O-N 2.93Å; I110-L113 VanDerWaalsContact O-N 3.13Å; I110-C114 PolarHBondContact O-N 3.46Å; I110-A128 HydrophobicContact CB-CB 4.24Å; I110-A128 HydrophobicContact CG2-CB 3.55Å; I110-A132 HydrophobicContact CD1-CB 3.75Å
111	D	83.6	Confident	82.1	Confident	51 Å²	51	83.3 Å²	83.3	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-39	175.9	-169.7	78	0	0	0	111.9	N107 K108 F109 L113 C114 S125 A128 Q129	N107-D111 WeakPolarHBondContact O-CB 3.18Å; N107-D111 PolarHBondContact O-N 2.59Å; K108-D111 PolarHBondContact O-N 3.4Å; F109-D111 VanDerWaalsContact C-N 3.32Å; F109-D111 PolarHBondContact O-N 3.47Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.45Å; D111-C114 WeakPolarHBondContact O-CB 3.33Å; D111-C114 PolarHBondContact O-N 3.07Å; D111-C114 VanDerWaalsContact O-N 3.1Å; D111-S125 WeakPolarHBondContact OD1-CB 3.1Å; D111-A128 HydrophobicContact CB-CB 4.47Å; D111-Q129 PolarHBondContact OD1-NE2 3.47Å
112	Q	85.2	Confident	83.1	Confident	102 Å²	102	82.7 Å²	82.7	48%	0.477	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-34.4	173.9	-76.6	176.1	-22.5	0	0	113.3	K108 F109 I110 C114 I115	K108-Q112 VanDerWaalsContact O-CG 3.29Å; K108-Q112 WeakPolarHBondContact O-CG 3.1Å; K108-Q112 PolarHBondContact O-N 3.03Å; F109-Q112 WeakPolarHBondContact O-CB 3.39Å; F109-Q112 PolarHBondContact O-N 3.46Å; I110-Q112 VanDerWaalsContact C-N 3.33Å; I110-Q112 PolarHBondContact O-N 3.23Å; Q112-C114 PolarHBondContact O-N 3.38Å; Q112-I115 WeakPolarHBondContact O-CG1 3.32Å; Q112-I115 PolarHBondContact O-N 3.37Å
113	L	87.2	Confident	83.9	Confident	78 Å²	78	86.9 Å²	86.9	41%	0.408	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-21.3	175.6	-65.6	177.4	0	0	0	112.2	F109 I110 D111 I115 F116	F109-L113 HydrophobicContact CD1-CD1 4.19Å; F109-L113 HydrophobicContact CE1-CD1 3.72Å; F109-L113 HydrophobicContact CE1-CG 4.25Å; F109-L113 HydrophobicContact CZ-CD1 4.23Å; F109-L113 HydrophobicContact CZ-CD2 4.29Å; F109-L113 HydrophobicContact CZ-CG 4.4Å; F109-L113 WeakPolarHBondContact O-CG 3.17Å; F109-L113 PolarHBondContact O-N 3.42Å; F109-L113 VanDerWaalsContact O-N 3.11Å; I110-L113 WeakPolarHBondContact O-CB 3.23Å; I110-L113 PolarHBondContact O-N 2.93Å; I110-L113 VanDerWaalsContact O-N 3.13Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.45Å; L113-I115 PolarHBondContact O-N 2.95Å; L113-F116 HydrophobicContact CD2-CD2 4.22Å; L113-F116 HydrophobicContact CD2-CE2 4.08Å; L113-F116 WeakPolarHBondContact O-CB 3.33Å; L113-F116 WeakPolarHBondContact O-CD2 2.97Å; L113-F116 PolarHBondContact O-N 2.94Å; L113-F116 VanDerWaalsContact O-N 3.07Å
114	C	88.3	Confident	84.9	Confident	0 Å²	0	86.6 Å²	86.6	0%	0	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-65.4	-15.3	176.4	-64.5	0	0	0	0	114.1	I110 D111 Q112 F116 T117 C124 S125	I110-C114 PolarHBondContact O-N 3.46Å; D111-C114 WeakPolarHBondContact O-CB 3.33Å; D111-C114 PolarHBondContact O-N 3.07Å; D111-C114 VanDerWaalsContact O-N 3.1Å; Q112-C114 PolarHBondContact O-N 3.38Å; C114-F116 PolarHBondContact O-N 3.17Å; C114-T117 PolarHBondContact O-N 3.49Å; C114-T117 PolarHBondContact O-OG1 2.96Å; C114-C124 WeakPolarHBondContact CA-SG 3.29Å; C114-C124 HydrophobicContact CB-CB 3.49Å; C114-C124 VanDerWaalsContact CB-CB 3.49Å; C114-C124 WeakPolarHBondContact CB-SG 3.39Å; C114-C124 WeakPolarHBondContact SG-CB 3.27Å; C114-C124 PolarHBondContact SG-O 2.9Å; C114-C124 VanDerWaalsContact SG-O 3.35Å; C114-C124 CovalentContact SG-SG 2.04Å; C114-C124 PolarHBondContact SG-SG 3.27Å; C114-S125 PolarHBondContact SG-N 2.98Å; C114-S125 VanDerWaalsContact SG-N 3.43Å
