G4VCL4_SCHMA Loading...

DHC_N1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VCL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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	60.5	Low	77.1	Confident	234 Å²	234	119 Å²	119	100%	1.153	61%	0.611	S	S	*	*				0	-18.7	0	-148.8	179.5	-74.4	0	0	112.1
2	E	63.4	Low	77.9	Confident	173 Å²	173	121.3 Å²	121.3	81%	0.808	61%	0.608	S	S	*	*	H	α-helix	trans	-78.3	-31.3	-179.5	-67.2	177.7	161.8	0	0	114.9	G4 F5 S6	E2-G4 PolarHBondContact O-N 3.21Å; E2-F5 PolarHBondContact O-N 3.38Å; E2-S6 PolarHBondContact O-N 3.14Å
3	E	68.6	Low	78.8	Confident	168 Å²	168	119.7 Å²	119.7	79%	0.785	60%	0.598	S	S	*	*	H	α-helix	trans	-62.3	-41.1	-177.8	-72.1	-177.5	159.4	0	0	113.1	F5 S6 T7	E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.4Å; E3-S6 PolarHBondContact O-N 3.29Å; E3-T7 PolarHBondContact O-N 3.41Å; E3-T7 VanDerWaalsContact O-N 3.14Å; E3-T7 PolarHBondContact O-OG1 3.4Å
4	G	72.9	Confident	79.6	Confident	42 Å²	42	117.4 Å²	117.4	43%	0.433	59%	0.593	S	S	.	*	H	α-helix	trans	-65.8	-30.1	178.5	0	0	0	0	0	113.6	E2 T7 T8	E2-G4 PolarHBondContact O-N 3.21Å; G4-T7 WeakPolarHBondContact CA-OG1 3.38Å; G4-T7 PolarHBondContact O-OG1 3.18Å; G4-T8 PolarHBondContact O-N 3.32Å; G4-T8 PolarHBondContact O-OG1 3.23Å
5	F	73.2	Confident	80.2	Confident	148 Å²	148	115.3 Å²	115.3	65%	0.649	59%	0.589	S	S	*	*	H	α-helix	trans	-75	-38.4	177.5	-161	-105.1	0	0	0	111.3	E2 E3 T8 I9	E2-F5 PolarHBondContact O-N 3.38Å; E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.4Å; F5-T8 PolarHBondContact O-N 2.88Å; F5-I9 HydrophobicContact CD1-CD1 3.58Å; F5-I9 HydrophobicContact CD1-CG1 4.37Å; F5-I9 HydrophobicContact CE1-CD1 3.5Å; F5-I9 HydrophobicContact CE1-CG1 4.3Å; F5-I9 HydrophobicContact CZ-CD1 4.4Å; F5-I9 WeakPolarHBondContact O-CG1 3.35Å; F5-I9 PolarHBondContact O-N 3.3Å
6	S	79.3	Confident	80.8	Confident	60 Å²	60	113.3 Å²	113.3	42%	0.42	58%	0.579	S	S	.	*	H	α-helix	trans	-64.4	-40.3	176.3	-172.2	0	0	0	0	112.4	E2 E3 I9 K10	E2-S6 PolarHBondContact O-N 3.14Å; E3-S6 PolarHBondContact O-N 3.29Å; S6-I9 PolarHBondContact O-N 3.02Å; S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.46Å
7	T	83.7	Confident	81.2	Confident	73 Å²	73	113.1 Å²	113.1	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-64.5	-44.5	175.5	48.8	0	0	0	0	111.9	E3 G4 I9 K10 E11	E3-T7 PolarHBondContact O-N 3.41Å; E3-T7 VanDerWaalsContact O-N 3.14Å; E3-T7 PolarHBondContact O-OG1 3.4Å; G4-T7 WeakPolarHBondContact CA-OG1 3.38Å; G4-T7 PolarHBondContact O-OG1 3.18Å; T7-I9 PolarHBondContact O-N 3.43Å; T7-K10 PolarHBondContact O-N 3Å; T7-E11 WeakPolarHBondContact O-CG 3.44Å; T7-E11 PolarHBondContact O-N 3.06Å
8	T	83.5	Confident	81.6	Confident	82 Å²	82	111 Å²	111	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-37.9	178.6	-57	0	0	0	0	112.6	G4 F5 E11 Y12	G4-T8 PolarHBondContact O-N 3.32Å; G4-T8 PolarHBondContact O-OG1 3.23Å; F5-T8 PolarHBondContact O-N 2.88Å; T8-E11 PolarHBondContact O-N 3.26Å; T8-Y12 WeakPolarHBondContact O-CB 3.44Å; T8-Y12 PolarHBondContact O-N 3.5Å
9	I	87.2	Confident	81.9	Confident	72 Å²	72	109 Å²	109	37%	0.369	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-44.1	175.5	-70.3	170	0	0	0	111.1	F5 S6 T7 Y12 Q13	F5-I9 HydrophobicContact CD1-CD1 3.58Å; F5-I9 HydrophobicContact CD1-CG1 4.37Å; F5-I9 HydrophobicContact CE1-CD1 3.5Å; F5-I9 HydrophobicContact CE1-CG1 4.3Å; F5-I9 HydrophobicContact CZ-CD1 4.4Å; F5-I9 WeakPolarHBondContact O-CG1 3.35Å; F5-I9 PolarHBondContact O-N 3.3Å; S6-I9 PolarHBondContact O-N 3.02Å; T7-I9 PolarHBondContact O-N 3.43Å; I9-Y12 PolarHBondContact O-N 2.93Å; I9-Q13 HydrophobicContact CG2-CG 4.43Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3.23Å
10	K	87.5	Confident	82	Confident	132 Å²	132	108.2 Å²	108.2	57%	0.574	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-41.9	178.2	-72	179.7	-177.4	-178.1	0	112.1	S6 T7 Q13 T14	S6-K10 WeakPolarHBondContact O-CG 3.44Å; S6-K10 PolarHBondContact O-N 3.46Å; T7-K10 PolarHBondContact O-N 3Å; K10-Q13 PolarHBondContact O-N 3.45Å; K10-T14 WeakPolarHBondContact O-CB 3.44Å; K10-T14 PolarHBondContact O-N 3.23Å; K10-T14 PolarHBondContact O-OG1 3.18Å
11	E	87.8	Confident	82.1	Confident	125 Å²	125	109.8 Å²	109.8	58%	0.584	57%	0.565	S	S	*	*	H	α-helix	trans	-61.2	-45.5	174.2	-73.4	174.5	176.7	0	0	111.2	T7 T8 T14 V15	T7-E11 WeakPolarHBondContact O-CG 3.44Å; T7-E11 PolarHBondContact O-N 3.06Å; T8-E11 PolarHBondContact O-N 3.26Å; E11-T14 WeakPolarHBondContact O-CB 3.4Å; E11-T14 PolarHBondContact O-N 2.9Å; E11-V15 WeakPolarHBondContact O-CG2 3.37Å; E11-V15 PolarHBondContact O-N 2.77Å
12	Y	87.8	Confident	83.3	Confident	146 Å²	146	106 Å²	106	57%	0.573	54%	0.542	S	S	*	.	H	α-helix	trans	-60.6	-45.6	176.5	179.2	-108	0	0	0	112.4	T8 I9 T14 V15 L16	T8-Y12 WeakPolarHBondContact O-CB 3.44Å; T8-Y12 PolarHBondContact O-N 3.5Å; I9-Y12 PolarHBondContact O-N 2.93Å; Y12-T14 VanDerWaalsContact C-N 3.33Å; Y12-T14 PolarHBondContact O-N 2.89Å; Y12-V15 PolarHBondContact O-N 3.42Å; Y12-L16 HydrophobicContact CD1-CD1 3.96Å; Y12-L16 HydrophobicContact CD1-CG 4.45Å; Y12-L16 HydrophobicContact CE1-CD1 3.43Å; Y12-L16 VanDerWaalsContact CE1-CD1 3.43Å; Y12-L16 HydrophobicContact CE1-CG 4.07Å; Y12-L16 HydrophobicContact CE2-CD2 4.48Å; Y12-L16 HydrophobicContact CE2-CG 4.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.46Å; Y12-L16 PolarHBondContact O-N 2.96Å
13	Q	88.9	Confident	84.2	Confident	101 Å²	101	102.4 Å²	102.4	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-42.9	174.4	-75	174.9	-20.9	0	0	111.9	I9 K10 V15 L16 E17	I9-Q13 HydrophobicContact CG2-CG 4.43Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3.23Å; K10-Q13 PolarHBondContact O-N 3.45Å; Q13-V15 VanDerWaalsContact C-N 3.32Å; Q13-V15 PolarHBondContact O-N 3.3Å; Q13-L16 WeakPolarHBondContact O-CB 3.34Å; Q13-L16 PolarHBondContact O-N 2.76Å; Q13-E17 WeakPolarHBondContact O-CG 3.46Å; Q13-E17 PolarHBondContact O-N 2.94Å
14	T	89.8	Confident	84.7	Confident	87 Å²	87	97.2 Å²	97.2	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-39.5	177.1	-53.7	0	0	0	0	111.7	K10 E11 Y12 S18	K10-T14 WeakPolarHBondContact O-CB 3.44Å; K10-T14 PolarHBondContact O-N 3.23Å; K10-T14 PolarHBondContact O-OG1 3.18Å; E11-T14 WeakPolarHBondContact O-CB 3.4Å; E11-T14 PolarHBondContact O-N 2.9Å; Y12-T14 VanDerWaalsContact C-N 3.33Å; Y12-T14 PolarHBondContact O-N 2.89Å; T14-S18 WeakPolarHBondContact O-CB 3.47Å; T14-S18 PolarHBondContact O-N 2.96Å
15	V	89.4	Confident	85.2	Confident	87 Å²	87	97.8 Å²	97.8	53%	0.527	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-45.2	174.1	172.3	0	0	0	0	110.8	E11 Y12 Q13 S18 V19	E11-V15 WeakPolarHBondContact O-CG2 3.37Å; E11-V15 PolarHBondContact O-N 2.77Å; Y12-V15 PolarHBondContact O-N 3.42Å; Q13-V15 VanDerWaalsContact C-N 3.32Å; Q13-V15 PolarHBondContact O-N 3.3Å; V15-S18 WeakPolarHBondContact O-CB 3.38Å; V15-S18 PolarHBondContact O-N 3.4Å; V15-V19 HydrophobicContact CG1-CG2 4.4Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.4Å
16	L	89.2	Confident	85.5	Confident	82 Å²	82	94.6 Å²	94.6	43%	0.429	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-46.7	176.8	-71.9	179.4	0	0	0	111.9	Y12 Q13 S18 V19 D20	Y12-L16 HydrophobicContact CD1-CD1 3.96Å; Y12-L16 HydrophobicContact CD1-CG 4.45Å; Y12-L16 HydrophobicContact CE1-CD1 3.43Å; Y12-L16 VanDerWaalsContact CE1-CD1 3.43Å; Y12-L16 HydrophobicContact CE1-CG 4.07Å; Y12-L16 HydrophobicContact CE2-CD2 4.48Å; Y12-L16 HydrophobicContact CE2-CG 4.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.46Å; Y12-L16 PolarHBondContact O-N 2.96Å; Q13-L16 WeakPolarHBondContact O-CB 3.34Å; Q13-L16 PolarHBondContact O-N 2.76Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.25Å; L16-V19 PolarHBondContact O-N 2.96Å; L16-D20 WeakPolarHBondContact O-CB 3.41Å; L16-D20 PolarHBondContact O-N 3.39Å
17	E	88.1	Confident	85.6	Confident	110 Å²	110	94.3 Å²	94.3	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-38.2	176.5	-72.2	177.5	-165.7	0	0	112.6	Q13 K21	Q13-E17 WeakPolarHBondContact O-CG 3.46Å; Q13-E17 PolarHBondContact O-N 2.94Å; E17-K21 WeakPolarHBondContact O-CB 3.25Å; E17-K21 VanDerWaalsContact O-CG 3.25Å; E17-K21 WeakPolarHBondContact O-CG 3.32Å; E17-K21 PolarHBondContact O-N 2.8Å
18	S	88.2	Confident	85.2	Confident	76 Å²	76	93 Å²	93	53%	0.531	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-42.9	176.1	-176.6	0	0	0	0	111.9	T14 V15 L16 K22	T14-S18 WeakPolarHBondContact O-CB 3.47Å; T14-S18 PolarHBondContact O-N 2.96Å; V15-S18 WeakPolarHBondContact O-CB 3.38Å; V15-S18 PolarHBondContact O-N 3.4Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.25Å; S18-K22 WeakPolarHBondContact O-CB 3.39Å; S18-K22 PolarHBondContact O-N 2.79Å
19	V	86.5	Confident	85.1	Confident	73 Å²	73	95.3 Å²	95.3	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-46	174.8	170.9	0	0	0	0	110.4	V15 L16 K22 L23	V15-V19 HydrophobicContact CG1-CG2 4.4Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.4Å; L16-V19 PolarHBondContact O-N 2.96Å; V19-K22 PolarHBondContact O-N 3.02Å; V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.22Å; V19-L23 WeakPolarHBondContact O-CB 3.37Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å
20	D	83.9	Confident	84.9	Confident	93 Å²	93	95.2 Å²	95.2	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-43.5	179.7	-170.9	59.6	0	0	0	112.2	L16 K22 L23 T24	L16-D20 WeakPolarHBondContact O-CB 3.41Å; L16-D20 PolarHBondContact O-N 3.39Å; D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.26Å; D20-L23 PolarHBondContact O-N 2.92Å; D20-T24 VanDerWaalsContact O-CB 3.27Å; D20-T24 WeakPolarHBondContact O-CB 3.34Å; D20-T24 PolarHBondContact O-N 2.93Å; D20-T24 PolarHBondContact O-OG1 3.26Å
21	K	84.3	Confident	84.6	Confident	142 Å²	142	98.3 Å²	98.3	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-59.2	-42.3	172.1	-76.6	171.2	-175.3	168.2	0	112	E17 S25	E17-K21 WeakPolarHBondContact O-CB 3.25Å; E17-K21 VanDerWaalsContact O-CG 3.25Å; E17-K21 WeakPolarHBondContact O-CG 3.32Å; E17-K21 PolarHBondContact O-N 2.8Å; K21-S25 VanDerWaalsContact O-CB 3.32Å; K21-S25 WeakPolarHBondContact O-CB 3.44Å; K21-S25 PolarHBondContact O-N 2.78Å
22	K	85.5	Confident	84.3	Confident	155 Å²	155	94.9 Å²	94.9	67%	0.674	48%	0.483	S	S	*	.	H	α-helix	trans	-68.5	-43.4	179	-168.3	175.3	-176.9	179.5	0	111.6	S18 V19 D20 S25 V26	S18-K22 WeakPolarHBondContact O-CB 3.39Å; S18-K22 PolarHBondContact O-N 2.79Å; V19-K22 PolarHBondContact O-N 3.02Å; D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.26Å; K22-S25 PolarHBondContact O-N 2.81Å; K22-V26 VanDerWaalsContact O-CG2 3.32Å; K22-V26 WeakPolarHBondContact O-CG2 3.06Å; K22-V26 PolarHBondContact O-N 3.4Å
23	L	82.1	Confident	83.9	Confident	97 Å²	97	90.6 Å²	90.6	51%	0.508	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-48.4	175.5	-75.4	171.9	0	0	0	110.9	V19 D20 S25 V26 I27	V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.22Å; V19-L23 WeakPolarHBondContact O-CB 3.37Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å; D20-L23 PolarHBondContact O-N 2.92Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 2.87Å; L23-V26 PolarHBondContact O-N 2.81Å; L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 3.5Å