115	I	89	Confident	85.7	Confident	116 Å²	116	80.8 Å²	80.8	60%	0.595	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-62.2	-30.2	172.3	-62.8	170.8	0	0	0	110.9	Q112 L113 T117	Q112-I115 WeakPolarHBondContact O-CG1 3.32Å; Q112-I115 PolarHBondContact O-N 3.37Å; L113-I115 PolarHBondContact O-N 2.95Å; I115-T117 VanDerWaalsContact C-N 3.27Å; I115-T117 PolarHBondContact O-N 2.04Å
116	F	87.4	Confident	86.3	Confident	169 Å²	169	80.2 Å²	80.2	74%	0.741	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-77.3	-9	-179.7	-60.4	-67	0	0	0	113.8	L113 C114 G118	L113-F116 HydrophobicContact CD2-CD2 4.22Å; L113-F116 HydrophobicContact CD2-CE2 4.08Å; L113-F116 WeakPolarHBondContact O-CB 3.33Å; L113-F116 WeakPolarHBondContact O-CD2 2.97Å; L113-F116 PolarHBondContact O-N 2.94Å; L113-F116 VanDerWaalsContact O-N 3.07Å; C114-F116 PolarHBondContact O-N 3.17Å; F116-G118 VanDerWaalsContact C-N 3.27Å; F116-G118 PolarHBondContact O-N 3.32Å
117	T	88.3	Confident	86.6	Confident	49 Å²	49	81.4 Å²	81.4	30%	0.301	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-85.4	1.3	-179.7	65.2	0	0	0	0	113.4	C114 I115 P119 Y120 L121 C124	C114-T117 PolarHBondContact O-N 3.49Å; C114-T117 PolarHBondContact O-OG1 2.96Å; I115-T117 VanDerWaalsContact C-N 3.27Å; I115-T117 PolarHBondContact O-N 2.04Å; T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.37Å; T117-Y120 PolarHBondContact O-N 3.49Å; T117-Y120 PolarHBondContact OG1-O 3.37Å; T117-L121 PolarHBondContact OG1-N 3.41Å; T117-C124 HydrophobicContact CG2-CB 4.04Å
118	G	88.9	Confident	87	Confident	44 Å²	44	79.4 Å²	79.4	45%	0.454	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	57.9	-116.4	175.9	0	0	0	0	0	112.3	F116 Y120 L121	F116-G118 VanDerWaalsContact C-N 3.27Å; F116-G118 PolarHBondContact O-N 3.32Å; G118-Y120 PolarHBondContact O-N 3.11Å; G118-L121 WeakPolarHBondContact O-CB 3.06Å; G118-L121 PolarHBondContact O-N 3.22Å
119	P	92	Very high	87.1	Confident	112 Å²	112	80.4 Å²	80.4	73%	0.727	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.5	-20.6	-177.9	27.9	-35.4	0	0	0	114	T117 L121	T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-L121 VanDerWaalsContact C-N 3.28Å; P119-L121 PolarHBondContact O-N 3.13Å
120	Y	89.9	Confident	87	Confident	156 Å²	156	78.7 Å²	78.7	61%	0.612	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-89.1	14.2	-179.7	-56.3	-71.3	0	0	0	113.8	T117 G118 S122 E123 C124	T117-Y120 PolarHBondContact O-N 3.49Å; T117-Y120 PolarHBondContact OG1-O 3.37Å; G118-Y120 PolarHBondContact O-N 3.11Å; Y120-S122 VanDerWaalsContact C-N 3.27Å; Y120-S122 PolarHBondContact O-N 3.18Å; Y120-E123 WeakPolarHBondContact CA-OE2 3.41Å; Y120-E123 PolarHBondContact O-N 3.21Å; Y120-C124 WeakPolarHBondContact O-CB 3.03Å; Y120-C124 PolarHBondContact O-N 2.81Å
121	L	88.3	Confident	87.1	Confident	80 Å²	80	81.9 Å²	81.9	42%	0.419	43%	0.425	S	S	.	.	H	α-helix	trans	-53.8	-44.2	-176.3	-178.9	155	0	0	0	111.9	T117 G118 P119 S125	T117-L121 PolarHBondContact OG1-N 3.41Å; G118-L121 WeakPolarHBondContact O-CB 3.06Å; G118-L121 PolarHBondContact O-N 3.22Å; P119-L121 VanDerWaalsContact C-N 3.28Å; P119-L121 PolarHBondContact O-N 3.13Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 3.38Å; L121-S125 PolarHBondContact O-OG 3.36Å
122	S	89.7	Confident	86.7	Confident	76 Å²	76	79.7 Å²	79.7	53%	0.531	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-46.5	179.5	31.5	0	0	0	0	112.6	Y120 S125 F126	Y120-S122 VanDerWaalsContact C-N 3.27Å; Y120-S122 PolarHBondContact O-N 3.18Å; S122-S125 PolarHBondContact O-N 2.81Å; S122-F126 WeakPolarHBondContact O-CB 3.46Å; S122-F126 PolarHBondContact O-N 2.83Å