24	T	80.8	Confident	83.4	Confident	59 Å²	59	88.9 Å²	88.9	36%	0.362	46%	0.464	S	S	.	.	H	α-helix	trans	-57	-45.6	175.5	-61.6	0	0	0	0	110.6	D20 V26 I27 T28	D20-T24 VanDerWaalsContact O-CB 3.27Å; D20-T24 WeakPolarHBondContact O-CB 3.34Å; D20-T24 PolarHBondContact O-N 2.93Å; D20-T24 PolarHBondContact O-OG1 3.26Å; T24-V26 PolarHBondContact O-N 3.18Å; T24-I27 PolarHBondContact O-N 2.97Å; T24-T28 HydrophobicContact CG2-CG2 4.26Å; T24-T28 WeakPolarHBondContact O-CB 3.37Å; T24-T28 VanDerWaalsContact O-CG2 3.24Å; T24-T28 WeakPolarHBondContact O-CG2 3.34Å; T24-T28 PolarHBondContact O-N 3.05Å; T24-T28 PolarHBondContact O-OG1 3.01Å
25	S	81.6	Confident	82.7	Confident	54 Å²	54	87.2 Å²	87.2	38%	0.378	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-45.7	176.5	-177.4	0	0	0	0	112.5	K21 K22 L23 T28 N29	K21-S25 VanDerWaalsContact O-CB 3.32Å; K21-S25 WeakPolarHBondContact O-CB 3.44Å; K21-S25 PolarHBondContact O-N 2.78Å; K22-S25 PolarHBondContact O-N 2.81Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 2.87Å; S25-T28 WeakPolarHBondContact CA-OG1 3.45Å; S25-T28 PolarHBondContact O-N 3.32Å; S25-T28 PolarHBondContact O-OG1 3.47Å; S25-N29 VanDerWaalsContact O-CB 3.3Å; S25-N29 WeakPolarHBondContact O-CB 3.35Å; S25-N29 PolarHBondContact O-N 3.35Å; S25-N29 PolarHBondContact O-ND2 3.02Å; S25-N29 VanDerWaalsContact O-ND2 3.1Å; S25-N29 PolarHBondContact OG-ND2 2.66Å
26	V	80.9	Confident	82.1	Confident	80 Å²	80	84.2 Å²	84.2	49%	0.485	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-47.9	176.9	170.7	0	0	0	0	111	K22 L23 T24 T28 N29 D30	K22-V26 VanDerWaalsContact O-CG2 3.32Å; K22-V26 WeakPolarHBondContact O-CG2 3.06Å; K22-V26 PolarHBondContact O-N 3.4Å; L23-V26 PolarHBondContact O-N 2.81Å; T24-V26 PolarHBondContact O-N 3.18Å; V26-T28 PolarHBondContact O-N 3.04Å; V26-N29 PolarHBondContact O-N 2.91Å; V26-D30 WeakPolarHBondContact O-CB 3.49Å; V26-D30 PolarHBondContact O-N 3Å; V26-D30 VanDerWaalsContact O-N 3.08Å
27	I	80.1	Confident	81.2	Confident	54 Å²	54	82.7 Å²	82.7	28%	0.277	43%	0.427	S	S	.	.	H	α-helix	trans	-61.8	-44.9	179	-66.9	167.7	0	0	0	110.5	L23 T24 N29 D30 L33 N34 V37	L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 3.5Å; T24-I27 PolarHBondContact O-N 2.97Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 2.8Å; I27-D30 PolarHBondContact O-N 3Å; I27-L33 HydrophobicContact CG2-CB 4.19Å; I27-N34 PolarHBondContact O-N 3.34Å; I27-V37 HydrophobicContact CG2-CB 4.33Å
28	T	76.8	Confident	79.8	Confident	46 Å²	46	82.1 Å²	82.1	28%	0.282	43%	0.433	S	S	.	.	H	α-helix	trans	-67.7	-32.7	-178.7	51.6	0	0	0	0	113.7	T24 S25 V26	T24-T28 HydrophobicContact CG2-CG2 4.26Å; T24-T28 WeakPolarHBondContact O-CB 3.37Å; T24-T28 VanDerWaalsContact O-CG2 3.24Å; T24-T28 WeakPolarHBondContact O-CG2 3.34Å; T24-T28 PolarHBondContact O-N 3.05Å; T24-T28 PolarHBondContact O-OG1 3.01Å; S25-T28 WeakPolarHBondContact CA-OG1 3.45Å; S25-T28 PolarHBondContact O-N 3.32Å; S25-T28 PolarHBondContact O-OG1 3.47Å; V26-T28 PolarHBondContact O-N 3.04Å
29	N	81	Confident	78.4	Confident	130 Å²	130	84.8 Å²	84.8	70%	0.695	44%	0.435	S	S	*	.	H	α-helix	trans	-82.3	-20.8	-178.9	-71.5	-27.7	0	0	0	112.1	S25 V26 I27	S25-N29 VanDerWaalsContact O-CB 3.3Å; S25-N29 WeakPolarHBondContact O-CB 3.35Å; S25-N29 PolarHBondContact O-N 3.35Å; S25-N29 PolarHBondContact O-ND2 3.02Å; S25-N29 VanDerWaalsContact O-ND2 3.1Å; S25-N29 PolarHBondContact OG-ND2 2.66Å; V26-N29 PolarHBondContact O-N 2.91Å; I27-N29 VanDerWaalsContact C-N 3.33Å; I27-N29 PolarHBondContact O-N 2.8Å
30	D	82.7	Confident	76.8	Confident	70 Å²	70	85.4 Å²	85.4	37%	0.374	44%	0.442	S	S	.	.			trans	-90.6	113.2	174.1	-171.8	-57.2	0	0	0	110.4	V26 I27 F32 L33 N34	V26-D30 WeakPolarHBondContact O-CB 3.49Å; V26-D30 PolarHBondContact O-N 3Å; V26-D30 VanDerWaalsContact O-N 3.08Å; I27-D30 PolarHBondContact O-N 3Å; D30-F32 PolarHBondContact O-N 3.26Å; D30-F32 WeakPolarHBondContact OD1-CA 3.32Å; D30-F32 WeakPolarHBondContact OD1-CB 3.43Å; D30-F32 PolarHBondContact OD1-N 3.12Å; D30-L33 HydrophobicContact CB-CB 3.99Å; D30-L33 HydrophobicContact CB-CD1 3.92Å; D30-L33 HydrophobicContact CB-CG 3.97Å; D30-L33 PolarHBondContact O-N 2.69Å; D30-L33 PolarHBondContact OD1-N 3.31Å; D30-N34 VanDerWaalsContact O-CB 3.26Å; D30-N34 WeakPolarHBondContact O-CB 3.3Å; D30-N34 PolarHBondContact O-N 3.47Å
31	R	81.4	Confident	75.2	Confident	197 Å²	197	88.6 Å²	88.6	74%	0.743	46%	0.459	S	S	*	.	H	α-helix	trans	-57.4	-37.5	-178.3	-175.3	179.1	177.5	-175.7	1.4	112.8	D35	R31-D35 PolarHBondContact O-N 3.17Å
32	F	81.1	Confident	73.5	Confident	53 Å²	53	88.8 Å²	88.8	23%	0.232	46%	0.462	C	S	.	.	H	α-helix	trans	-74.8	-44.3	-178.1	174.4	-97.4	0	0	0	111.3	D30 D35 L36 T59 I60 H63	D30-F32 PolarHBondContact O-N 3.26Å; D30-F32 WeakPolarHBondContact OD1-CA 3.32Å; D30-F32 WeakPolarHBondContact OD1-CB 3.43Å; D30-F32 PolarHBondContact OD1-N 3.12Å; F32-D35 WeakPolarHBondContact O-CB 3.07Å; F32-D35 PolarHBondContact O-N 2.94Å; F32-L36 HydrophobicContact CD1-CD1 3.94Å; F32-L36 HydrophobicContact CE1-CD1 3.33Å; F32-L36 HydrophobicContact CE1-CG 4.22Å; F32-L36 HydrophobicContact CZ-CD1 3.66Å; F32-L36 HydrophobicContact CZ-CG 4.26Å; F32-L36 PolarHBondContact O-N 3.33Å; F32-T59 HydrophobicContact CD2-CG2 4.04Å; F32-T59 HydrophobicContact CE2-CG2 3.86Å; F32-I60 HydrophobicContact CE2-CG1 3.8Å; F32-I60 HydrophobicContact CZ-CG1 3.72Å; F32-H63 HydrophobicContact CD2-CB 4.2Å
33	L	79.6	Confident	71.4	Confident	57 Å²	57	91.2 Å²	91.2	30%	0.298	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-39	176.9	-61.8	179.6	0	0	0	111.9	I27 D30 D35 L36 V37	I27-L33 HydrophobicContact CG2-CB 4.19Å; D30-L33 HydrophobicContact CB-CB 3.99Å; D30-L33 HydrophobicContact CB-CD1 3.92Å; D30-L33 HydrophobicContact CB-CG 3.97Å; D30-L33 PolarHBondContact O-N 2.69Å; D30-L33 PolarHBondContact OD1-N 3.31Å; L33-D35 VanDerWaalsContact C-N 3.25Å; L33-D35 PolarHBondContact O-N 3.28Å; L33-L36 HydrophobicContact CD2-CD1 4.48Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-L36 VanDerWaalsContact O-N 3.08Å; L33-V37 PolarHBondContact O-N 3.34Å
34	N	78.2	Confident	69.6	Low	64 Å²	64	93.8 Å²	93.8	34%	0.342	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-31.5	174.9	-167.6	66.8	0	0	0	112.5	I27 D30 L36	I27-N34 PolarHBondContact O-N 3.34Å; D30-N34 VanDerWaalsContact O-CB 3.26Å; D30-N34 WeakPolarHBondContact O-CB 3.3Å; D30-N34 PolarHBondContact O-N 3.47Å; N34-L36 VanDerWaalsContact C-N 3.35Å
35	D	75.6	Confident	67.3	Low	53 Å²	53	96 Å²	96	28%	0.283	51%	0.51	S	S	.	.	H	α-helix	trans	-74.3	-22.5	173.6	-89.8	-39.2	0	0	0	113.5	R31 F32 L33 T59 R69	R31-D35 PolarHBondContact O-N 3.17Å; F32-D35 WeakPolarHBondContact O-CB 3.07Å; F32-D35 PolarHBondContact O-N 2.94Å; L33-D35 VanDerWaalsContact C-N 3.25Å; L33-D35 PolarHBondContact O-N 3.28Å; D35-T59 HydrophobicContact CB-CG2 3.83Å; D35-R69 IonicContact OD1-CZ 2.84Å; D35-R69 IonicContact OD1-NH1 3.05Å; D35-R69 PolarHBondContact OD1-NH1 3.38Å; D35-R69 IonicContact OD1-NH2 2.56Å
36	L	76.1	Confident	65.3	Low	24 Å²	24	101 Å²	101	13%	0.126	53%	0.527	C	S	.	.	H	α-helix	trans	-89	-32.6	178.7	-75.4	179.2	0	0	0	113.3	F32 L33 N34 P38 V56 T59	F32-L36 HydrophobicContact CD1-CD1 3.94Å; F32-L36 HydrophobicContact CE1-CD1 3.33Å; F32-L36 HydrophobicContact CE1-CG 4.22Å; F32-L36 HydrophobicContact CZ-CD1 3.66Å; F32-L36 HydrophobicContact CZ-CG 4.26Å; F32-L36 PolarHBondContact O-N 3.33Å; L33-L36 HydrophobicContact CD2-CD1 4.48Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-L36 VanDerWaalsContact O-N 3.08Å; N34-L36 VanDerWaalsContact C-N 3.35Å; L36-P38 VanDerWaalsContact O-CD 3.24Å; L36-P38 WeakPolarHBondContact O-CD 2.94Å; L36-V56 HydrophobicContact CD2-CB 4.26Å; L36-V56 HydrophobicContact CD2-CG1 4.35Å; L36-V56 HydrophobicContact CD2-CG2 4.15Å; L36-T59 HydrophobicContact CD2-CG2 3.7Å; L36-T59 HydrophobicContact CG-CG2 3.97Å
37	V	69.7	Low	63.7	Low	50 Å²	50	101.3 Å²	101.3	30%	0.303	53%	0.533	S	S	.	.	S	Bend	trans	-117.7	72.6	-179.5	-170	0	0	0	0	107.5	I27 L33 K39 I48	I27-V37 HydrophobicContact CG2-CB 4.33Å; L33-V37 PolarHBondContact O-N 3.34Å; V37-K39 PolarHBondContact O-N 2.95Å; V37-I48 HydrophobicContact CG1-CG2 4.28Å
38	P	60.4	Low	62.5	Low	98 Å²	98	105.3 Å²	105.3	64%	0.636	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-61.3	127.2	178	24.6	-30.7	0	0	0	108.5	L36 S40	L36-P38 VanDerWaalsContact O-CD 3.24Å; L36-P38 WeakPolarHBondContact O-CD 2.94Å; P38-S40 PolarHBondContact O-N 2.89Å
39	K	58.5	Low	61.8	Low	132 Å²	132	109.1 Å²	109.1	57%	0.574	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-58.3	129	168.9	-66.5	-177.3	176.2	-178.3	0	107.8	V37 D41	V37-K39 PolarHBondContact O-N 2.95Å; K39-D41 PolarHBondContact O-N 3.34Å
40	S	53.3	Low	61.3	Low	85 Å²	85	109.9 Å²	109.9	59%	0.594	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-61.5	124.2	160.3	50.7	0	0	0	0	106.7	P38 H42	P38-S40 PolarHBondContact O-N 2.89Å; S40-H42 PolarHBondContact O-N 3.1Å; S40-H42 PolarHBondContact OG-O 2.86Å; S40-H42 VanDerWaalsContact OG-O 3.05Å
41	D	50.1	Low	60.9	Low	161 Å²	161	108.1 Å²	108.1	86%	0.861	57%	0.568	S	S	*	*	S	Bend	trans	-66.3	1.8	171	-70.2	-37.3	0	0	0	112.1	K39	K39-D41 PolarHBondContact O-N 3.34Å
42	H	47.3	Very low	61	Low	146 Å²	146	104.3 Å²	104.3	68%	0.676	56%	0.561	S	S	*	*	S	Bend	trans	-107.3	120.6	173.1	-68.7	-70.8	0	0	0	109.6	S40 E44	S40-H42 PolarHBondContact O-N 3.1Å; S40-H42 PolarHBondContact OG-O 2.86Å; S40-H42 VanDerWaalsContact OG-O 3.05Å; H42-E44 PolarHBondContact O-N 2.99Å
43	E	42.3	Very low	61.2	Low	206 Å²	206	107.7 Å²	107.7	96%	0.963	58%	0.581	S	S	*	*			trans	-66.7	15.8	175.9	-65.2	-174.5	149.9	0	0	113.9	A45	E43-A45 PolarHBondContact O-N 2.94Å
44	E	43	Very low	61.5	Low	150 Å²	150	109.7 Å²	109.7	70%	0.701	59%	0.587	S	S	*	*			trans	-89.1	115.3	176.9	-69.2	-175.4	178.4	0	0	109.1	H42 E46	H42-E44 PolarHBondContact O-N 2.99Å; E44-E46 VanDerWaalsContact C-N 3.29Å; E44-E46 PolarHBondContact O-N 2.65Å
45	A	32.7	Very low	61.9	Low	107 Å²	107	111.2 Å²	111.2	88%	0.884	59%	0.593	S	S	*	*			trans	-59.3	83	179.8	0	0	0	0	0	111.9	E43	E43-A45 PolarHBondContact O-N 2.94Å
46	E	40.9	Very low	62.4	Low	159 Å²	159	110.7 Å²	110.7	74%	0.743	59%	0.591	S	S	*	*			trans	-122.9	107	171.5	-70.3	-167.6	158.9	0	0	109	E44	E44-E46 VanDerWaalsContact C-N 3.29Å; E44-E46 PolarHBondContact O-N 2.65Å
47	S	47	Very low	63.1	Low	85 Å²	85	113.6 Å²	113.6	59%	0.594	61%	0.605	S	S	*	*			trans	24.7	111.5	164	53.8	0	0	0	0	116.5	N49	S47-N49 PolarHBondContact O-N 3.26Å
48	I	54.5	Low	64	Low	138 Å²	138	113.7 Å²	113.7	71%	0.708	60%	0.604	S	S	*	*			trans	-58.9	91.3	163.5	-56.8	171.6	0	0	0	107.5	V37 L50	V37-I48 HydrophobicContact CG1-CG2 4.28Å; I48-L50 PolarHBondContact O-N 3.4Å; I48-L50 VanDerWaalsContact O-N 3.12Å
49	N	62.8	Low	65.3	Low	126 Å²	126	109.5 Å²	109.5	67%	0.674	58%	0.576	S	S	*	*			trans	-71.2	109.7	174.2	-75.3	-51	0	0	0	106.2	S47	S47-N49 PolarHBondContact O-N 3.26Å
50	L	69.7	Low	66.8	Low	147 Å²	147	105.4 Å²	105.4	77%	0.77	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-55.3	137.2	174.9	-72.8	168.6	0	0	0	109.1	I48 I52	I48-L50 PolarHBondContact O-N 3.4Å; I48-L50 VanDerWaalsContact O-N 3.12Å; L50-I52 PolarHBondContact O-N 3.01Å
51	P	75	Confident	68.7	Low	33 Å²	33	104.1 Å²	104.1	21%	0.214	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-61.9	137.7	-177.7	25.3	-34	0	0	0	110.2	E55 V56	P51-E55 VanDerWaalsContact CA-OE2 3.27Å; P51-E55 WeakPolarHBondContact CA-OE2 3.48Å; P51-E55 HydrophobicContact CB-CB 4.19Å; P51-V56 HydrophobicContact CB-CG2 3.98Å; P51-V56 HydrophobicContact CG-CG2 3.85Å
52	I	83.1	Confident	70.7	Confident	116 Å²	116	97.8 Å²	97.8	60%	0.595	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-68.3	150.5	176.5	-58.6	173.3	0	0	0	108.1	L50 K54 E55 V56	L50-I52 PolarHBondContact O-N 3.01Å; I52-K54 PolarHBondContact O-N 2.91Å; I52-E55 PolarHBondContact N-OE2 3.27Å; I52-E55 WeakPolarHBondContact O-CA 3.48Å; I52-E55 WeakPolarHBondContact O-CB 3.49Å; I52-E55 PolarHBondContact O-N 3.43Å; I52-V56 PolarHBondContact O-N 3.14Å; I52-V56 VanDerWaalsContact O-N 3.14Å