123	E	90.2	Very high	86.3	Confident	102 Å²	102	76.6 Å²	76.6	48%	0.477	41%	0.409	S	S	.	.	H	α-helix	trans	-68.1	-42.5	-178.9	-67.2	85.9	159.6	0	0	110.5	Y120 F126 V127	Y120-E123 WeakPolarHBondContact CA-OE2 3.41Å; Y120-E123 PolarHBondContact O-N 3.21Å; E123-F126 PolarHBondContact O-N 2.93Å; E123-V127 VanDerWaalsContact O-CG2 3.3Å; E123-V127 WeakPolarHBondContact O-CG2 3.38Å; E123-V127 PolarHBondContact O-N 3.04Å
124	C	89.2	Confident	86	Confident	33 Å²	33	76.9 Å²	76.9	22%	0.223	41%	0.41	C	S	.	.	H	α-helix	trans	-61.8	-46.5	174.2	-179.1	0	0	0	0	111.1	C114 T117 Y120 F126 V127 A128	C114-C124 WeakPolarHBondContact CA-SG 3.29Å; C114-C124 HydrophobicContact CB-CB 3.49Å; C114-C124 VanDerWaalsContact CB-CB 3.49Å; C114-C124 WeakPolarHBondContact CB-SG 3.39Å; C114-C124 WeakPolarHBondContact SG-CB 3.27Å; C114-C124 PolarHBondContact SG-O 2.9Å; C114-C124 VanDerWaalsContact SG-O 3.35Å; C114-C124 CovalentContact SG-SG 2.04Å; C114-C124 PolarHBondContact SG-SG 3.27Å; T117-C124 HydrophobicContact CG2-CB 4.04Å; Y120-C124 WeakPolarHBondContact O-CB 3.03Å; Y120-C124 PolarHBondContact O-N 2.81Å; C124-F126 VanDerWaalsContact C-N 3.31Å; C124-F126 PolarHBondContact O-N 3.5Å; C124-V127 CarbonylContact O-C 3.6Å; C124-V127 PolarHBondContact O-N 3.5Å; C124-V127 VanDerWaalsContact O-N 3.13Å; C124-A128 WeakPolarHBondContact O-CB 3.45Å; C124-A128 PolarHBondContact O-N 3.32Å
125	S	88.2	Confident	85.4	Confident	20 Å²	20	82.3 Å²	82.3	14%	0.14	44%	0.439	C	S	.	.	H	α-helix	trans	-62	-41.5	179.2	-53.6	0	0	0	0	110.9	D111 C114 L121 S122 V127 A128 Q129	D111-S125 WeakPolarHBondContact OD1-CB 3.1Å; C114-S125 PolarHBondContact SG-N 2.98Å; C114-S125 VanDerWaalsContact SG-N 3.43Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 3.38Å; L121-S125 PolarHBondContact O-OG 3.36Å; S122-S125 PolarHBondContact O-N 2.81Å; S125-V127 PolarHBondContact O-N 3.22Å; S125-A128 PolarHBondContact O-N 2.92Å; S125-Q129 WeakPolarHBondContact O-CB 3.24Å; S125-Q129 WeakPolarHBondContact O-CG 3.44Å; S125-Q129 PolarHBondContact O-N 2.96Å
126	F	87.2	Confident	85	Confident	119 Å²	119	77.6 Å²	77.6	52%	0.522	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-46	173.5	180	-93.1	0	0	0	111.5	S122 E123 C124 N130 Y131	S122-F126 WeakPolarHBondContact O-CB 3.46Å; S122-F126 PolarHBondContact O-N 2.83Å; E123-F126 PolarHBondContact O-N 2.93Å; C124-F126 VanDerWaalsContact C-N 3.31Å; C124-F126 PolarHBondContact O-N 3.5Å; F126-N130 WeakPolarHBondContact CD2-ND2 3.21Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.02Å; F126-N130 WeakPolarHBondContact O-CB 3.37Å; F126-N130 PolarHBondContact O-N 2.69Å; F126-N130 PolarHBondContact O-ND2 3.2Å; F126-Y131 HydrophobicContact CE1-CE2 4.41Å
127	V	84.9	Confident	84.7	Confident	76 Å²	76	73.6 Å²	73.6	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-46.3	177.7	172	0	0	0	0	111	E123 C124 S125 Q129 N130 Y131	E123-V127 VanDerWaalsContact O-CG2 3.3Å; E123-V127 WeakPolarHBondContact O-CG2 3.38Å; E123-V127 PolarHBondContact O-N 3.04Å; C124-V127 CarbonylContact O-C 3.6Å; C124-V127 PolarHBondContact O-N 3.5Å; C124-V127 VanDerWaalsContact O-N 3.13Å; S125-V127 PolarHBondContact O-N 3.22Å; V127-Q129 PolarHBondContact O-N 2.7Å; V127-N130 PolarHBondContact O-N 3.44Å; V127-Y131 HydrophobicContact CB-CD2 4.41Å; V127-Y131 HydrophobicContact CG1-CD2 4.16Å; V127-Y131 HydrophobicContact CG1-CG 4.43Å; V127-Y131 WeakPolarHBondContact O-CA 3.28Å; V127-Y131 VanDerWaalsContact O-CB 3.27Å; V127-Y131 WeakPolarHBondContact O-CB 3.28Å; V127-Y131 PolarHBondContact O-N 2.88Å
128	A	83.9	Confident	84.4	Confident	4 Å²	4	75.7 Å²	75.7	3%	0.033	41%	0.409	C	S	.	.	H	α-helix	trans	-56.6	-49.1	178.3	0	0	0	0	0	111.3	I110 D111 C124 S125 N130 A132	I110-A128 HydrophobicContact CB-CB 4.24Å; I110-A128 HydrophobicContact CG2-CB 3.55Å; D111-A128 HydrophobicContact CB-CB 4.47Å; C124-A128 WeakPolarHBondContact O-CB 3.45Å; C124-A128 PolarHBondContact O-N 3.32Å; S125-A128 PolarHBondContact O-N 2.92Å; A128-N130 PolarHBondContact O-N 3.2Å; A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 2.94Å
129	Q	81.7	Confident	84.1	Confident	124 Å²	124	76 Å²	76	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-70.4	-33.5	-176.3	-68.4	171.2	20	0	0	113.1	D111 S125 V127	D111-Q129 PolarHBondContact OD1-NE2 3.47Å; S125-Q129 WeakPolarHBondContact O-CB 3.24Å; S125-Q129 WeakPolarHBondContact O-CG 3.44Å; S125-Q129 PolarHBondContact O-N 2.96Å; V127-Q129 PolarHBondContact O-N 2.7Å
130	N	83.2	Confident	83.7	Confident	87 Å²	87	73.2 Å²	73.2	47%	0.465	38%	0.375	S	S	.	.	H	α-helix	trans	-97.6	-26.8	-174.7	-68.5	-82.9	0	0	0	114.1	F126 V127 A128	F126-N130 WeakPolarHBondContact CD2-ND2 3.21Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.02Å; F126-N130 WeakPolarHBondContact O-CB 3.37Å; F126-N130 PolarHBondContact O-N 2.69Å; F126-N130 PolarHBondContact O-ND2 3.2Å; V127-N130 PolarHBondContact O-N 3.44Å; A128-N130 PolarHBondContact O-N 3.2Å
131	Y	82.7	Confident	83.5	Confident	122 Å²	122	71.4 Å²	71.4	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-111.8	-17.8	-173.1	-66.1	-99.5	0	0	0	114.2	F126 V127 G133 I134 L135	F126-Y131 HydrophobicContact CE1-CE2 4.41Å; V127-Y131 HydrophobicContact CB-CD2 4.41Å; V127-Y131 HydrophobicContact CG1-CD2 4.16Å; V127-Y131 HydrophobicContact CG1-CG 4.43Å; V127-Y131 WeakPolarHBondContact O-CA 3.28Å; V127-Y131 VanDerWaalsContact O-CB 3.27Å; V127-Y131 WeakPolarHBondContact O-CB 3.28Å; V127-Y131 PolarHBondContact O-N 2.88Å; Y131-G133 VanDerWaalsContact C-N 3.25Å; Y131-G133 PolarHBondContact O-N 3.31Å; Y131-I134 HydrophobicContact CD1-CD1 3.71Å; Y131-I134 HydrophobicContact CE1-CD1 4.18Å; Y131-I134 HydrophobicContact CG-CD1 4.3Å; Y131-I134 WeakPolarHBondContact O-CA 3.49Å; Y131-I134 WeakPolarHBondContact O-CB 3.38Å; Y131-I134 PolarHBondContact O-N 3.1Å; Y131-L135 PolarHBondContact O-N 3.38Å
132	A	75	Confident	83.4	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-38.9	175.7	0	0	0	0	0	111.8	N107 I110 A128 I134 L135 I136	N107-A132 WeakPolarHBondContact OD1-CB 3.48Å; I110-A132 HydrophobicContact CD1-CB 3.75Å; A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 2.94Å; A132-I134 VanDerWaalsContact C-N 3.28Å; A132-I134 PolarHBondContact O-N 3.4Å; A132-L135 PolarHBondContact O-N 3.3Å; A132-I136 WeakPolarHBondContact O-CG1 3.33Å; A132-I136 PolarHBondContact O-N 3.17Å
133	G	78	Confident	83.3	Confident	38 Å²	38	69 Å²	69	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-35.3	172.2	0	0	0	0	0	113.2	Y131 N137	Y131-G133 VanDerWaalsContact C-N 3.25Å; Y131-G133 PolarHBondContact O-N 3.31Å; G133-N137 VanDerWaalsContact O-CB 3.24Å; G133-N137 WeakPolarHBondContact O-CB 3.44Å; G133-N137 PolarHBondContact O-N 3.07Å