53	N	85.4	Confident	72.6	Confident	125 Å²	125	95.5 Å²	95.5	67%	0.668	50%	0.501	S	S	*	.	H	α-helix	trans	-45.1	-40.7	179	-179.7	-80.4	0	0	0	113.4	E55 V56 M57	N53-E55 PolarHBondContact O-N 3.3Å; N53-V56 PolarHBondContact O-N 3.41Å; N53-M57 VanDerWaalsContact O-CG 3.31Å; N53-M57 WeakPolarHBondContact O-CG 3.24Å; N53-M57 PolarHBondContact O-N 3.39Å
54	K	86.5	Confident	74.9	Confident	98 Å²	98	92.3 Å²	92.3	43%	0.426	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-41.6	176.5	-174.8	179.4	-173.9	173.5	0	113.1	I52 N58 D99	I52-K54 PolarHBondContact O-N 2.91Å; K54-N58 VanDerWaalsContact O-CB 3.23Å; K54-N58 WeakPolarHBondContact O-CB 3.33Å; K54-N58 PolarHBondContact O-N 3.22Å; K54-N58 PolarHBondContact O-ND2 3.02Å; K54-D99 IonicContact NZ-OD1 3.62Å; K54-D99 PolarHBondContact NZ-OD1 3.43Å; K54-D99 IonicContact NZ-OD2 3.9Å; K54-D99 PolarHBondContact NZ-OD2 2.87Å
55	E	85.3	Confident	77.2	Confident	97 Å²	97	87.7 Å²	87.7	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-40.4	178.9	-64.5	169.9	163	0	0	110.7	P51 I52 N53 N58 T59	P51-E55 VanDerWaalsContact CA-OE2 3.27Å; P51-E55 WeakPolarHBondContact CA-OE2 3.48Å; P51-E55 HydrophobicContact CB-CB 4.19Å; I52-E55 PolarHBondContact N-OE2 3.27Å; I52-E55 WeakPolarHBondContact O-CA 3.48Å; I52-E55 WeakPolarHBondContact O-CB 3.49Å; I52-E55 PolarHBondContact O-N 3.43Å; N53-E55 PolarHBondContact O-N 3.3Å; E55-N58 PolarHBondContact O-N 2.91Å; E55-T59 WeakPolarHBondContact O-CB 3.26Å; E55-T59 PolarHBondContact O-N 3.43Å; E55-T59 PolarHBondContact O-OG1 3.31Å; E55-T59 VanDerWaalsContact O-OG1 3.11Å
56	V	87.1	Confident	80.1	Confident	42 Å²	42	90.1 Å²	90.1	26%	0.255	46%	0.464	S	S	.	.	H	α-helix	trans	-60	-51	173.9	-178.4	0	0	0	0	110.7	L36 P51 I52 N53 N58 T59 I60	L36-V56 HydrophobicContact CD2-CB 4.26Å; L36-V56 HydrophobicContact CD2-CG1 4.35Å; L36-V56 HydrophobicContact CD2-CG2 4.15Å; P51-V56 HydrophobicContact CB-CG2 3.98Å; P51-V56 HydrophobicContact CG-CG2 3.85Å; I52-V56 PolarHBondContact O-N 3.14Å; I52-V56 VanDerWaalsContact O-N 3.14Å; N53-V56 PolarHBondContact O-N 3.41Å; V56-N58 PolarHBondContact O-N 3.22Å; V56-T59 PolarHBondContact O-N 2.96Å; V56-I60 HydrophobicContact CG1-CD1 4Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.47Å
57	M	90.5	Very high	82.7	Confident	85 Å²	85	83 Å²	83	42%	0.419	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-42.9	178.5	-68.8	-56.2	-61.8	0	0	111.8	N53 T59 I60 E61	N53-M57 VanDerWaalsContact O-CG 3.31Å; N53-M57 WeakPolarHBondContact O-CG 3.24Å; N53-M57 PolarHBondContact O-N 3.39Å; M57-T59 VanDerWaalsContact C-N 3.33Å; M57-T59 PolarHBondContact O-N 3.43Å; M57-I60 WeakPolarHBondContact O-CB 3.2Å; M57-I60 PolarHBondContact O-N 2.89Å; M57-I60 HydrophobicContact SD-CD1 4.25Å; M57-E61 VanDerWaalsContact O-CG 3.31Å; M57-E61 WeakPolarHBondContact O-CG 3.44Å; M57-E61 PolarHBondContact O-N 2.64Å
58	N	89.6	Confident	85	Confident	51 Å²	51	79.5 Å²	79.5	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-42.8	175.4	-78.6	-11.4	0	0	0	111.9	K54 E55 V56 E61 V62 V83	K54-N58 VanDerWaalsContact O-CB 3.23Å; K54-N58 WeakPolarHBondContact O-CB 3.33Å; K54-N58 PolarHBondContact O-N 3.22Å; K54-N58 PolarHBondContact O-ND2 3.02Å; E55-N58 PolarHBondContact O-N 2.91Å; V56-N58 PolarHBondContact O-N 3.22Å; N58-E61 PolarHBondContact O-N 3.38Å; N58-V62 VanDerWaalsContact O-CG2 3.23Å; N58-V62 WeakPolarHBondContact O-CG2 3.27Å; N58-V62 PolarHBondContact O-N 3.26Å; N58-V83 HydrophobicContact CB-CB 4.17Å; N58-V83 HydrophobicContact CB-CG1 3.97Å; N58-V83 HydrophobicContact CB-CG2 4.13Å
59	T	87	Confident	86.9	Confident	10 Å²	10	76.5 Å²	76.5	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-39.1	178.3	-66.5	0	0	0	0	111.7	F32 D35 L36 E55 V56 M57 V62 H63 R69	F32-T59 HydrophobicContact CD2-CG2 4.04Å; F32-T59 HydrophobicContact CE2-CG2 3.86Å; D35-T59 HydrophobicContact CB-CG2 3.83Å; L36-T59 HydrophobicContact CD2-CG2 3.7Å; L36-T59 HydrophobicContact CG-CG2 3.97Å; E55-T59 WeakPolarHBondContact O-CB 3.26Å; E55-T59 PolarHBondContact O-N 3.43Å; E55-T59 PolarHBondContact O-OG1 3.31Å; E55-T59 VanDerWaalsContact O-OG1 3.11Å; V56-T59 PolarHBondContact O-N 2.96Å; M57-T59 VanDerWaalsContact C-N 3.33Å; M57-T59 PolarHBondContact O-N 3.43Å; T59-V62 PolarHBondContact O-N 3.4Å; T59-H63 VanDerWaalsContact O-CB 3.3Å; T59-H63 WeakPolarHBondContact O-CB 3.41Å; T59-H63 PolarHBondContact O-N 3.08Å; T59-R69 PolarHBondContact OG1-NH2 3.37Å; T59-R69 VanDerWaalsContact OG1-NH2 3.16Å
60	I	90.7	Very high	88.4	Confident	47 Å²	47	70.6 Å²	70.6	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-57.2	-53.1	170.6	-71.1	169.1	0	0	0	110.3	F32 V56 M57 V62 H63 F64	F32-I60 HydrophobicContact CE2-CG1 3.8Å; F32-I60 HydrophobicContact CZ-CG1 3.72Å; V56-I60 HydrophobicContact CG1-CD1 4Å; V56-I60 VanDerWaalsContact O-CG1 3.32Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.47Å; M57-I60 WeakPolarHBondContact O-CB 3.2Å; M57-I60 PolarHBondContact O-N 2.89Å; M57-I60 HydrophobicContact SD-CD1 4.25Å; I60-V62 VanDerWaalsContact C-N 3.29Å; I60-V62 PolarHBondContact O-N 2.89Å; I60-H63 WeakPolarHBondContact O-CB 3.46Å; I60-H63 PolarHBondContact O-N 3.21Å; I60-H63 VanDerWaalsContact O-N 3.09Å; I60-F64 HydrophobicContact CG2-CD2 3.7Å; I60-F64 HydrophobicContact CG2-CE2 3.84Å; I60-F64 VanDerWaalsContact O-CD2 3.22Å; I60-F64 WeakPolarHBondContact O-CD2 3.37Å; I60-F64 PolarHBondContact O-N 3.24Å
61	E	92.4	Very high	89.6	Confident	58 Å²	58	65.6 Å²	65.6	27%	0.271	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-37	-178.4	-69.9	-65.3	147	0	0	112.3	M57 N58 G65 R66 A67	M57-E61 VanDerWaalsContact O-CG 3.31Å; M57-E61 WeakPolarHBondContact O-CG 3.44Å; M57-E61 PolarHBondContact O-N 2.64Å; N58-E61 PolarHBondContact O-N 3.38Å; E61-G65 PolarHBondContact O-N 3.17Å; E61-R66 PolarHBondContact O-N 3.49Å; E61-R66 IonicContact OE1-NH1 3.21Å; E61-R66 WeakPolarHBondContact OE2-CB 3.34Å; E61-R66 WeakPolarHBondContact OE2-CD 2.95Å; E61-A67 HydrophobicContact CB-CB 3.75Å; E61-A67 PolarHBondContact O-N 3.39Å
62	V	91.4	Very high	90.6	Very high	27 Å²	27	64 Å²	64	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-67	-44.6	173.4	170.9	0	0	0	0	111.1	N58 T59 I60 F64 G65 A67 R69 V83	N58-V62 VanDerWaalsContact O-CG2 3.23Å; N58-V62 WeakPolarHBondContact O-CG2 3.27Å; N58-V62 PolarHBondContact O-N 3.26Å; T59-V62 PolarHBondContact O-N 3.4Å; I60-V62 VanDerWaalsContact C-N 3.29Å; I60-V62 PolarHBondContact O-N 2.89Å; V62-F64 VanDerWaalsContact C-N 3.3Å; V62-F64 PolarHBondContact O-N 2.93Å; V62-G65 PolarHBondContact O-N 3.42Å; V62-A67 HydrophobicContact CG2-CB 3.94Å; V62-R69 HydrophobicContact CB-CG 4.48Å; V62-R69 HydrophobicContact CG1-CG 3.94Å; V62-R69 HydrophobicContact CG2-CG 3.73Å; V62-V83 HydrophobicContact CG2-CG1 3.76Å
63	H	88.3	Confident	91	Very high	98 Å²	98	59.9 Å²	59.9	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-38.3	-178.7	-167.1	83.3	0	0	0	112.1	F32 T59 I60 G65	F32-H63 HydrophobicContact CD2-CB 4.2Å; T59-H63 VanDerWaalsContact O-CB 3.3Å; T59-H63 WeakPolarHBondContact O-CB 3.41Å; T59-H63 PolarHBondContact O-N 3.08Å; I60-H63 WeakPolarHBondContact O-CB 3.46Å; I60-H63 PolarHBondContact O-N 3.21Å; I60-H63 VanDerWaalsContact O-N 3.09Å; H63-G65 VanDerWaalsContact C-N 3.25Å; H63-G65 PolarHBondContact O-N 3.34Å
64	F	90.4	Very high	91.2	Very high	140 Å²	140	55.7 Å²	55.7	61%	0.614	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	7.1	175.3	-71.5	-71	0	0	0	114.1	I60 V62 R66	I60-F64 HydrophobicContact CG2-CD2 3.7Å; I60-F64 HydrophobicContact CG2-CE2 3.84Å; I60-F64 VanDerWaalsContact O-CD2 3.22Å; I60-F64 WeakPolarHBondContact O-CD2 3.37Å; I60-F64 PolarHBondContact O-N 3.24Å; V62-F64 VanDerWaalsContact C-N 3.3Å; V62-F64 PolarHBondContact O-N 2.93Å; F64-R66 HydrophobicContact CB-CG 4.42Å; F64-R66 PolarHBondContact O-N 3.43Å
65	G	91	Very high	91	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	21	176.5	0	0	0	0	0	114.5	E61 V62 H63 V86	E61-G65 PolarHBondContact O-N 3.17Å; V62-G65 PolarHBondContact O-N 3.42Å; H63-G65 VanDerWaalsContact C-N 3.25Å; H63-G65 PolarHBondContact O-N 3.34Å; G65-V86 WeakPolarHBondContact O-CG2 3.35Å
66	R	94	Very high	91	Very high	158 Å²	158	55 Å²	55	60%	0.596	30%	0.299	S	S	*	.	S	Bend	trans	-93.3	-23.9	177.6	-66.5	178.6	178.6	-179.2	0.5	112.5	E61 F64 V86	E61-R66 PolarHBondContact O-N 3.49Å; E61-R66 IonicContact OE1-NH1 3.21Å; E61-R66 WeakPolarHBondContact OE2-CB 3.34Å; E61-R66 WeakPolarHBondContact OE2-CD 2.95Å; F64-R66 HydrophobicContact CB-CG 4.42Å; F64-R66 PolarHBondContact O-N 3.43Å; R66-V86 WeakPolarHBondContact O-CG2 3.27Å; R66-V86 PolarHBondContact O-N 2.96Å
67	A	95.1	Very high	90.8	Very high	10 Å²	10	55.4 Å²	55.4	8%	0.083	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.6	171.6	0	0	0	0	0	111.5	E61 V62 V83 V84	E61-A67 HydrophobicContact CB-CB 3.75Å; E61-A67 PolarHBondContact O-N 3.39Å; V62-A67 HydrophobicContact CG2-CB 3.94Å; A67-V83 HydrophobicContact CB-CG1 3.73Å; A67-V84 CarbonylContact C-O 3.55Å; A67-V84 VanDerWaalsContact CA-O 3.24Å; A67-V84 WeakPolarHBondContact CA-O 3.25Å; A67-V84 WeakPolarHBondContact CB-O 3.44Å
68	M	94.5	Very high	90.6	Very high	10 Å²	10	53 Å²	53	5%	0.049	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.6	173.2	59	179.6	174.1	0	0	110.6	L70 V84 L176 I181 N183	M68-L70 HydrophobicContact CE-CD1 4.4Å; M68-L70 HydrophobicContact CG-CD2 4.44Å; M68-L70 HydrophobicContact CG-CG 4.5Å; M68-L70 HydrophobicContact SD-CD2 4.24Å; M68-V84 HydrophobicContact CE-CG2 3.59Å; M68-V84 HydrophobicContact CG-CG2 3.7Å; M68-V84 PolarHBondContact N-O 3.23Å; M68-V84 PolarHBondContact O-N 2.84Å; M68-V84 HydrophobicContact SD-CG2 4.49Å; M68-L176 HydrophobicContact CE-CB 3.88Å; M68-L176 HydrophobicContact CE-CD1 3.34Å; M68-L176 HydrophobicContact CE-CG 4.24Å; M68-I181 HydrophobicContact CE-CG2 4.42Å; M68-N183 HydrophobicContact CB-CB 4.02Å
69	R	94.4	Very high	90.7	Very high	76 Å²	76	58 Å²	58	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.1	172	-66.4	-176.8	169.2	-172.7	-3.7	108.9	D35 T59 V62 L82 V83 N183 G184	D35-R69 IonicContact OD1-CZ 2.84Å; D35-R69 IonicContact OD1-NH1 3.05Å; D35-R69 PolarHBondContact OD1-NH1 3.38Å; D35-R69 IonicContact OD1-NH2 2.56Å; T59-R69 PolarHBondContact OG1-NH2 3.37Å; T59-R69 VanDerWaalsContact OG1-NH2 3.16Å; V62-R69 HydrophobicContact CB-CG 4.48Å; V62-R69 HydrophobicContact CG1-CG 3.94Å; V62-R69 HydrophobicContact CG2-CG 3.73Å; R69-L82 CarbonylContact C-O 3.58Å; R69-L82 WeakPolarHBondContact CA-O 3.47Å; R69-V83 HydrophobicContact CG-CG2 4.29Å; R69-N183 PolarHBondContact N-OD1 2.94Å; R69-N183 PolarHBondContact O-OD1 3.23Å; R69-G184 PolarHBondContact O-N 2.95Å
70	L	95.2	Very high	90.9	Very high	2 Å²	2	58 Å²	58	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	164.7	172.9	-53.6	174.9	0	0	0	108.5	M68 L82 V84 L93 L176 I181 R182 A185 I187	M68-L70 HydrophobicContact CE-CD1 4.4Å; M68-L70 HydrophobicContact CG-CD2 4.44Å; M68-L70 HydrophobicContact CG-CG 4.5Å; M68-L70 HydrophobicContact SD-CD2 4.24Å; L70-L82 HydrophobicContact CB-CB 4.17Å; L70-L82 PolarHBondContact N-O 3.32Å; L70-L82 PolarHBondContact O-N 2.96Å; L70-V84 HydrophobicContact CD1-CG2 3.63Å; L70-V84 HydrophobicContact CG-CG2 4.19Å; L70-L93 HydrophobicContact CD1-CD1 3.65Å; L70-L176 HydrophobicContact CD1-CD1 4.36Å; L70-I181 HydrophobicContact CD1-CG2 4.29Å; L70-I181 HydrophobicContact CD2-CG2 3.78Å; L70-R182 WeakPolarHBondContact CD2-O 3.46Å; L70-A185 WeakPolarHBondContact CA-O 3.37Å; L70-A185 HydrophobicContact CD2-CB 3.95Å; L70-I187 HydrophobicContact CD1-CG1 4.42Å