134	I	80.2	Confident	83.1	Confident	83 Å²	83	65.3 Å²	65.3	43%	0.426	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-44.1	175	-60.5	174.9	0	0	0	110.2	Y131 A132 N137 I138	Y131-I134 HydrophobicContact CD1-CD1 3.71Å; Y131-I134 HydrophobicContact CE1-CD1 4.18Å; Y131-I134 HydrophobicContact CG-CD1 4.3Å; Y131-I134 WeakPolarHBondContact O-CA 3.49Å; Y131-I134 WeakPolarHBondContact O-CB 3.38Å; Y131-I134 PolarHBondContact O-N 3.1Å; A132-I134 VanDerWaalsContact C-N 3.28Å; A132-I134 PolarHBondContact O-N 3.4Å; I134-N137 PolarHBondContact O-N 2.8Å; I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 VanDerWaalsContact O-CG1 3.28Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 3.39Å
135	L	76.4	Confident	82.8	Confident	115 Å²	115	66.4 Å²	66.4	60%	0.602	35%	0.354	S	S	*	.	H	α-helix	trans	-62.5	-43.4	177.1	-67.5	175.7	0	0	0	111.8	Y131 A132 I138 F139	Y131-L135 PolarHBondContact O-N 3.38Å; A132-L135 PolarHBondContact O-N 3.3Å; L135-I138 PolarHBondContact O-N 2.93Å; L135-F139 WeakPolarHBondContact O-CB 3.49Å; L135-F139 PolarHBondContact O-N 3.13Å
136	I	79.6	Confident	82.8	Confident	16 Å²	16	69.7 Å²	69.7	8%	0.082	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-46.8	174.6	-68.8	169.3	0	0	0	109.9	L97 T103 I106 A132 I138 F139 E140	L97-I136 HydrophobicContact CD1-CG2 4.4Å; L97-I136 HydrophobicContact CD2-CD1 4.27Å; L97-I136 HydrophobicContact CD2-CG1 4.03Å; L97-I136 HydrophobicContact CD2-CG2 4.1Å; T103-I136 HydrophobicContact CG2-CD1 3.69Å; I106-I136 HydrophobicContact CD1-CD1 4.49Å; I106-I136 HydrophobicContact CG2-CD1 4.18Å; A132-I136 WeakPolarHBondContact O-CG1 3.33Å; A132-I136 PolarHBondContact O-N 3.17Å; I136-I138 PolarHBondContact O-N 3.43Å; I136-F139 WeakPolarHBondContact O-CB 3.42Å; I136-F139 PolarHBondContact O-N 3.04Å; I136-F139 VanDerWaalsContact O-N 3.13Å; I136-E140 HydrophobicContact CG2-CG 4.24Å; I136-E140 WeakPolarHBondContact O-CB 3.49Å; I136-E140 WeakPolarHBondContact O-CG 3.19Å; I136-E140 PolarHBondContact O-N 3.21Å
137	N	81.3	Confident	82.8	Confident	86 Å²	86	65 Å²	65	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-39.8	178.5	-174.1	51	0	0	0	112.5	G133 I134 F139 N141	G133-N137 VanDerWaalsContact O-CB 3.24Å; G133-N137 WeakPolarHBondContact O-CB 3.44Å; G133-N137 PolarHBondContact O-N 3.07Å; I134-N137 PolarHBondContact O-N 2.8Å; N137-F139 VanDerWaalsContact C-N 3.32Å; N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 2.7Å; N137-N141 PolarHBondContact O-ND2 3.48Å; N137-N141 PolarHBondContact OD1-ND2 3.06Å
138	I	81.4	Confident	82.9	Confident	93 Å²	93	61.3 Å²	61.3	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173.4	-71.1	166.5	0	0	0	110	I134 L135 I136 N141 S142	I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 HydrophobicContact CG2-CG1 4.4Å; I134-I138 VanDerWaalsContact O-CG1 3.28Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 3.39Å; L135-I138 PolarHBondContact O-N 2.93Å; I136-I138 PolarHBondContact O-N 3.43Å; I138-N141 PolarHBondContact O-N 3.38Å; I138-S142 VanDerWaalsContact O-CB 3.28Å; I138-S142 WeakPolarHBondContact O-CB 3.38Å; I138-S142 PolarHBondContact O-N 3.13Å; I138-S142 PolarHBondContact O-OG 3.42Å
139	F	83.5	Confident	83.1	Confident	50 Å²	50	66.5 Å²	66.5	22%	0.219	35%	0.351	C	S	.	.	H	α-helix	trans	-66.8	-43.8	-179.9	-165.9	-89.4	0	0	0	112.1	V90 V93 K94 L97 L135 I136 N137 N141 S142 I147	V90-F139 HydrophobicContact CB-CZ 4.31Å; V90-F139 HydrophobicContact CG1-CE1 4.19Å; V90-F139 HydrophobicContact CG1-CE2 4.37Å; V90-F139 HydrophobicContact CG1-CZ 3.71Å; V90-F139 HydrophobicContact CG2-CZ 4.37Å; V93-F139 HydrophobicContact CB-CE1 3.81Å; V93-F139 HydrophobicContact CB-CZ 3.89Å; V93-F139 HydrophobicContact CG1-CD1 4.23Å; V93-F139 HydrophobicContact CG1-CE1 3.41Å; V93-F139 VanDerWaalsContact CG1-CE1 3.41Å; V93-F139 HydrophobicContact CG1-CZ 3.63Å; K94-F139 HydrophobicContact CB-CE1 4.49Å; K94-F139 WeakPolarHBondContact CE-O 3.35Å; K94-F139 HydrophobicContact CG-CD1 3.81Å; K94-F139 HydrophobicContact CG-CE1 3.55Å; K94-F139 PolarHBondContact NZ-O 2.85Å; L97-F139 HydrophobicContact CD1-CB 4.43Å; L97-F139 HydrophobicContact CD1-CD1 3.46Å; L97-F139 VanDerWaalsContact CD1-CD1 3.46Å; L97-F139 HydrophobicContact CD1-CE1 3.99Å; L97-F139 HydrophobicContact CD1-CG 4.21Å; L135-F139 WeakPolarHBondContact O-CB 3.49Å; L135-F139 PolarHBondContact O-N 3.13Å; I136-F139 WeakPolarHBondContact O-CB 3.42Å; I136-F139 PolarHBondContact O-N 3.04Å; I136-F139 VanDerWaalsContact O-N 3.13Å; N137-F139 VanDerWaalsContact C-N 3.32Å; F139-N141 VanDerWaalsContact C-N 3.34Å; F139-N141 PolarHBondContact O-N 2.78Å; F139-S142 PolarHBondContact O-N 2.92Å; F139-I147 HydrophobicContact CD1-CD1 4.44Å; F139-I147 HydrophobicContact CD2-CD1 3.85Å; F139-I147 HydrophobicContact CE1-CD1 4.39Å; F139-I147 HydrophobicContact CE2-CD1 3.78Å; F139-I147 HydrophobicContact CE2-CG2 4.01Å; F139-I147 HydrophobicContact CG-CD1 4.2Å; F139-I147 HydrophobicContact CZ-CD1 4.08Å
140	E	83	Confident	83.3	Confident	54 Å²	54	64.8 Å²	64.8	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.6	-74.9	-173.9	134.8	0	0	111.9	K94 L97 H98 I136	K94-E140 PolarHBondContact NZ-O 2.8Å; L97-E140 HydrophobicContact CB-CG 4.47Å; H98-E140 IonicContact CE1-OE1 2.85Å; H98-E140 PolarHBondContact CE1-OE1 3.46Å; H98-E140 VanDerWaalsContact CE1-OE1 3.3Å; H98-E140 IonicContact CG-OE1 3.42Å; H98-E140 IonicContact ND1-OE1 3.58Å; H98-E140 PolarHBondContact ND1-OE1 2.79Å; I136-E140 HydrophobicContact CG2-CG 4.24Å; I136-E140 WeakPolarHBondContact O-CB 3.49Å; I136-E140 WeakPolarHBondContact O-CG 3.19Å; I136-E140 PolarHBondContact O-N 3.21Å
141	N	85.2	Confident	83.3	Confident	117 Å²	117	65.1 Å²	65.1	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-86.5	-18.4	-178.3	-68	-52.4	0	0	0	114.8	N137 I138 F139	N137-N141 WeakPolarHBondContact O-CB 3.45Å; N137-N141 PolarHBondContact O-N 2.7Å; N137-N141 PolarHBondContact O-ND2 3.48Å; N137-N141 PolarHBondContact OD1-ND2 3.06Å; I138-N141 PolarHBondContact O-N 3.38Å; F139-N141 VanDerWaalsContact C-N 3.34Å; F139-N141 PolarHBondContact O-N 2.78Å
142	S	87	Confident	83.3	Confident	34 Å²	34	67.7 Å²	67.7	24%	0.238	37%	0.372	C	S	.	.	S	Bend	trans	-74.9	144.3	175.8	-64.3	0	0	0	0	110.9	K94 I138 F139	K94-S142 WeakPolarHBondContact CE-O 3.42Å; K94-S142 PolarHBondContact NZ-O 3.41Å; I138-S142 VanDerWaalsContact O-CB 3.28Å; I138-S142 WeakPolarHBondContact O-CB 3.38Å; I138-S142 PolarHBondContact O-N 3.13Å; I138-S142 PolarHBondContact O-OG 3.42Å; F139-S142 PolarHBondContact O-N 2.92Å
143	T	88.6	Confident	83.6	Confident	71 Å²	71	70.7 Å²	70.7	44%	0.436	39%	0.387	S	S	.	.			trans	-74.9	149.4	175.6	70.6	0	0	0	0	110.7	P145 I146 I147	T143-P145 VanDerWaalsContact C-CD 3.48Å; T143-P145 VanDerWaalsContact C-N 3.31Å; T143-I146 HydrophobicContact CG2-CD1 4.27Å; T143-I146 PolarHBondContact O-N 2.92Å; T143-I146 VanDerWaalsContact O-N 3.07Å; T143-I146 VanDerWaalsContact OG1-CD1 3.23Å; T143-I146 WeakPolarHBondContact OG1-CD1 3.36Å; T143-I146 WeakPolarHBondContact OG1-CG1 3.35Å; T143-I146 PolarHBondContact OG1-N 3.43Å; T143-I147 PolarHBondContact O-N 2.91Å; T143-I147 VanDerWaalsContact O-N 3.13Å
144	V	84.2	Confident	83.7	Confident	25 Å²	25	71.8 Å²	71.8	15%	0.152	39%	0.388	C	S	.	.	H	α-helix	trans	-52.1	-44.1	177.2	173.9	0	0	0	0	112.1	K87 V90 K94 I146 I147 C148	K87-V144 HydrophobicContact CB-CG1 3.72Å; K87-V144 HydrophobicContact CG-CG1 3.91Å; K87-V144 WeakPolarHBondContact O-CG1 3.27Å; V90-V144 HydrophobicContact CB-CG1 4.12Å; V90-V144 HydrophobicContact CG1-CB 4.26Å; V90-V144 HydrophobicContact CG1-CG1 4.09Å; V90-V144 HydrophobicContact CG1-CG2 4.01Å; K94-V144 HydrophobicContact CD-CG2 3.9Å; V144-I146 PolarHBondContact O-N 3.39Å; V144-I147 PolarHBondContact O-N 3.35Å; V144-C148 PolarHBondContact O-N 3.39Å