71	T	94.9	Very high	91	Very high	42 Å²	42	60.9 Å²	60.9	26%	0.258	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.2	175.8	-58.3	0	0	0	0	109.9	R79 A185 M186 I187	T71-R79 HydrophobicContact CG2-CB 3.85Å; T71-R79 HydrophobicContact CG2-CG 4.25Å; T71-A185 PolarHBondContact N-O 2.66Å; T71-M186 CarbonylContact O-C 3.57Å; T71-M186 WeakPolarHBondContact O-CA 3.34Å; T71-I187 PolarHBondContact O-N 3.21Å
72	L	95.1	Very high	91.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.4	167.8	-179.5	66.7	0	0	0	109.5	R74 R79 L80 L82 V97 V101 I187 F189	L72-R74 HydrophobicContact CD2-CG 4.19Å; L72-R74 HydrophobicContact CG-CG 4.35Å; L72-R79 CarbonylContact O-C 3.51Å; L72-R79 WeakPolarHBondContact O-CA 3.39Å; L72-L80 HydrophobicContact CB-CB 4.24Å; L72-L80 HydrophobicContact CD2-CD1 4.34Å; L72-L80 PolarHBondContact N-O 3.1Å; L72-L80 PolarHBondContact O-N 2.91Å; L72-L82 HydrophobicContact CB-CD1 3.96Å; L72-L82 HydrophobicContact CB-CD2 4.39Å; L72-L82 HydrophobicContact CB-CG 4.11Å; L72-V97 HydrophobicContact CD1-CG1 4.4Å; L72-V97 HydrophobicContact CD1-CG2 4.13Å; L72-V97 HydrophobicContact CD2-CG1 3.83Å; L72-V97 HydrophobicContact CD2-CG2 4.32Å; L72-V101 HydrophobicContact CD2-CG2 3.65Å; L72-I187 CarbonylContact C-O 3.58Å; L72-I187 WeakPolarHBondContact CA-O 3.34Å; L72-F189 HydrophobicContact CD1-CD2 4.38Å; L72-F189 HydrophobicContact CD1-CE2 4.06Å; L72-F189 HydrophobicContact CD2-CE2 4.15Å
73	L	92.8	Very high	91.3	Very high	29 Å²	29	58.9 Å²	58.9	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106	166.6	-178	65	0	0	0	109.1	R79 P163 M186 I187 T188	L73-R79 HydrophobicContact CD1-CG 4.05Å; L73-P163 HydrophobicContact CD2-CB 4.31Å; L73-P163 HydrophobicContact CD2-CG 4.39Å; L73-M186 HydrophobicContact CB-CE 4.01Å; L73-M186 HydrophobicContact CD1-CE 4.48Å; L73-M186 HydrophobicContact CD2-CE 3.98Å; L73-M186 HydrophobicContact CG-CE 4.39Å; L73-I187 PolarHBondContact N-O 3.36Å; L73-T188 WeakPolarHBondContact O-CB 3.49Å; L73-T188 PolarHBondContact O-OG1 3.16Å
74	R	89.1	Confident	91.7	Very high	36 Å²	36	54.3 Å²	54.3	14%	0.136	31%	0.309	C	S	.	.			trans	-74.4	162.3	173.2	-71.4	169.6	48.4	149.4	6.1	110.8	L72 D76 G77 V78 L80	L72-R74 HydrophobicContact CD2-CG 4.19Å; L72-R74 HydrophobicContact CG-CG 4.35Å; R74-D76 WeakPolarHBondContact CB-OD1 3.36Å; R74-D76 IonicContact CZ-OD1 3.24Å; R74-D76 IonicContact CZ-OD2 3.1Å; R74-D76 VanDerWaalsContact CZ-OD2 3.24Å; R74-D76 IonicContact NE-OD1 2.66Å; R74-D76 PolarHBondContact NE-OD1 2.94Å; R74-D76 VanDerWaalsContact NE-OD1 3.1Å; R74-D76 IonicContact NE-OD2 3.79Å; R74-D76 PolarHBondContact NE-OD2 3.18Å; R74-D76 IonicContact NH2-OD2 3.69Å; R74-D76 PolarHBondContact NH2-OD2 3.37Å; R74-D76 PolarHBondContact O-N 2.87Å; R74-G77 PolarHBondContact O-N 2.84Å; R74-G77 VanDerWaalsContact O-N 3.16Å; R74-V78 HydrophobicContact CB-CB 4.36Å; R74-V78 WeakPolarHBondContact CB-O 3.41Å; R74-V78 PolarHBondContact N-O 3.27Å; R74-L80 HydrophobicContact CG-CD1 4.48Å
75	G	83.1	Confident	91.9	Very high	90 Å²	90	50.6 Å²	50.6	93%	0.928	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.3	179.9	0	0	0	0	0	114.6	G77	G75-G77 VanDerWaalsContact C-N 3.33Å
76	D	83.7	Confident	92.1	Very high	92 Å²	92	51.6 Å²	51.6	49%	0.492	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.4	174.6	54.8	2	0	0	0	112.9	R74 V78	R74-D76 WeakPolarHBondContact CB-OD1 3.36Å; R74-D76 IonicContact CZ-OD1 3.24Å; R74-D76 IonicContact CZ-OD2 3.1Å; R74-D76 VanDerWaalsContact CZ-OD2 3.24Å; R74-D76 IonicContact NE-OD1 2.66Å; R74-D76 PolarHBondContact NE-OD1 2.94Å; R74-D76 VanDerWaalsContact NE-OD1 3.1Å; R74-D76 IonicContact NE-OD2 3.79Å; R74-D76 PolarHBondContact NE-OD2 3.18Å; R74-D76 IonicContact NH2-OD2 3.69Å; R74-D76 PolarHBondContact NH2-OD2 3.37Å; R74-D76 PolarHBondContact O-N 2.87Å; D76-V78 PolarHBondContact O-N 3.08Å; D76-V78 WeakPolarHBondContact OD1-CB 3.29Å; D76-V78 WeakPolarHBondContact OD1-CG2 3.25Å; D76-V78 PolarHBondContact OD1-N 3.21Å
77	G	83.5	Confident	92.1	Very high	50 Å²	50	49.1 Å²	49.1	52%	0.515	29%	0.292	S	S	.	.	S	Bend	trans	82.7	-9.5	179.8	0	0	0	0	0	114.4	R74 G75 R79	R74-G77 PolarHBondContact O-N 2.84Å; R74-G77 VanDerWaalsContact O-N 3.16Å; G75-G77 VanDerWaalsContact C-N 3.33Å; G77-R79 PolarHBondContact O-N 3.22Å
78	V	87.1	Confident	92.2	Very high	34 Å²	34	48.8 Å²	48.8	21%	0.206	29%	0.29	C	S	.	.			trans	-65.3	130.2	177.7	178.4	0	0	0	0	110.2	R74 D76 L80 Y104	R74-V78 HydrophobicContact CB-CB 4.36Å; R74-V78 WeakPolarHBondContact CB-O 3.41Å; R74-V78 PolarHBondContact N-O 3.27Å; D76-V78 PolarHBondContact O-N 3.08Å; D76-V78 WeakPolarHBondContact OD1-CB 3.29Å; D76-V78 WeakPolarHBondContact OD1-CG2 3.25Å; D76-V78 PolarHBondContact OD1-N 3.21Å; V78-L80 HydrophobicContact CG1-CD2 3.7Å; V78-L80 HydrophobicContact CG1-CG 4.07Å; V78-Y104 HydrophobicContact CG1-CE1 4.33Å; V78-Y104 HydrophobicContact CG1-CE2 4Å
79	R	91	Very high	92.3	Very high	155 Å²	155	53.1 Å²	53.1	59%	0.585	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.7	175.9	-65.2	-179.6	-179.8	-168.6	-0.2	109.2	T71 L72 L73 G77	T71-R79 HydrophobicContact CG2-CB 3.85Å; T71-R79 HydrophobicContact CG2-CG 4.25Å; L72-R79 CarbonylContact O-C 3.51Å; L72-R79 WeakPolarHBondContact O-CA 3.39Å; L73-R79 HydrophobicContact CD1-CG 4.05Å; G77-R79 PolarHBondContact O-N 3.22Å
80	L	91.8	Very high	92.4	Very high	11 Å²	11	49.5 Å²	49.5	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.6	177.3	-58.8	-179.9	0	0	0	110.5	L72 R74 V78 V101 Y104	L72-L80 HydrophobicContact CB-CB 4.24Å; L72-L80 HydrophobicContact CD2-CD1 4.34Å; L72-L80 PolarHBondContact N-O 3.1Å; L72-L80 PolarHBondContact O-N 2.91Å; R74-L80 HydrophobicContact CG-CD1 4.48Å; V78-L80 HydrophobicContact CG1-CD2 3.7Å; V78-L80 HydrophobicContact CG1-CG 4.07Å; L80-V101 HydrophobicContact CD1-CB 4.44Å; L80-V101 HydrophobicContact CD1-CG2 3.81Å; L80-Y104 HydrophobicContact CD1-CG 4.25Å; L80-Y104 HydrophobicContact CD2-CD1 4.45Å; L80-Y104 HydrophobicContact CD2-CD2 3.46Å; L80-Y104 VanDerWaalsContact CD2-CD2 3.46Å; L80-Y104 HydrophobicContact CD2-CE2 4.07Å; L80-Y104 HydrophobicContact CD2-CG 3.67Å
81	P	92.8	Very high	92.5	Very high	107 Å²	107	51.6 Å²	51.6	70%	0.695	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	139.8	173.6	29.4	-33.6	0	0	0	110
82	L	94.9	Very high	92.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.6	173.2	-57.1	177.1	0	0	0	108.7	R69 L70 L72 L93 V97 A100	R69-L82 CarbonylContact C-O 3.58Å; R69-L82 WeakPolarHBondContact CA-O 3.47Å; L70-L82 HydrophobicContact CB-CB 4.17Å; L70-L82 PolarHBondContact N-O 3.32Å; L70-L82 PolarHBondContact O-N 2.96Å; L72-L82 HydrophobicContact CB-CD1 3.96Å; L72-L82 HydrophobicContact CB-CD2 4.39Å; L72-L82 HydrophobicContact CB-CG 4.11Å; L82-L93 HydrophobicContact CD1-CD1 3.94Å; L82-V97 HydrophobicContact CD1-CG2 3.63Å; L82-V97 HydrophobicContact CD2-CG2 4.27Å; L82-A100 HydrophobicContact CD2-CB 3.39Å
83	V	94.7	Very high	92.6	Very high	40 Å²	40	51.5 Å²	51.5	24%	0.242	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.7	170.2	-177.7	0	0	0	0	108.2	N58 V62 A67 R69	N58-V83 HydrophobicContact CB-CB 4.17Å; N58-V83 HydrophobicContact CB-CG1 3.97Å; N58-V83 HydrophobicContact CB-CG2 4.13Å; V62-V83 HydrophobicContact CG2-CG1 3.76Å; A67-V83 HydrophobicContact CB-CG1 3.73Å; R69-V83 HydrophobicContact CG-CG2 4.29Å
84	V	96.1	Very high	92.8	Very high	2 Å²	2	51 Å²	51	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.9	179.3	-64.7	0	0	0	0	110.4	A67 M68 L70 A88 L93 A96 L176	A67-V84 CarbonylContact C-O 3.55Å; A67-V84 VanDerWaalsContact CA-O 3.24Å; A67-V84 WeakPolarHBondContact CA-O 3.25Å; A67-V84 WeakPolarHBondContact CB-O 3.44Å; M68-V84 HydrophobicContact CE-CG2 3.59Å; M68-V84 HydrophobicContact CG-CG2 3.7Å; M68-V84 PolarHBondContact N-O 3.23Å; M68-V84 PolarHBondContact O-N 2.84Å; M68-V84 HydrophobicContact SD-CG2 4.49Å; L70-V84 HydrophobicContact CD1-CG2 3.63Å; L70-V84 HydrophobicContact CG-CG2 4.19Å; V84-A88 HydrophobicContact CB-CB 4.08Å; V84-A88 HydrophobicContact CG2-CB 4.4Å; V84-L93 HydrophobicContact CG1-CD1 4.06Å; V84-A96 HydrophobicContact CG1-CB 3.57Å; V84-L176 HydrophobicContact CG2-CD1 3.96Å
85	P	95.7	Very high	93	Very high	62 Å²	62	56 Å²	56	40%	0.403	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	148.8	171.2	-25.7	33.7	0	0	0	112.4	D87 A88	P85-D87 WeakPolarHBondContact CB-OD1 3.41Å; P85-D87 PolarHBondContact O-N 3Å; P85-A88 HydrophobicContact CB-CB 4.26Å; P85-A88 WeakPolarHBondContact O-CB 3.41Å; P85-A88 PolarHBondContact O-N 3.09Å; P85-A88 VanDerWaalsContact O-N 3.08Å
86	V	94.7	Very high	93.6	Very high	73 Å²	73	52.6 Å²	52.6	44%	0.442	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29	179.6	169.8	0	0	0	0	112.3	G65 R66	G65-V86 WeakPolarHBondContact O-CG2 3.35Å; R66-V86 WeakPolarHBondContact O-CG2 3.27Å; R66-V86 PolarHBondContact O-N 2.96Å
87	D	94.6	Very high	94.2	Very high	106 Å²	106	48.2 Å²	48.2	57%	0.567	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9.6	177.7	71.1	-30.9	0	0	0	113.9	P85	P85-D87 WeakPolarHBondContact CB-OD1 3.41Å; P85-D87 PolarHBondContact O-N 3Å
88	A	96.1	Very high	94.7	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	24%	0.239	C	C	.	.			trans	-54.3	149.1	-178.6	0	0	0	0	0	112.6	V84 P85 E92 K175 L176	V84-A88 HydrophobicContact CB-CB 4.08Å; V84-A88 HydrophobicContact CG2-CB 4.4Å; P85-A88 HydrophobicContact CB-CB 4.26Å; P85-A88 WeakPolarHBondContact O-CB 3.41Å; P85-A88 PolarHBondContact O-N 3.09Å; P85-A88 VanDerWaalsContact O-N 3.08Å; A88-E92 HydrophobicContact CB-CB 4.08Å; A88-K175 WeakPolarHBondContact O-CA 3.23Å; A88-L176 HydrophobicContact CB-CD1 3.92Å; A88-L176 HydrophobicContact CB-CG 4.46Å; A88-L176 WeakPolarHBondContact O-CG 3.32Å; A88-L176 PolarHBondContact O-N 3.16Å
89	R	97.2	Very high	94.9	Very high	100 Å²	100	50 Å²	50	38%	0.377	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-97.3	171.7	169.7	-44.5	166.9	-75	-167.3	-5.4	109.7	L91 E92 L93 L172 T173 N174 K175	R89-L91 PolarHBondContact O-N 2.66Å; R89-E92 WeakPolarHBondContact CA-OE2 3.31Å; R89-E92 WeakPolarHBondContact CB-OE2 3.45Å; R89-E92 IonicContact CZ-OE1 3.24Å; R89-E92 VanDerWaalsContact CZ-OE1 3.24Å; R89-E92 PolarHBondContact N-OE2 2.98Å; R89-E92 IonicContact NE-OE1 2.98Å; R89-E92 PolarHBondContact NE-OE1 2.84Å; R89-E92 IonicContact NE-OE2 3.3Å; R89-E92 PolarHBondContact NE-OE2 3.14Å; R89-E92 IonicContact NH2-OE1 2.68Å; R89-E92 PolarHBondContact NH2-OE1 3.45Å; R89-E92 PolarHBondContact O-N 3.26Å; R89-L93 PolarHBondContact O-N 2.81Å; R89-L93 VanDerWaalsContact O-N 3.1Å; R89-L172 WeakPolarHBondContact CB-O 3.15Å; R89-T173 WeakPolarHBondContact CD-O 3.39Å; R89-N174 CarbonylContact C-O 3.53Å; R89-N174 WeakPolarHBondContact CA-O 3.31Å; R89-N174 VanDerWaalsContact CB-O 3.31Å; R89-N174 WeakPolarHBondContact CB-O 3.19Å; R89-K175 HydrophobicContact CG-CG 4.36Å
90	V	96.4	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-29.8	174.8	173.5	0	0	0	0	111.3	R94 L169 V171 L172 N174 L176	V90-R94 WeakPolarHBondContact O-CG 3.3Å; V90-R94 PolarHBondContact O-N 2.94Å; V90-L169 HydrophobicContact CG1-CB 3.8Å; V90-L169 WeakPolarHBondContact CG1-O 3Å; V90-L169 HydrophobicContact CG2-CB 3.89Å; V90-L169 HydrophobicContact CG2-CD2 4.45Å; V90-V171 WeakPolarHBondContact CB-O 3.47Å; V90-L172 HydrophobicContact CG1-CD2 3.97Å; V90-N174 PolarHBondContact N-O 3.39Å; V90-L176 HydrophobicContact CG2-CD2 4.01Å