145	P	84.7	Confident	83.9	Confident	56 Å²	56	71.3 Å²	71.3	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-41.7	175.3	-24.7	35.7	0	0	0	113.9	T143 I147 C148 Q149	T143-P145 VanDerWaalsContact C-CD 3.48Å; T143-P145 VanDerWaalsContact C-N 3.31Å; P145-I147 VanDerWaalsContact C-N 3.34Å; P145-I147 PolarHBondContact O-N 3.27Å; P145-C148 PolarHBondContact O-N 2.04Å; P145-Q149 WeakPolarHBondContact O-CB 3.44Å; P145-Q149 VanDerWaalsContact O-CG 3.27Å; P145-Q149 WeakPolarHBondContact O-CG 3.37Å; P145-Q149 PolarHBondContact O-N 3.36Å
146	I	86.8	Confident	84.3	Confident	90 Å²	90	68.9 Å²	68.9	46%	0.462	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-42.8	-179.6	-71.8	169.5	0	0	0	110.6	T143 V144 C148 Q149 S150	T143-I146 HydrophobicContact CG2-CD1 4.27Å; T143-I146 PolarHBondContact O-N 2.92Å; T143-I146 VanDerWaalsContact O-N 3.07Å; T143-I146 VanDerWaalsContact OG1-CD1 3.23Å; T143-I146 WeakPolarHBondContact OG1-CD1 3.36Å; T143-I146 WeakPolarHBondContact OG1-CG1 3.35Å; T143-I146 PolarHBondContact OG1-N 3.43Å; V144-I146 PolarHBondContact O-N 3.39Å; I146-C148 PolarHBondContact O-N 3.38Å; I146-Q149 PolarHBondContact O-N 3.44Å; I146-S150 WeakPolarHBondContact O-CB 3.38Å; I146-S150 PolarHBondContact O-N 3.24Å
147	I	86.9	Confident	84.6	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.097	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-49.5	178.6	-65.8	165.9	0	0	0	109.7	V90 F139 T143 V144 P145 Q149 S150 I151	V90-I147 HydrophobicContact CG1-CB 4.06Å; V90-I147 HydrophobicContact CG1-CD1 3.46Å; V90-I147 VanDerWaalsContact CG1-CD1 3.46Å; V90-I147 HydrophobicContact CG1-CG1 4.35Å; V90-I147 HydrophobicContact CG1-CG2 4.05Å; V90-I147 HydrophobicContact CG2-CB 4.3Å; V90-I147 HydrophobicContact CG2-CG2 3.63Å; F139-I147 HydrophobicContact CD1-CD1 4.44Å; F139-I147 HydrophobicContact CD2-CD1 3.85Å; F139-I147 HydrophobicContact CE1-CD1 4.39Å; F139-I147 HydrophobicContact CE2-CD1 3.78Å; F139-I147 HydrophobicContact CE2-CG2 4.01Å; F139-I147 HydrophobicContact CG-CD1 4.2Å; F139-I147 HydrophobicContact CZ-CD1 4.08Å; T143-I147 PolarHBondContact O-N 2.91Å; T143-I147 VanDerWaalsContact O-N 3.13Å; V144-I147 PolarHBondContact O-N 3.35Å; P145-I147 VanDerWaalsContact C-N 3.34Å; P145-I147 PolarHBondContact O-N 3.27Å; I147-Q149 VanDerWaalsContact C-N 3.34Å; I147-Q149 PolarHBondContact O-N 3.37Å; I147-S150 PolarHBondContact O-N 3.18Å; I147-S150 PolarHBondContact O-OG 2.86Å; I147-I151 PolarHBondContact O-N 2.82Å
148	C	86.9	Confident	84.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-67.4	-31.8	-178.6	-66.5	0	0	0	0	114.1	C86 K87 V144 P145 I146 I151 I153 C154	C86-C148 HydrophobicContact CB-CB 3.89Å; C86-C148 WeakPolarHBondContact CB-SG 2.98Å; C86-C148 WeakPolarHBondContact SG-CA 3.03Å; C86-C148 WeakPolarHBondContact SG-CB 3.49Å; C86-C148 CovalentContact SG-SG 2.04Å; C86-C148 PolarHBondContact SG-SG 3.44Å; K87-C148 PolarHBondContact N-SG 3.38Å; K87-C148 VanDerWaalsContact N-SG 3.36Å; V144-C148 PolarHBondContact O-N 3.39Å; P145-C148 PolarHBondContact O-N 2.04Å; I146-C148 PolarHBondContact O-N 3.38Å; C148-I151 WeakPolarHBondContact O-CG1 3.42Å; C148-I153 PolarHBondContact O-N 3.24Å; C148-C154 HydrophobicContact CB-CB 4.16Å; C148-C154 WeakPolarHBondContact CB-SG 3.43Å; C148-C154 PolarHBondContact O-N 3.19Å; C148-C154 VanDerWaalsContact O-N 3.13Å