91	L	96.6	Very high	95	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-50.8	173.9	-177.5	60.6	0	0	0	112.6	R89 L93 R94 W95 L172	R89-L91 PolarHBondContact O-N 2.66Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 3.03Å; L91-R94 WeakPolarHBondContact O-CB 3.36Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-R94 VanDerWaalsContact O-N 3.07Å; L91-W95 HydrophobicContact CD1-CZ2 4.03Å; L91-W95 HydrophobicContact CD2-CH2 3.93Å; L91-W95 HydrophobicContact CD2-CZ2 3.8Å; L91-W95 HydrophobicContact CG-CD2 4.47Å; L91-W95 HydrophobicContact CG-CH2 4.12Å; L91-W95 HydrophobicContact CG-CZ2 3.77Å; L91-W95 PolarHBondContact O-N 3.4Å; L91-W95 VanDerWaalsContact O-N 3.17Å; L91-L172 HydrophobicContact CB-CB 4.36Å; L91-L172 HydrophobicContact CD1-CD1 4.45Å; L91-L172 PolarHBondContact N-O 2.93Å
92	E	96.1	Very high	94.8	Very high	40 Å²	40	40.8 Å²	40.8	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-37	178.5	-68.1	75.4	-163.8	0	0	111	A88 R89 R94 W95 A96	A88-E92 HydrophobicContact CB-CB 4.08Å; R89-E92 WeakPolarHBondContact CA-OE2 3.31Å; R89-E92 WeakPolarHBondContact CB-OE2 3.45Å; R89-E92 IonicContact CZ-OE1 3.24Å; R89-E92 VanDerWaalsContact CZ-OE1 3.24Å; R89-E92 PolarHBondContact N-OE2 2.98Å; R89-E92 IonicContact NE-OE1 2.98Å; R89-E92 PolarHBondContact NE-OE1 2.84Å; R89-E92 IonicContact NE-OE2 3.3Å; R89-E92 PolarHBondContact NE-OE2 3.14Å; R89-E92 IonicContact NH2-OE1 2.68Å; R89-E92 PolarHBondContact NH2-OE1 3.45Å; R89-E92 PolarHBondContact O-N 3.26Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.11Å; E92-W95 HydrophobicContact CG-CE3 4.28Å; E92-W95 HydrophobicContact CG-CZ3 4.31Å; E92-W95 PolarHBondContact O-N 2.87Å; E92-A96 PolarHBondContact O-N 3.46Å
93	L	97	Very high	94.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-38.9	172.9	-177.8	61.5	0	0	0	112.2	L70 L82 V84 R89 L91 A96 V97 L148 L169 L176 I187	L70-L93 HydrophobicContact CD1-CD1 3.65Å; L82-L93 HydrophobicContact CD1-CD1 3.94Å; V84-L93 HydrophobicContact CG1-CD1 4.06Å; R89-L93 PolarHBondContact O-N 2.81Å; R89-L93 VanDerWaalsContact O-N 3.1Å; L91-L93 VanDerWaalsContact C-N 3.27Å; L91-L93 PolarHBondContact O-N 3.03Å; L93-A96 PolarHBondContact O-N 3.22Å; L93-V97 WeakPolarHBondContact O-CG2 3.42Å; L93-V97 PolarHBondContact O-N 3.29Å; L93-L148 HydrophobicContact CB-CD1 4.42Å; L93-L148 HydrophobicContact CD2-CD1 3.83Å; L93-L148 HydrophobicContact CG-CD1 3.67Å; L93-L169 HydrophobicContact CD2-CD1 3.71Å; L93-L176 HydrophobicContact CB-CD1 4.21Å; L93-L176 HydrophobicContact CB-CD2 4.08Å; L93-L176 HydrophobicContact CD2-CD1 4.39Å; L93-L176 HydrophobicContact CD2-CD2 3.67Å; L93-L176 HydrophobicContact CG-CD2 4.48Å; L93-I187 HydrophobicContact CD2-CD1 4.38Å; L93-I187 HydrophobicContact CD2-CG1 4.25Å; L93-I187 HydrophobicContact CD2-CG2 4.29Å
94	R	95.8	Very high	94.1	Very high	19 Å²	19	45.4 Å²	45.4	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-46.5	174.4	-74.7	-172.9	178.2	-169.9	-0.3	111.1	V90 L91 E92 A96 V97 Q98 W143 L148 L172	V90-R94 WeakPolarHBondContact O-CG 3.3Å; V90-R94 PolarHBondContact O-N 2.94Å; L91-R94 WeakPolarHBondContact O-CB 3.36Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-R94 VanDerWaalsContact O-N 3.07Å; E92-R94 VanDerWaalsContact C-N 3.3Å; E92-R94 PolarHBondContact O-N 3.11Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 2.89Å; R94-V97 WeakPolarHBondContact O-CB 3.39Å; R94-V97 PolarHBondContact O-N 3.43Å; R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.4Å; R94-Q98 PolarHBondContact O-N 2.8Å; R94-W143 HydrophobicContact CB-CH2 4.1Å; R94-W143 HydrophobicContact CB-CZ2 3.84Å; R94-W143 HydrophobicContact CG-CD2 4.33Å; R94-W143 HydrophobicContact CG-CE3 4.14Å; R94-W143 HydrophobicContact CG-CH2 3.79Å; R94-W143 HydrophobicContact CG-CZ2 3.97Å; R94-W143 HydrophobicContact CG-CZ3 3.88Å; R94-L148 HydrophobicContact CG-CD1 4Å; R94-L172 VanDerWaalsContact NE-CD2 3.27Å
95	W	95.3	Very high	93.6	Very high	141 Å²	141	46.2 Å²	46.2	53%	0.534	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-43.3	178.2	-62.7	-25.8	0	0	0	111.9	L91 E92 V97 Q98 D99	L91-W95 HydrophobicContact CD1-CZ2 4.03Å; L91-W95 HydrophobicContact CD2-CH2 3.93Å; L91-W95 HydrophobicContact CD2-CZ2 3.8Å; L91-W95 HydrophobicContact CG-CD2 4.47Å; L91-W95 HydrophobicContact CG-CH2 4.12Å; L91-W95 HydrophobicContact CG-CZ2 3.77Å; L91-W95 PolarHBondContact O-N 3.4Å; L91-W95 VanDerWaalsContact O-N 3.17Å; E92-W95 HydrophobicContact CG-CE3 4.28Å; E92-W95 HydrophobicContact CG-CZ3 4.31Å; E92-W95 PolarHBondContact O-N 2.87Å; W95-V97 VanDerWaalsContact C-N 3.33Å; W95-V97 PolarHBondContact O-N 2.89Å; W95-Q98 WeakPolarHBondContact O-CB 3.29Å; W95-Q98 PolarHBondContact O-N 2.92Å; W95-Q98 VanDerWaalsContact O-N 3.16Å; W95-D99 WeakPolarHBondContact O-CB 3.38Å; W95-D99 PolarHBondContact O-N 2.79Å
96	A	95	Very high	93	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-42.2	175	0	0	0	0	0	112.3	V84 E92 L93 R94 D99 A100	V84-A96 HydrophobicContact CG1-CB 3.57Å; E92-A96 PolarHBondContact O-N 3.46Å; L93-A96 PolarHBondContact O-N 3.22Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 2.89Å; A96-D99 PolarHBondContact O-N 2.8Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 3.4Å
97	V	95.5	Very high	92.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-43.6	174.1	165.6	0	0	0	0	111.7	L72 L82 L93 R94 W95 D99 V101 W143 L148 F189	L72-V97 HydrophobicContact CD1-CG1 4.4Å; L72-V97 HydrophobicContact CD1-CG2 4.13Å; L72-V97 HydrophobicContact CD2-CG1 3.83Å; L72-V97 HydrophobicContact CD2-CG2 4.32Å; L82-V97 HydrophobicContact CD1-CG2 3.63Å; L82-V97 HydrophobicContact CD2-CG2 4.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.42Å; L93-V97 PolarHBondContact O-N 3.29Å; R94-V97 WeakPolarHBondContact O-CB 3.39Å; R94-V97 PolarHBondContact O-N 3.43Å; W95-V97 VanDerWaalsContact C-N 3.33Å; W95-V97 PolarHBondContact O-N 2.89Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.79Å; V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 WeakPolarHBondContact O-CB 3.34Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 2.81Å; V97-W143 HydrophobicContact CB-CH2 4.38Å; V97-W143 HydrophobicContact CG1-CH2 3.98Å; V97-W143 HydrophobicContact CG1-CZ2 4.34Å; V97-L148 HydrophobicContact CG1-CD2 4.47Å; V97-L148 HydrophobicContact CG2-CD1 3.94Å; V97-L148 HydrophobicContact CG2-CD2 4.19Å; V97-F189 HydrophobicContact CG1-CE1 4Å; V97-F189 HydrophobicContact CG1-CE2 4.36Å; V97-F189 HydrophobicContact CG1-CZ 3.47Å; V97-F189 VanDerWaalsContact CG1-CZ 3.47Å
98	Q	94.6	Very high	91.7	Very high	42 Å²	42	46 Å²	46	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-46.6	179.2	-67.1	-179.5	-76.2	0	0	111.5	R94 W95 T102 W139 W143	R94-Q98 VanDerWaalsContact O-CG 3.29Å; R94-Q98 WeakPolarHBondContact O-CG 3.4Å; R94-Q98 PolarHBondContact O-N 2.8Å; W95-Q98 WeakPolarHBondContact O-CB 3.29Å; W95-Q98 PolarHBondContact O-N 2.92Å; W95-Q98 VanDerWaalsContact O-N 3.16Å; Q98-T102 VanDerWaalsContact O-CB 3.25Å; Q98-T102 WeakPolarHBondContact O-CB 3.49Å; Q98-T102 PolarHBondContact O-N 3.49Å; Q98-T102 PolarHBondContact O-OG1 2.99Å; Q98-W139 HydrophobicContact CB-CD2 4.21Å; Q98-W139 HydrophobicContact CB-CE3 4.48Å; Q98-W139 HydrophobicContact CB-CH2 4.29Å; Q98-W139 HydrophobicContact CB-CZ2 4.01Å; Q98-W139 HydrophobicContact CG-CD2 3.61Å; Q98-W139 HydrophobicContact CG-CE3 3.61Å; Q98-W139 HydrophobicContact CG-CG 4.15Å; Q98-W139 HydrophobicContact CG-CH2 4.15Å; Q98-W139 HydrophobicContact CG-CZ2 4.16Å; Q98-W139 HydrophobicContact CG-CZ3 3.87Å; Q98-W143 HydrophobicContact CG-CZ2 3.76Å; Q98-W143 VanDerWaalsContact NE2-NE1 3.2Å
99	D	92	Very high	90.7	Very high	80 Å²	80	48.2 Å²	48.2	43%	0.428	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-48.7	-179.4	179.9	77.8	0	0	0	111.5	K54 W95 A96 V97 V101 T102 S103	K54-D99 IonicContact NZ-OD1 3.62Å; K54-D99 PolarHBondContact NZ-OD1 3.43Å; K54-D99 IonicContact NZ-OD2 3.9Å; K54-D99 PolarHBondContact NZ-OD2 2.87Å; W95-D99 WeakPolarHBondContact O-CB 3.38Å; W95-D99 PolarHBondContact O-N 2.79Å; A96-D99 PolarHBondContact O-N 2.8Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.79Å; D99-V101 PolarHBondContact O-N 3.16Å; D99-T102 PolarHBondContact O-N 3.27Å; D99-S103 WeakPolarHBondContact O-CB 3.49Å; D99-S103 PolarHBondContact O-N 3.11Å
100	A	91.6	Very high	89.5	Confident	17 Å²	17	47.2 Å²	47.2	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-43.7	179.1	0	0	0	0	0	112.9	L82 A96 Y104	L82-A100 HydrophobicContact CD2-CB 3.39Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 3.4Å; A100-Y104 WeakPolarHBondContact O-CB 3.34Å; A100-Y104 PolarHBondContact O-N 3.13Å
101	V	91.8	Very high	88.3	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-67.3	-41.1	177	173.7	0	0	0	0	110.8	L72 L80 V97 D99 Y104 M105 I137 W139	L72-V101 HydrophobicContact CD2-CG2 3.65Å; L80-V101 HydrophobicContact CD1-CB 4.44Å; L80-V101 HydrophobicContact CD1-CG2 3.81Å; V97-V101 HydrophobicContact CG1-CG2 4.38Å; V97-V101 WeakPolarHBondContact O-CB 3.34Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.47Å; V97-V101 PolarHBondContact O-N 2.81Å; D99-V101 PolarHBondContact O-N 3.16Å; V101-Y104 PolarHBondContact O-N 3.02Å; V101-M105 HydrophobicContact CG1-CG 4.28Å; V101-M105 WeakPolarHBondContact O-CB 3.34Å; V101-M105 WeakPolarHBondContact O-CG 3.23Å; V101-M105 PolarHBondContact O-N 2.85Å; V101-I137 HydrophobicContact CG1-CD1 3.43Å; V101-I137 VanDerWaalsContact CG1-CD1 3.43Å; V101-W139 HydrophobicContact CB-CH2 3.73Å; V101-W139 HydrophobicContact CB-CZ2 3.98Å; V101-W139 HydrophobicContact CG1-CH2 3.88Å; V101-W139 HydrophobicContact CG1-CZ2 4.03Å; V101-W139 HydrophobicContact CG2-CH2 4.14Å
102	T	89.9	Confident	86.7	Confident	54 Å²	54	52.5 Å²	52.5	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-43.9	178.3	-56.3	0	0	0	0	110.9	Q98 D99 M105 N106	Q98-T102 VanDerWaalsContact O-CB 3.25Å; Q98-T102 WeakPolarHBondContact O-CB 3.49Å; Q98-T102 PolarHBondContact O-N 3.49Å; Q98-T102 PolarHBondContact O-OG1 2.99Å; D99-T102 PolarHBondContact O-N 3.27Å; T102-M105 PolarHBondContact O-N 2.9Å; T102-N106 WeakPolarHBondContact O-CB 3.5Å; T102-N106 PolarHBondContact O-N 3.49Å; T102-N106 PolarHBondContact O-ND2 3.16Å; T102-N106 PolarHBondContact O-OD1 2.56Å
103	S	86	Confident	84.8	Confident	74 Å²	74	56.9 Å²	56.9	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-48.4	175.4	-171.9	0	0	0	0	111.7	D99 M105 N106 H107	D99-S103 WeakPolarHBondContact O-CB 3.49Å; D99-S103 PolarHBondContact O-N 3.11Å; S103-M105 PolarHBondContact O-N 3.31Å; S103-N106 PolarHBondContact O-N 3.42Å; S103-H107 PolarHBondContact O-N 3.05Å
104	Y	87.9	Confident	82.8	Confident	67 Å²	67	62.9 Å²	62.9	26%	0.263	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-45.8	176.5	175.6	-96.5	0	0	0	112.4	V78 L80 A100 V101 H107 L108	V78-Y104 HydrophobicContact CG1-CE1 4.33Å; V78-Y104 HydrophobicContact CG1-CE2 4Å; L80-Y104 HydrophobicContact CD1-CG 4.25Å; L80-Y104 HydrophobicContact CD2-CD1 4.45Å; L80-Y104 HydrophobicContact CD2-CD2 3.46Å; L80-Y104 VanDerWaalsContact CD2-CD2 3.46Å; L80-Y104 HydrophobicContact CD2-CE2 4.07Å; L80-Y104 HydrophobicContact CD2-CG 3.67Å; A100-Y104 WeakPolarHBondContact O-CB 3.34Å; A100-Y104 PolarHBondContact O-N 3.13Å; V101-Y104 PolarHBondContact O-N 3.02Å; Y104-H107 PolarHBondContact O-N 3.25Å; Y104-L108 HydrophobicContact CD1-CD1 3.99Å; Y104-L108 HydrophobicContact CD1-CG 4.43Å; Y104-L108 HydrophobicContact CE1-CD1 3.34Å; Y104-L108 HydrophobicContact CE1-CG 4.03Å; Y104-L108 WeakPolarHBondContact O-CG 3.22Å; Y104-L108 PolarHBondContact O-N 2.91Å