149	Q	88.4	Confident	85	Confident	112 Å²	112	69.7 Å²	69.7	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-69.8	-38.7	172	-74.4	172.5	-15.9	0	0	112.2	P145 I146 I147 I151 M152 C154	P145-Q149 WeakPolarHBondContact O-CB 3.44Å; P145-Q149 VanDerWaalsContact O-CG 3.27Å; P145-Q149 WeakPolarHBondContact O-CG 3.37Å; P145-Q149 PolarHBondContact O-N 3.36Å; I146-Q149 PolarHBondContact O-N 3.44Å; I147-Q149 VanDerWaalsContact C-N 3.34Å; I147-Q149 PolarHBondContact O-N 3.37Å; Q149-I151 PolarHBondContact O-N 3.29Å; Q149-M152 PolarHBondContact O-N 3.43Å; Q149-C154 WeakPolarHBondContact CA-OXT 3.06Å; Q149-C154 HydrophobicContact CG-CB 3.97Å
150	S	85.7	Confident	85.1	Confident	89 Å²	89	71 Å²	71	62%	0.622	39%	0.392	S	S	*	.	H	α-helix	trans	-63.9	-25.8	-178	73.8	0	0	0	0	113.5	I146 I147	I146-S150 WeakPolarHBondContact O-CB 3.38Å; I146-S150 PolarHBondContact O-N 3.24Å; I147-S150 PolarHBondContact O-N 3.18Å; I147-S150 PolarHBondContact O-OG 2.86Å
151	I	84.4	Confident	85.2	Confident	94 Å²	94	72.2 Å²	72.2	48%	0.482	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	11.7	177.1	61.8	178.6	0	0	0	113.1	I147 C148 Q149 I153	I147-I151 PolarHBondContact O-N 2.82Å; C148-I151 WeakPolarHBondContact O-CG1 3.42Å; Q149-I151 PolarHBondContact O-N 3.29Å; I151-I153 HydrophobicContact CD1-CD1 3.41Å; I151-I153 VanDerWaalsContact CD1-CD1 3.41Å; I151-I153 HydrophobicContact CD1-CG1 4.02Å; I151-I153 HydrophobicContact CG1-CB 4.26Å; I151-I153 HydrophobicContact CG1-CD1 3.85Å; I151-I153 HydrophobicContact CG1-CG1 3.84Å; I151-I153 PolarHBondContact O-N 3.18Å
152	M	82.4	Confident	85.2	Confident	176 Å²	176	68.8 Å²	68.8	87%	0.867	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	29.8	177.1	-55.6	-177.8	176.7	0	0	114.5	Q149 C154	Q149-M152 PolarHBondContact O-N 3.43Å; M152-C154 WeakPolarHBondContact CA-OXT 3.3Å
153	I	81.6	Confident	85.1	Confident	67 Å²	67	71.7 Å²	71.7	34%	0.344	40%	0.397	S	S	.	.			trans	-91.6	-39.7	173.5	-64.3	-179.3	0	0	0	110.3	F82 C86 C148 I151	F82-I153 VanDerWaalsContact C-CG2 3.5Å; F82-I153 HydrophobicContact CB-CG2 3.8Å; F82-I153 VanDerWaalsContact O-CG2 3.27Å; F82-I153 WeakPolarHBondContact O-CG2 3.37Å; C86-I153 HydrophobicContact CB-CB 4.3Å; C86-I153 HydrophobicContact CB-CD1 4.37Å; C86-I153 HydrophobicContact CB-CG2 3.76Å; C148-I153 PolarHBondContact O-N 3.24Å; I151-I153 HydrophobicContact CD1-CD1 3.41Å; I151-I153 VanDerWaalsContact CD1-CD1 3.41Å; I151-I153 HydrophobicContact CD1-CG1 4.02Å; I151-I153 HydrophobicContact CG1-CB 4.26Å; I151-I153 HydrophobicContact CG1-CD1 3.85Å; I151-I153 HydrophobicContact CG1-CG1 3.84Å; I151-I153 PolarHBondContact O-N 3.18Å
154	C	80.4	Confident	84.8	Confident	61 Å²	61	71.7 Å²	71.7	41%	0.412	39%	0.393	S	S	.	.			trans	-101.8	0	153.5	-47.6	0	0	0	0	107.6	C83 C148 Q149 M152	C83-C154 WeakPolarHBondContact CA-SG 3.3Å; C83-C154 HydrophobicContact CB-CB 4.02Å; C83-C154 WeakPolarHBondContact CB-SG 3.48Å; C83-C154 WeakPolarHBondContact SG-CB 3.49Å; C83-C154 CovalentContact SG-SG 2.03Å; C83-C154 PolarHBondContact SG-SG 2.56Å; C148-C154 HydrophobicContact CB-CB 4.16Å; C148-C154 WeakPolarHBondContact CB-SG 3.43Å; C148-C154 PolarHBondContact O-N 3.19Å; C148-C154 VanDerWaalsContact O-N 3.13Å; Q149-C154 WeakPolarHBondContact CA-OXT 3.06Å; Q149-C154 HydrophobicContact CG-CB 3.97Å; M152-C154 WeakPolarHBondContact CA-OXT 3.3Å

Retrieved 154 of 154 residues in 453.8 ms (Link to these results)

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