105	M	85.1	Confident	80.7	Confident	19 Å²	19	67.4 Å²	67.4	9%	0.094	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-42.2	178.2	-68.4	-60.5	-64.4	0	0	111.5	V101 T102 S103 H107 L108 Y109 I132 I137	V101-M105 HydrophobicContact CG1-CG 4.28Å; V101-M105 WeakPolarHBondContact O-CB 3.34Å; V101-M105 WeakPolarHBondContact O-CG 3.23Å; V101-M105 PolarHBondContact O-N 2.85Å; T102-M105 PolarHBondContact O-N 2.9Å; S103-M105 PolarHBondContact O-N 3.31Å; M105-H107 VanDerWaalsContact C-N 3.3Å; M105-H107 PolarHBondContact O-N 2.96Å; M105-L108 PolarHBondContact O-N 3.45Å; M105-L108 HydrophobicContact SD-CD1 4.36Å; M105-Y109 HydrophobicContact CB-CD2 4.45Å; M105-Y109 HydrophobicContact CB-CE2 4.04Å; M105-Y109 HydrophobicContact CE-CE2 3.99Å; M105-Y109 VanDerWaalsContact CE-OH 3.27Å; M105-Y109 WeakPolarHBondContact CE-OH 3.48Å; M105-Y109 WeakPolarHBondContact O-CD2 3.38Å; M105-Y109 PolarHBondContact O-N 3.44Å; M105-I132 HydrophobicContact CE-CB 4.49Å; M105-I132 HydrophobicContact CE-CD1 4.29Å; M105-I132 HydrophobicContact CE-CG2 3.94Å; M105-I137 HydrophobicContact CG-CD1 4.46Å
106	N	83.3	Confident	78.7	Confident	90 Å²	90	70.3 Å²	70.3	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-41.4	175.5	-70.2	-15.2	0	0	0	111.4	T102 S103 Y109 S110	T102-N106 WeakPolarHBondContact O-CB 3.5Å; T102-N106 PolarHBondContact O-N 3.49Å; T102-N106 PolarHBondContact O-ND2 3.16Å; T102-N106 PolarHBondContact O-OD1 2.56Å; S103-N106 PolarHBondContact O-N 3.42Å; N106-Y109 PolarHBondContact O-N 2.96Å; N106-S110 PolarHBondContact O-N 2.94Å; N106-S110 PolarHBondContact O-OG 2.85Å; N106-S110 VanDerWaalsContact O-OG 3.14Å
107	H	81.6	Confident	76.6	Confident	114 Å²	114	77 Å²	77	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.1	-172.7	67.2	0	0	0	111.7	S103 Y104 M105 Y109 S110 T111	S103-H107 PolarHBondContact O-N 3.05Å; Y104-H107 PolarHBondContact O-N 3.25Å; M105-H107 VanDerWaalsContact C-N 3.3Å; M105-H107 PolarHBondContact O-N 2.96Å; H107-Y109 VanDerWaalsContact C-N 3.32Å; H107-Y109 PolarHBondContact O-N 3.4Å; H107-S110 PolarHBondContact O-N 2.8Å; H107-T111 PolarHBondContact O-N 2.83Å; H107-T111 PolarHBondContact O-OG1 2.82Å
108	L	81.4	Confident	74.1	Confident	33 Å²	33	87 Å²	87	17%	0.173	46%	0.456	C	S	.	.	H	α-helix	trans	-59.4	-41.1	173.9	-70.2	-178.5	0	0	0	112.6	Y104 M105 T111 L112	Y104-L108 HydrophobicContact CD1-CD1 3.99Å; Y104-L108 HydrophobicContact CD1-CG 4.43Å; Y104-L108 HydrophobicContact CE1-CD1 3.34Å; Y104-L108 HydrophobicContact CE1-CG 4.03Å; Y104-L108 WeakPolarHBondContact O-CG 3.22Å; Y104-L108 PolarHBondContact O-N 2.91Å; M105-L108 PolarHBondContact O-N 3.45Å; M105-L108 HydrophobicContact SD-CD1 4.36Å; L108-T111 PolarHBondContact O-N 3.07Å; L108-T111 PolarHBondContact O-OG1 3.19Å; L108-L112 WeakPolarHBondContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CD1 3.47Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 2.95Å
109	Y	74.5	Confident	71.8	Confident	50 Å²	50	88.3 Å²	88.3	20%	0.196	48%	0.481	C	S	.	.	H	α-helix	trans	-68.4	-36.4	177.7	-67.7	-53.2	0	0	0	112.3	M105 N106 H107 N113 P133 P134	M105-Y109 HydrophobicContact CB-CD2 4.45Å; M105-Y109 HydrophobicContact CB-CE2 4.04Å; M105-Y109 HydrophobicContact CE-CE2 3.99Å; M105-Y109 VanDerWaalsContact CE-OH 3.27Å; M105-Y109 WeakPolarHBondContact CE-OH 3.48Å; M105-Y109 WeakPolarHBondContact O-CD2 3.38Å; M105-Y109 PolarHBondContact O-N 3.44Å; N106-Y109 PolarHBondContact O-N 2.96Å; H107-Y109 VanDerWaalsContact C-N 3.32Å; H107-Y109 PolarHBondContact O-N 3.4Å; Y109-N113 PolarHBondContact O-N 3.31Å; Y109-N113 PolarHBondContact O-ND2 2.91Å; Y109-P133 PolarHBondContact OH-O 3.39Å; Y109-P134 HydrophobicContact CE1-CB 4.25Å; Y109-P134 WeakPolarHBondContact OH-CA 3.46Å
110	S	73.2	Confident	69.3	Low	79 Å²	79	94.4 Å²	94.4	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-65.1	-40.8	175.5	-65.5	0	0	0	0	111.9	N106 H107	N106-S110 PolarHBondContact O-N 2.94Å; N106-S110 PolarHBondContact O-OG 2.85Å; N106-S110 VanDerWaalsContact O-OG 3.14Å; H107-S110 PolarHBondContact O-N 2.8Å
111	T	70.1	Confident	67	Low	73 Å²	73	97.1 Å²	97.1	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-73.4	-34.7	178.7	55.3	0	0	0	0	112.8	H107 L108 N113 L114	H107-T111 PolarHBondContact O-N 2.83Å; H107-T111 PolarHBondContact O-OG1 2.82Å; L108-T111 PolarHBondContact O-N 3.07Å; L108-T111 PolarHBondContact O-OG1 3.19Å; T111-N113 VanDerWaalsContact C-N 3.26Å; T111-N113 PolarHBondContact O-N 3.38Å; T111-L114 PolarHBondContact O-N 2.97Å
112	L	63.6	Low	64.2	Low	85 Å²	85	101 Å²	101	45%	0.445	58%	0.578	S	S	.	*	H	α-helix	trans	-66.2	-24.5	175.7	-87.5	155.6	0	0	0	113.9	L108	L108-L112 WeakPolarHBondContact O-CB 3.31Å; L108-L112 WeakPolarHBondContact O-CD1 3.47Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 2.95Å
113	N	56	Low	61.9	Low	133 Å²	133	104 Å²	104	71%	0.711	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	2	178.3	-71.3	-51.3	0	0	0	113.5	Y109 T111	Y109-N113 PolarHBondContact O-N 3.31Å; Y109-N113 PolarHBondContact O-ND2 2.91Å; T111-N113 VanDerWaalsContact C-N 3.26Å; T111-N113 PolarHBondContact O-N 3.38Å
114	L	54.6	Low	59.7	Low	125 Å²	125	104.4 Å²	104.4	65%	0.654	61%	0.609	S	S	*	*	S	Bend	trans	-66.7	133.2	168.4	-111	79	0	0	0	108.8	T111 K116	T111-L114 PolarHBondContact O-N 2.97Å; L114-K116 PolarHBondContact O-N 3.09Å
115	P	50.9	Low	57.4	Low	115 Å²	115	109 Å²	109	75%	0.747	64%	0.638	S	S	*	*			trans	-57.2	114.5	172.4	22.6	-29.9	0	0	0	107.9	D117	P115-D117 PolarHBondContact O-N 2.86Å
116	K	55.1	Low	55.2	Low	202 Å²	202	113.4 Å²	113.4	88%	0.878	67%	0.67	S	S	*	*			trans	-58	96.1	165.6	-92.4	-178	172.9	-178.9	0	106.5	L114 K118	L114-K116 PolarHBondContact O-N 3.09Å; K116-K118 PolarHBondContact O-N 3.3Å
117	D	49.3	Very low	53.3	Low	157 Å²	157	116.9 Å²	116.9	84%	0.84	69%	0.687	S	S	*	*			trans	-58.6	135.8	171.4	-126.6	-19.6	0	0	0	107.4	P115 G119	P115-D117 PolarHBondContact O-N 2.86Å; D117-G119 VanDerWaalsContact C-N 3.27Å; D117-G119 PolarHBondContact O-N 2.85Å
118	K	44.8	Very low	51.5	Low	211 Å²	211	115.5 Å²	115.5	92%	0.917	69%	0.69	S	S	*	*			trans	-68	84.5	-172.6	-71.9	-177.9	174	-177.8	0	110	K116	K116-K118 PolarHBondContact O-N 3.3Å
119	G	44.4	Very low	49.9	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	71%	0.709	S	S	*	*			trans	-103.8	94.6	164.7	0	0	0	0	0	109.7	D117 G121	D117-G119 VanDerWaalsContact C-N 3.27Å; D117-G119 PolarHBondContact O-N 2.85Å; G119-G121 PolarHBondContact O-N 2.9Å
120	E	41.2	Very low	48.7	Very low	208 Å²	208	120.9 Å²	120.9	97%	0.972	73%	0.731	S	S	*	*			trans	-61.2	121.8	159.4	-78	177.5	141.3	0	0	108.7
121	G	41.6	Very low	47.4	Very low	74 Å²	74	124.1 Å²	124.1	76%	0.763	74%	0.742	S	S	*	*			trans	175.1	93.8	175.3	0	0	0	0	0	110.9	G119	G119-G121 PolarHBondContact O-N 2.9Å
122	G	33.8	Very low	46.6	Very low	88 Å²	88	124.5 Å²	124.5	91%	0.907	74%	0.741	S	S	*	*			trans	-61.6	133.6	-176	0	0	0	0	0	113.6
123	S	42.3	Very low	46	Very low	116 Å²	116	123.5 Å²	123.5	81%	0.811	74%	0.74	S	S	*	*			trans	-152.3	124.1	146.6	-166.1	0	0	0	0	107.8
124	A	39.6	Very low	46	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	74%	0.741	S	S	*	*			trans	-72.9	158.6	177.9	0	0	0	0	0	110.6
125	D	39.5	Very low	46.3	Very low	162 Å²	162	124.4 Å²	124.4	87%	0.866	74%	0.743	S	S	*	*			trans	85.2	32.3	170.5	-57.9	-18.3	0	0	0	119.4
126	C	39.6	Very low	47.5	Very low	113 Å²	113	124.2 Å²	124.2	76%	0.764	75%	0.745	S	S	*	*			trans	-103.5	109.6	153.7	-66.6	0	0	0	0	109.5	S128	C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.41Å
127	I	42.4	Very low	48.9	Very low	162 Å²	162	117.6 Å²	117.6	83%	0.831	72%	0.718	S	S	*	*			trans	-54.1	100.1	166.8	-60.8	171.1	0	0	0	106.2
128	S	43.2	Very low	50.9	Low	86 Å²	86	113.6 Å²	113.6	60%	0.601	70%	0.702	S	S	*	*			trans	-55.9	138.7	175	-47.2	0	0	0	0	106.7	C126 T130	C126-S128 VanDerWaalsContact C-N 3.29Å; C126-S128 PolarHBondContact O-N 3.41Å; S128-T130 WeakPolarHBondContact O-CA 3.22Å; S128-T130 PolarHBondContact O-N 2.75Å
129	P	48.9	Very low	53.2	Low	87 Å²	87	105.5 Å²	105.5	57%	0.565	67%	0.666	S	S	*	*			trans	-56.7	99.5	172.5	22	-29.7	0	0	0	106.8	N131	P129-N131 PolarHBondContact O-N 2.76Å
130	T	48.1	Very low	55.4	Low	108 Å²	108	112.7 Å²	112.7	66%	0.663	67%	0.672	S	S	*	*			trans	-51.7	116.2	-169.1	-52.7	0	0	0	0	107	S128 I132	S128-T130 WeakPolarHBondContact O-CA 3.22Å; S128-T130 PolarHBondContact O-N 2.75Å; T130-I132 VanDerWaalsContact C-N 3.27Å; T130-I132 WeakPolarHBondContact O-CG1 3.46Å; T130-I132 PolarHBondContact O-N 3.01Å
131	N	46	Very low	57.8	Low	147 Å²	147	107.1 Å²	107.1	79%	0.786	65%	0.649	S	S	*	*			trans	-19.8	83.8	173.8	-82.8	-51.5	0	0	0	112.2	P129 P133	P129-N131 PolarHBondContact O-N 2.76Å; N131-P133 WeakPolarHBondContact O-CD 3.34Å
132	I	52.9	Low	60.3	Low	81 Å²	81	105.3 Å²	105.3	42%	0.415	62%	0.621	S	S	.	*			trans	-83.9	106.5	177.9	-52.9	-174.9	0	0	0	102.4	M105 T130	M105-I132 HydrophobicContact CE-CB 4.49Å; M105-I132 HydrophobicContact CE-CD1 4.29Å; M105-I132 HydrophobicContact CE-CG2 3.94Å; T130-I132 VanDerWaalsContact C-N 3.27Å; T130-I132 WeakPolarHBondContact O-CG1 3.46Å; T130-I132 PolarHBondContact O-N 3.01Å
133	P	51.3	Low	63.1	Low	65 Å²	65	102.4 Å²	102.4	42%	0.422	58%	0.583	S	S	.	*			trans	-53.7	149.4	177.5	23.9	-33.4	0	0	0	108.2	Y109 N131 K135	Y109-P133 PolarHBondContact OH-O 3.39Å; N131-P133 WeakPolarHBondContact O-CD 3.34Å; P133-K135 HydrophobicContact CB-CG 4.19Å; P133-K135 HydrophobicContact CG-CD 4Å; P133-K135 HydrophobicContact CG-CG 4.06Å; P133-K135 PolarHBondContact O-N 3.33Å
134	P	56.3	Low	65.5	Low	114 Å²	114	104.5 Å²	104.5	74%	0.74	58%	0.577	S	S	*	*			trans	-68.8	50.3	178.7	30.2	-36.1	0	0	0	111.6	Y109 S136	Y109-P134 HydrophobicContact CE1-CB 4.25Å; Y109-P134 WeakPolarHBondContact OH-CA 3.46Å; P134-S136 PolarHBondContact O-N 3.41Å
135	K	60.9	Low	67.9	Low	163 Å²	163	103.8 Å²	103.8	71%	0.709	56%	0.564	S	S	*	*			trans	-77.5	107.1	174.1	-72.5	-175.8	-179.9	178.1	0	106.3	P133 I137	P133-K135 HydrophobicContact CB-CG 4.19Å; P133-K135 HydrophobicContact CG-CD 4Å; P133-K135 HydrophobicContact CG-CG 4.06Å; P133-K135 PolarHBondContact O-N 3.33Å; K135-I137 PolarHBondContact O-N 3Å
136	S	76.2	Confident	70.5	Confident	111 Å²	111	100.1 Å²	100.1	78%	0.776	54%	0.541	S	S	*	.			trans	-47.8	127	166.6	60.2	0	0	0	0	109.5	P134 S138	P134-S136 PolarHBondContact O-N 3.41Å; S136-S138 PolarHBondContact O-N 2.86Å; S136-S138 VanDerWaalsContact O-N 3.16Å
137	I	84.5	Confident	73	Confident	63 Å²	63	94.7 Å²	94.7	32%	0.323	50%	0.504	S	S	.	.			trans	-63.9	119	176	-59.5	176.6	0	0	0	108	V101 M105 K135 W139 L142	V101-I137 HydrophobicContact CG1-CD1 3.43Å; V101-I137 VanDerWaalsContact CG1-CD1 3.43Å; M105-I137 HydrophobicContact CG-CD1 4.46Å; K135-I137 PolarHBondContact O-N 3Å; I137-W139 HydrophobicContact CB-CD2 4.44Å; I137-W139 HydrophobicContact CB-CZ2 4.34Å; I137-W139 HydrophobicContact CD1-CH2 4.32Å; I137-W139 HydrophobicContact CD1-CZ2 3.99Å; I137-W139 HydrophobicContact CG2-CD2 3.83Å; I137-W139 HydrophobicContact CG2-CE3 4.03Å; I137-W139 HydrophobicContact CG2-CG 4.35Å; I137-W139 HydrophobicContact CG2-CH2 4.32Å; I137-W139 HydrophobicContact CG2-CZ2 4.14Å; I137-W139 HydrophobicContact CG2-CZ3 4.28Å; I137-W139 PolarHBondContact O-N 3.31Å; I137-L142 HydrophobicContact CG2-CD1 4.14Å
138	S	91.2	Very high	75.6	Confident	72 Å²	72	87 Å²	87	50%	0.503	47%	0.465	S	S	.	.			trans	-74.3	82	171.9	-176.5	0	0	0	0	109.4	S136 R140 N141 L142	S136-S138 PolarHBondContact O-N 2.86Å; S136-S138 VanDerWaalsContact O-N 3.16Å; S138-R140 PolarHBondContact O-N 2.75Å; S138-N141 PolarHBondContact O-N 2.83Å; S138-N141 WeakPolarHBondContact OG-CB 3.44Å; S138-L142 PolarHBondContact O-N 3.35Å
139	W	92.4	Very high	78	Confident	42 Å²	42	82.9 Å²	82.9	16%	0.159	44%	0.436	C	S	.	.	H	α-helix	trans	-55.9	-37.6	-179.3	-72.7	117.6	0	0	0	112.8	Q98 V101 I137 N141 L142 W143 F189	Q98-W139 HydrophobicContact CB-CD2 4.21Å; Q98-W139 HydrophobicContact CB-CE3 4.48Å; Q98-W139 HydrophobicContact CB-CH2 4.29Å; Q98-W139 HydrophobicContact CB-CZ2 4.01Å; Q98-W139 HydrophobicContact CG-CD2 3.61Å; Q98-W139 HydrophobicContact CG-CE3 3.61Å; Q98-W139 HydrophobicContact CG-CG 4.15Å; Q98-W139 HydrophobicContact CG-CH2 4.15Å; Q98-W139 HydrophobicContact CG-CZ2 4.16Å; Q98-W139 HydrophobicContact CG-CZ3 3.87Å; V101-W139 HydrophobicContact CB-CH2 3.73Å; V101-W139 HydrophobicContact CB-CZ2 3.98Å; V101-W139 HydrophobicContact CG1-CH2 3.88Å; V101-W139 HydrophobicContact CG1-CZ2 4.03Å; V101-W139 HydrophobicContact CG2-CH2 4.14Å; I137-W139 HydrophobicContact CB-CD2 4.44Å; I137-W139 HydrophobicContact CB-CZ2 4.34Å; I137-W139 HydrophobicContact CD1-CH2 4.32Å; I137-W139 HydrophobicContact CD1-CZ2 3.99Å; I137-W139 HydrophobicContact CG2-CD2 3.83Å; I137-W139 HydrophobicContact CG2-CE3 4.03Å; I137-W139 HydrophobicContact CG2-CG 4.35Å; I137-W139 HydrophobicContact CG2-CH2 4.32Å; I137-W139 HydrophobicContact CG2-CZ2 4.14Å; I137-W139 HydrophobicContact CG2-CZ3 4.28Å; I137-W139 PolarHBondContact O-N 3.31Å; W139-N141 VanDerWaalsContact C-N 3.34Å; W139-N141 PolarHBondContact O-N 2.86Å; W139-L142 HydrophobicContact CE3-CD1 4.2Å; W139-L142 HydrophobicContact CE3-CD2 4.35Å; W139-L142 HydrophobicContact CZ3-CD1 4.03Å; W139-L142 HydrophobicContact CZ3-CD2 4.36Å; W139-L142 PolarHBondContact O-N 3.4Å; W139-W143 AromaticContact CE3-CE2 3.98Å; W139-W143 AromaticContact CE3-CZ2 3.97Å; W139-W143 HydrophobicContact CE3-CZ2 3.97Å; W139-W143 AromaticContact CE3-NE1 3.86Å; W139-W143 AromaticContact CZ3-CZ2 3.97Å; W139-W143 HydrophobicContact CZ3-CZ2 3.97Å; W139-W143 WeakPolarHBondContact O-CB 3.14Å; W139-W143 VanDerWaalsContact O-CG 3.29Å; W139-W143 PolarHBondContact O-N 3.01Å; W139-F189 HydrophobicContact CZ3-CZ 4.49Å
140	R	92.3	Very high	80.2	Confident	221 Å²	221	79.8 Å²	79.8	83%	0.834	42%	0.415	S	S	*	.	H	α-helix	trans	-57.8	-46.8	174.9	-174.5	-176.7	-67.4	-177	-0.3	111.4	S138 K144	S138-R140 PolarHBondContact O-N 2.75Å; R140-K144 WeakPolarHBondContact O-CB 3.48Å; R140-K144 PolarHBondContact O-N 3.22Å; R140-K144 VanDerWaalsContact O-N 3.11Å
141	N	92	Very high	82.2	Confident	91 Å²	91	75.1 Å²	75.1	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-39.1	178.9	-171.2	43.9	0	0	0	111.9	S138 W139 K144 T145	S138-N141 PolarHBondContact O-N 2.83Å; S138-N141 WeakPolarHBondContact OG-CB 3.44Å; W139-N141 VanDerWaalsContact C-N 3.34Å; W139-N141 PolarHBondContact O-N 2.86Å; N141-K144 WeakPolarHBondContact O-CB 3.18Å; N141-K144 PolarHBondContact O-N 3.24Å; N141-T145 PolarHBondContact O-N 3.32Å; N141-T145 VanDerWaalsContact O-N 3.13Å; N141-T145 PolarHBondContact O-OG1 3.03Å
142	L	92.8	Very high	84	Confident	36 Å²	36	69.3 Å²	69.3	19%	0.188	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-52.1	175.8	-171	151.6	0	0	0	110.4	I137 S138 W139 K144 T145 K146 F189	I137-L142 HydrophobicContact CG2-CD1 4.14Å; S138-L142 PolarHBondContact O-N 3.35Å; W139-L142 HydrophobicContact CE3-CD1 4.2Å; W139-L142 HydrophobicContact CE3-CD2 4.35Å; W139-L142 HydrophobicContact CZ3-CD1 4.03Å; W139-L142 HydrophobicContact CZ3-CD2 4.36Å; W139-L142 PolarHBondContact O-N 3.4Å; L142-K144 PolarHBondContact O-N 3.11Å; L142-T145 PolarHBondContact O-N 3.27Å; L142-T145 VanDerWaalsContact O-N 3.11Å; L142-T145 PolarHBondContact O-OG1 3.13Å; L142-K146 HydrophobicContact CD2-CB 4.28Å; L142-K146 WeakPolarHBondContact O-CA 3.44Å; L142-K146 WeakPolarHBondContact O-CB 3.43Å; L142-K146 PolarHBondContact O-N 2.94Å; L142-F189 HydrophobicContact CD1-CE1 4.34Å; L142-F189 HydrophobicContact CD2-CD1 3.94Å; L142-F189 HydrophobicContact CD2-CE1 3.55Å; L142-F189 HydrophobicContact CD2-CZ 4.44Å
143	W	93.5	Very high	84.8	Confident	27 Å²	27	70.9 Å²	70.9	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-69.6	-19.1	179.7	-63.3	134.5	0	0	0	114.4	R94 V97 Q98 W139 L148 F189 R192	R94-W143 HydrophobicContact CB-CH2 4.1Å; R94-W143 HydrophobicContact CB-CZ2 3.84Å; R94-W143 HydrophobicContact CG-CD2 4.33Å; R94-W143 HydrophobicContact CG-CE3 4.14Å; R94-W143 HydrophobicContact CG-CH2 3.79Å; R94-W143 HydrophobicContact CG-CZ2 3.97Å; R94-W143 HydrophobicContact CG-CZ3 3.88Å; V97-W143 HydrophobicContact CB-CH2 4.38Å; V97-W143 HydrophobicContact CG1-CH2 3.98Å; V97-W143 HydrophobicContact CG1-CZ2 4.34Å; Q98-W143 HydrophobicContact CG-CZ2 3.76Å; Q98-W143 VanDerWaalsContact NE2-NE1 3.2Å; W139-W143 AromaticContact CE3-CE2 3.98Å; W139-W143 AromaticContact CE3-CZ2 3.97Å; W139-W143 HydrophobicContact CE3-CZ2 3.97Å; W139-W143 AromaticContact CE3-NE1 3.86Å; W139-W143 AromaticContact CZ3-CZ2 3.97Å; W139-W143 HydrophobicContact CZ3-CZ2 3.97Å; W139-W143 WeakPolarHBondContact O-CB 3.14Å; W139-W143 VanDerWaalsContact O-CG 3.29Å; W139-W143 PolarHBondContact O-N 3.01Å; W143-L148 HydrophobicContact CH2-CD1 4.32Å; W143-L148 HydrophobicContact CH2-CD2 3.99Å; W143-L148 HydrophobicContact CH2-CG 4.14Å; W143-L148 HydrophobicContact CZ3-CD1 4.49Å; W143-L148 HydrophobicContact CZ3-CD2 3.96Å; W143-L148 HydrophobicContact CZ3-CG 3.92Å; W143-F189 AromaticContact CH2-CE1 3.69Å; W143-F189 HydrophobicContact CH2-CE1 3.69Å; W143-F189 HydrophobicContact CH2-CZ 4.5Å; W143-F189 HydrophobicContact CZ3-CD1 4.3Å; W143-F189 AromaticContact CZ3-CE1 3.82Å; W143-F189 HydrophobicContact CZ3-CE1 3.82Å; W143-R192 PolarHBondContact O-NH1 3.44Å
144	K	91.7	Very high	85.4	Confident	160 Å²	160	74.9 Å²	74.9	70%	0.696	39%	0.39	S	S	*	.	H	α-helix	trans	-72.1	-36.9	171.2	-170.8	179.7	-179.9	-177.5	0	111.5	R140 N141 L142 R192	R140-K144 WeakPolarHBondContact O-CB 3.48Å; R140-K144 PolarHBondContact O-N 3.22Å; R140-K144 VanDerWaalsContact O-N 3.11Å; N141-K144 WeakPolarHBondContact O-CB 3.18Å; N141-K144 PolarHBondContact O-N 3.24Å; L142-K144 PolarHBondContact O-N 3.11Å; K144-R192 WeakPolarHBondContact O-CD 3.5Å
145	T	91.2	Very high	85.3	Confident	69 Å²	69	71 Å²	71	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-104.5	-24.8	-171.2	55.9	0	0	0	0	114	N141 L142 R192	N141-T145 PolarHBondContact O-N 3.32Å; N141-T145 VanDerWaalsContact O-N 3.13Å; N141-T145 PolarHBondContact O-OG1 3.03Å; L142-T145 PolarHBondContact O-N 3.27Å; L142-T145 VanDerWaalsContact O-N 3.11Å; L142-T145 PolarHBondContact O-OG1 3.13Å; T145-R192 PolarHBondContact O-N 2.87Å
146	K	92.8	Very high	84.8	Confident	84 Å²	84	70.9 Å²	70.9	37%	0.365	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151	-177	-54.3	-62.6	-171.6	171.3	0	111.4	L142 A190	L142-K146 HydrophobicContact CD2-CB 4.28Å; L142-K146 WeakPolarHBondContact O-CA 3.44Å; L142-K146 WeakPolarHBondContact O-CB 3.43Å; L142-K146 PolarHBondContact O-N 2.94Å; K146-A190 CarbonylContact C-O 3.53Å; K146-A190 WeakPolarHBondContact CA-O 3.41Å; K146-A190 WeakPolarHBondContact CB-O 3.44Å
147	C	93.1	Very high	83.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	174.9	165.3	57.1	0	0	0	0	109.6	D170 F189 A190 R192	C147-D170 WeakPolarHBondContact CB-OD1 3.45Å; C147-D170 PolarHBondContact SG-OD1 2.99Å; C147-F189 WeakPolarHBondContact O-CA 3.41Å; C147-A190 PolarHBondContact N-O 3.04Å; C147-A190 PolarHBondContact O-N 3.3Å; C147-R192 HydrophobicContact CB-CG 3.93Å
148	L	95.4	Very high	81.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	155.7	169	-63.1	177.6	0	0	0	109.1	L93 R94 V97 W143 L169 I187 T188 F189	L93-L148 HydrophobicContact CB-CD1 4.42Å; L93-L148 HydrophobicContact CD2-CD1 3.83Å; L93-L148 HydrophobicContact CG-CD1 3.67Å; R94-L148 HydrophobicContact CG-CD1 4Å; V97-L148 HydrophobicContact CG1-CD2 4.47Å; V97-L148 HydrophobicContact CG2-CD1 3.94Å; V97-L148 HydrophobicContact CG2-CD2 4.19Å; W143-L148 HydrophobicContact CH2-CD1 4.32Å; W143-L148 HydrophobicContact CH2-CD2 3.99Å; W143-L148 HydrophobicContact CH2-CG 4.14Å; W143-L148 HydrophobicContact CZ3-CD1 4.49Å; W143-L148 HydrophobicContact CZ3-CD2 3.96Å; W143-L148 HydrophobicContact CZ3-CG 3.92Å; L148-L169 HydrophobicContact CB-CB 4.2Å; L148-L169 HydrophobicContact CB-CD1 4.02Å; L148-L169 HydrophobicContact CB-CG 4.5Å; L148-L169 WeakPolarHBondContact O-CA 3.17Å; L148-L169 VanDerWaalsContact O-CB 3.3Å; L148-L169 WeakPolarHBondContact O-CB 3.06Å; L148-L169 PolarHBondContact O-N 2.74Å; L148-I187 HydrophobicContact CB-CG2 3.88Å; L148-I187 HydrophobicContact CD1-CG2 4.34Å; L148-I187 HydrophobicContact CD2-CG2 4.13Å; L148-I187 HydrophobicContact CG-CG2 4.34Å; L148-T188 CarbonylContact C-O 3.53Å; L148-T188 WeakPolarHBondContact CA-O 3.28Å; L148-F189 HydrophobicContact CD2-CD1 3.82Å; L148-F189 HydrophobicContact CD2-CE1 3.8Å; L148-F189 HydrophobicContact CD2-CZ 4.49Å
149	A	94.7	Very high	79.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.4	179.2	0	0	0	0	0	111	I165 A167 I187 T188 A190	A149-I165 HydrophobicContact CB-CB 4.49Å; A149-I165 HydrophobicContact CB-CD1 4.16Å; A149-I165 HydrophobicContact CB-CG1 4.08Å; A149-I165 HydrophobicContact CB-CG2 3.65Å; A149-A167 CarbonylContact C-O 3.47Å; A149-A167 VanDerWaalsContact CA-O 3.22Å; A149-A167 WeakPolarHBondContact CA-O 3.48Å; A149-A167 WeakPolarHBondContact CB-O 3.37Å; A149-I187 CarbonylContact O-C 3.49Å; A149-I187 VanDerWaalsContact O-CA 3.31Å; A149-I187 WeakPolarHBondContact O-CA 3.14Å; A149-T188 HydrophobicContact CB-CG2 4.37Å; A149-T188 PolarHBondContact N-O 3.3Å; A149-T188 PolarHBondContact O-N 3.29Å; A149-A190 HydrophobicContact CB-CB 3.75Å
150	L	94.6	Very high	78.1	Confident	22 Å²	22	80.3 Å²	80.3	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.7	172.8	177.7	61.3	0	0	0	109.2	I165 S166 A167 I181 A185 I187	L150-I165 CarbonylContact O-C 3.5Å; L150-I165 WeakPolarHBondContact O-CA 3.4Å; L150-S166 PolarHBondContact O-N 2.78Å; L150-A167 HydrophobicContact CB-CB 4.41Å; L150-A167 PolarHBondContact N-O 3.11Å; L150-I181 HydrophobicContact CD1-CG1 4.23Å; L150-I181 HydrophobicContact CD2-CG1 4.18Å; L150-A185 HydrophobicContact CD1-CB 3.96Å; L150-I187 HydrophobicContact CD1-CD1 4.17Å
151	V	90.7	Very high	76.5	Confident	10 Å²	10	71.9 Å²	71.9	6%	0.061	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.3	174.5	-179	0	0	0	0	109.3	P163 S164 M186 T188	V151-P163 HydrophobicContact CG1-CB 3.91Å; V151-P163 HydrophobicContact CG2-CB 4.14Å; V151-S164 WeakPolarHBondContact CA-O 3.07Å; V151-M186 HydrophobicContact CB-CB 3.93Å; V151-M186 HydrophobicContact CG2-CB 4.27Å; V151-M186 PolarHBondContact N-O 2.9Å; V151-T188 HydrophobicContact CG2-CG2 3.68Å
152	S	83.6	Confident	75.2	Confident	24 Å²	24	75.3 Å²	75.3	17%	0.168	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-65.1	125.5	176.8	-60.8	0	0	0	0	110.4	N154 S155 S164 S166	S152-N154 PolarHBondContact O-N 3.46Å; S152-N154 VanDerWaalsContact O-N 3.13Å; S152-S155 PolarHBondContact O-N 3.06Å; S152-S155 VanDerWaalsContact O-N 3.11Å; S152-S155 PolarHBondContact O-OG 3.39Å; S152-S164 PolarHBondContact N-O 3.48Å; S152-S164 PolarHBondContact OG-O 2.6Å; S152-S164 PolarHBondContact OG-OG 3.3Å; S152-S166 WeakPolarHBondContact CA-OG 3.24Å; S152-S166 WeakPolarHBondContact CB-OG 3.48Å; S152-S166 PolarHBondContact N-OG 3.08Å; S152-S166 PolarHBondContact OG-OG 3.26Å
153	P	69.6	Low	74.2	Confident	115 Å²	115	75.1 Å²	75.1	75%	0.747	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.8	-177.9	24.3	-32.8	0	0	0	112.7
154	N	63.9	Low	73.6	Confident	148 Å²	148	76.8 Å²	76.8	79%	0.791	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6	-178.7	-61.6	-10.4	0	0	0	113.6	S152 L156	S152-N154 PolarHBondContact O-N 3.46Å; S152-N154 VanDerWaalsContact O-N 3.13Å; N154-L156 PolarHBondContact O-N 3.07Å; N154-L156 VanDerWaalsContact O-N 3.09Å
155	S	54.1	Low	73.3	Confident	33 Å²	33	72.1 Å²	72.1	23%	0.231	42%	0.42	C	S	.	.			trans	-85.8	73.9	168.9	64.7	0	0	0	0	108.8	S152 C157	S152-S155 PolarHBondContact O-N 3.06Å; S152-S155 VanDerWaalsContact O-N 3.11Å; S152-S155 PolarHBondContact O-OG 3.39Å; S155-C157 PolarHBondContact O-N 3.18Å
156	L	50.8	Low	73.2	Confident	161 Å²	161	72 Å²	72	84%	0.843	42%	0.422	S	S	*	.			trans	-53.9	108.5	156.8	-75	158.2	0	0	0	106	N154	N154-L156 PolarHBondContact O-N 3.07Å; N154-L156 VanDerWaalsContact O-N 3.09Å
157	C	49.8	Very low	73.2	Confident	97 Å²	97	69.2 Å²	69.2	66%	0.655	42%	0.415	S	S	*	.			trans	17.3	96.2	173.6	-68.7	0	0	0	0	114.7	S155 P159	S155-C157 PolarHBondContact O-N 3.18Å; C157-P159 WeakPolarHBondContact O-CD 3.3Å; C157-P159 VanDerWaalsContact O-N 3.16Å
158	P	44.8	Very low	73.2	Confident	53 Å²	53	73.1 Å²	73.1	34%	0.344	43%	0.43	S	S	.	.			trans	-57.1	127.3	166.9	25.6	-32.7	0	0	0	107.4	E160 G161	P158-E160 PolarHBondContact O-N 3.17Å; P158-G161 VanDerWaalsContact CG-O 3.29Å; P158-G161 WeakPolarHBondContact CG-O 3.46Å
159	P	52.3	Low	73.1	Confident	132 Å²	132	73.1 Å²	73.1	86%	0.857	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.9	-171.1	15.2	-25.6	0	0	0	114.6	C157	C157-P159 WeakPolarHBondContact O-CD 3.3Å; C157-P159 VanDerWaalsContact O-N 3.16Å
160	E	56.8	Low	72.9	Confident	203 Å²	203	75 Å²	75	95%	0.949	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.6	31.4	179	-107.8	158	-161.2	0	0	111.7	P158	P158-E160 PolarHBondContact O-N 3.17Å
161	G	58.5	Low	72.8	Confident	45 Å²	45	77.4 Å²	77.4	46%	0.464	46%	0.455	S	S	.	.	S	Bend	trans	-131.1	158.7	-167.2	0	0	0	0	0	116	P158	P158-G161 VanDerWaalsContact CG-O 3.29Å; P158-G161 WeakPolarHBondContact CG-O 3.46Å
162	L	65.5	Low	72.9	Confident	162 Å²	162	79.8 Å²	79.8	85%	0.848	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-61.4	143.1	166.6	-72.6	168	0	0	0	109.9	S164	L162-S164 PolarHBondContact O-N 3.1Å
163	P	70.2	Confident	73.4	Confident	33 Å²	33	83.5 Å²	83.5	21%	0.214	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-57.9	140.7	177.8	24.5	-34.1	0	0	0	110.9	L73 V151 I165 T188	L73-P163 HydrophobicContact CD2-CB 4.31Å; L73-P163 HydrophobicContact CD2-CG 4.39Å; V151-P163 HydrophobicContact CG1-CB 3.91Å; V151-P163 HydrophobicContact CG2-CB 4.14Å; P163-I165 PolarHBondContact O-N 3.4Å; P163-T188 HydrophobicContact CG-CG2 3.96Å
164	S	81.7	Confident	74.7	Confident	62 Å²	62	80.3 Å²	80.3	43%	0.434	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-68.3	120.8	176.1	-179.8	0	0	0	0	109.5	V151 S152 L162	V151-S164 WeakPolarHBondContact CA-O 3.07Å; S152-S164 PolarHBondContact N-O 3.48Å; S152-S164 PolarHBondContact OG-O 2.6Å; S152-S164 PolarHBondContact OG-OG 3.3Å; L162-S164 PolarHBondContact O-N 3.1Å
165	I	86.2	Confident	76.2	Confident	62 Å²	62	77.3 Å²	77.3	32%	0.318	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.5	-177.8	-66.6	167.8	0	0	0	109.3	A149 L150 P163 R168 A190	A149-I165 HydrophobicContact CB-CB 4.49Å; A149-I165 HydrophobicContact CB-CD1 4.16Å; A149-I165 HydrophobicContact CB-CG1 4.08Å; A149-I165 HydrophobicContact CB-CG2 3.65Å; L150-I165 CarbonylContact O-C 3.5Å; L150-I165 WeakPolarHBondContact O-CA 3.4Å; P163-I165 PolarHBondContact O-N 3.4Å; I165-R168 HydrophobicContact CG2-CG 4.19Å; I165-A190 HydrophobicContact CD1-CB 3.69Å
166	S	88.6	Confident	78.2	Confident	65 Å²	65	75.8 Å²	75.8	46%	0.455	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-41.6	172.4	-49.9	0	0	0	0	112.3	L150 S152	L150-S166 PolarHBondContact O-N 2.78Å; S152-S166 WeakPolarHBondContact CA-OG 3.24Å; S152-S166 WeakPolarHBondContact CB-OG 3.48Å; S152-S166 PolarHBondContact N-OG 3.08Å; S152-S166 PolarHBondContact OG-OG 3.26Å
167	A	91.4	Very high	80.3	Confident	27 Å²	27	71.4 Å²	71.4	22%	0.223	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	142	-175.8	0	0	0	0	0	111.5	A149 L150	A149-A167 CarbonylContact C-O 3.47Å; A149-A167 VanDerWaalsContact CA-O 3.22Å; A149-A167 WeakPolarHBondContact CA-O 3.48Å; A149-A167 WeakPolarHBondContact CB-O 3.37Å; L150-A167 HydrophobicContact CB-CB 4.41Å; L150-A167 PolarHBondContact N-O 3.11Å
168	R	93.2	Very high	82.3	Confident	81 Å²	81	74.5 Å²	74.5	31%	0.306	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.7	172.9	-66.7	-178.4	176.4	-146.7	-7.5	110.6	I165 D170 P191 L193	I165-R168 HydrophobicContact CG2-CG 4.19Å; R168-D170 PolarHBondContact O-N 2.79Å; R168-P191 PolarHBondContact NH1-O 3.21Å; R168-L193 VanDerWaalsContact NH1-CG 3.33Å
169	L	94.1	Very high	84.6	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	66.2	-177.6	-49.7	-179.8	0	0	0	109.1	V90 L93 L148 H179 I181 I187	V90-L169 HydrophobicContact CG1-CB 3.8Å; V90-L169 WeakPolarHBondContact CG1-O 3Å; V90-L169 HydrophobicContact CG2-CB 3.89Å; V90-L169 HydrophobicContact CG2-CD2 4.45Å; L93-L169 HydrophobicContact CD2-CD1 3.71Å; L148-L169 HydrophobicContact CB-CB 4.2Å; L148-L169 HydrophobicContact CB-CD1 4.02Å; L148-L169 HydrophobicContact CB-CG 4.5Å; L148-L169 WeakPolarHBondContact O-CA 3.17Å; L148-L169 VanDerWaalsContact O-CB 3.3Å; L148-L169 WeakPolarHBondContact O-CB 3.06Å; L148-L169 PolarHBondContact O-N 2.74Å; L169-H179 HydrophobicContact CD2-CB 3.89Å; L169-H179 VanDerWaalsContact CD2-CD2 3.48Å; L169-H179 WeakPolarHBondContact CD2-CD2 3.48Å; L169-H179 VanDerWaalsContact CD2-CG 3.47Å; L169-I181 HydrophobicContact CD1-CD1 3.75Å; L169-I181 HydrophobicContact CD2-CD1 3.86Å; L169-I181 HydrophobicContact CG-CD1 4.46Å; L169-I187 HydrophobicContact CD1-CD1 4.22Å
170	D	90.1	Very high	86.4	Confident	41 Å²	41	75.5 Å²	75.5	22%	0.219	41%	0.405	C	S	.	.			trans	-87	-25.7	-176.8	-83.7	-54.8	0	0	0	113.3	C147 R168 R192	C147-D170 WeakPolarHBondContact CB-OD1 3.45Å; C147-D170 PolarHBondContact SG-OD1 2.99Å; R168-D170 PolarHBondContact O-N 2.79Å; D170-R192 IonicContact OD1-NE 3.91Å
171	V	92.3	Very high	88.2	Confident	71 Å²	71	66.2 Å²	66.2	43%	0.43	36%	0.362	S	S	.	.			trans	-94.8	105.5	-177.3	-176.2	0	0	0	0	109.7	V90 T173 N174	V90-V171 WeakPolarHBondContact CB-O 3.47Å; V171-T173 WeakPolarHBondContact CG1-OG1 3.46Å; V171-T173 PolarHBondContact O-N 2.94Å; V171-N174 HydrophobicContact CB-CB 4.42Å; V171-N174 HydrophobicContact CG1-CB 4.44Å; V171-N174 VanDerWaalsContact CG1-OD1 3.28Å; V171-N174 WeakPolarHBondContact CG1-OD1 2.99Å; V171-N174 PolarHBondContact O-N 3.28Å
172	L	94.1	Very high	89.8	Confident	61 Å²	61	73.5 Å²	73.5	32%	0.319	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.9	-172.8	-66.4	-179.2	0	0	0	114.5	R89 V90 L91 R94	R89-L172 WeakPolarHBondContact CB-O 3.15Å; V90-L172 HydrophobicContact CG1-CD2 3.97Å; L91-L172 HydrophobicContact CB-CB 4.36Å; L91-L172 HydrophobicContact CD1-CD1 4.45Å; L91-L172 PolarHBondContact N-O 2.93Å; R94-L172 VanDerWaalsContact NE-CD2 3.27Å
173	T	94.6	Very high	91.1	Very high	101 Å²	101	70.6 Å²	70.6	62%	0.62	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.7	-176.8	50.8	0	0	0	0	113.1	R89 V171 K175	R89-T173 WeakPolarHBondContact CD-O 3.39Å; V171-T173 WeakPolarHBondContact CG1-OG1 3.46Å; V171-T173 PolarHBondContact O-N 2.94Å; T173-K175 PolarHBondContact O-N 3.11Å
174	N	95.7	Very high	92.1	Very high	49 Å²	49	71.5 Å²	71.5	26%	0.262	38%	0.376	S	S	.	.	S	Bend	trans	-68.6	132	-180	-73.9	5.3	0	0	0	109.8	R89 V90 V171 Y178	R89-N174 CarbonylContact C-O 3.53Å; R89-N174 WeakPolarHBondContact CA-O 3.31Å; R89-N174 VanDerWaalsContact CB-O 3.31Å; R89-N174 WeakPolarHBondContact CB-O 3.19Å; V90-N174 PolarHBondContact N-O 3.39Å; V171-N174 HydrophobicContact CB-CB 4.42Å; V171-N174 HydrophobicContact CG1-CB 4.44Å; V171-N174 VanDerWaalsContact CG1-OD1 3.28Å; V171-N174 WeakPolarHBondContact CG1-OD1 2.99Å; V171-N174 PolarHBondContact O-N 3.28Å; N174-Y178 HydrophobicContact CB-CD2 4.26Å
175	K	96.3	Very high	92.7	Very high	85 Å²	85	69.5 Å²	69.5	37%	0.37	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-58.7	147.2	163.4	-62.4	-172.7	174.6	-167.8	0	110.8	A88 R89 T173 S177 Y178	A88-K175 WeakPolarHBondContact O-CA 3.23Å; R89-K175 HydrophobicContact CG-CG 4.36Å; T173-K175 PolarHBondContact O-N 3.11Å; K175-S177 PolarHBondContact O-N 2.68Å; K175-Y178 HydrophobicContact CB-CD2 3.56Å; K175-Y178 HydrophobicContact CB-CE2 3.56Å; K175-Y178 HydrophobicContact CD-CE2 4.29Å; K175-Y178 HydrophobicContact CG-CD2 4.32Å; K175-Y178 HydrophobicContact CG-CE2 3.82Å; K175-Y178 VanDerWaalsContact N-CD2 3.27Å; K175-Y178 WeakPolarHBondContact O-CD2 3.46Å; K175-Y178 PolarHBondContact O-N 3.07Å
176	L	95.7	Very high	93	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.4	176.8	-62.4	179.8	0	0	0	111.9	M68 L70 V84 A88 V90 L93 Y178 H179 I181	M68-L176 HydrophobicContact CE-CB 3.88Å; M68-L176 HydrophobicContact CE-CD1 3.34Å; M68-L176 HydrophobicContact CE-CG 4.24Å; L70-L176 HydrophobicContact CD1-CD1 4.36Å; V84-L176 HydrophobicContact CG2-CD1 3.96Å; A88-L176 HydrophobicContact CB-CD1 3.92Å; A88-L176 HydrophobicContact CB-CG 4.46Å; A88-L176 WeakPolarHBondContact O-CG 3.32Å; A88-L176 PolarHBondContact O-N 3.16Å; V90-L176 HydrophobicContact CG2-CD2 4.01Å; L93-L176 HydrophobicContact CB-CD1 4.21Å; L93-L176 HydrophobicContact CB-CD2 4.08Å; L93-L176 HydrophobicContact CD2-CD1 4.39Å; L93-L176 HydrophobicContact CD2-CD2 3.67Å; L93-L176 HydrophobicContact CG-CD2 4.48Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 3.2Å; L176-H179 PolarHBondContact O-N 3.3Å; L176-I181 HydrophobicContact CB-CB 4.09Å; L176-I181 HydrophobicContact CB-CD1 4.17Å; L176-I181 HydrophobicContact CB-CG2 4.36Å; L176-I181 HydrophobicContact CD2-CD1 3.85Å; L176-I181 WeakPolarHBondContact O-CB 3.48Å; L176-I181 PolarHBondContact O-N 2.82Å
177	S	93.9	Very high	93.4	Very high	69 Å²	69	66 Å²	66	48%	0.483	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-60.9	-29.8	176.3	58.4	0	0	0	0	114.2	K175 H179 Q180	K175-S177 PolarHBondContact O-N 2.68Å; S177-H179 PolarHBondContact O-N 2.98Å; S177-Q180 PolarHBondContact O-N 3.2Å
178	Y	93.3	Very high	93.5	Very high	163 Å²	163	65.1 Å²	65.1	64%	0.639	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63	-27.5	174.6	-66.6	-70.1	0	0	0	112.4	N174 K175 L176 Q180	N174-Y178 HydrophobicContact CB-CD2 4.26Å; K175-Y178 HydrophobicContact CB-CD2 3.56Å; K175-Y178 HydrophobicContact CB-CE2 3.56Å; K175-Y178 HydrophobicContact CD-CE2 4.29Å; K175-Y178 HydrophobicContact CG-CD2 4.32Å; K175-Y178 HydrophobicContact CG-CE2 3.82Å; K175-Y178 VanDerWaalsContact N-CD2 3.27Å; K175-Y178 WeakPolarHBondContact O-CD2 3.46Å; K175-Y178 PolarHBondContact O-N 3.07Å; L176-Y178 VanDerWaalsContact C-N 3.28Å; L176-Y178 PolarHBondContact O-N 3.2Å; Y178-Q180 VanDerWaalsContact C-N 3.32Å
179	H	91.8	Very high	93.5	Very high	41 Å²	41	63.7 Å²	63.7	19%	0.19	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-94.6	13.7	176.8	-63.4	-74.3	0	0	0	112.5	L169 L176 S177 I181	L169-H179 HydrophobicContact CD2-CB 3.89Å; L169-H179 VanDerWaalsContact CD2-CD2 3.48Å; L169-H179 WeakPolarHBondContact CD2-CD2 3.48Å; L169-H179 VanDerWaalsContact CD2-CG 3.47Å; L176-H179 PolarHBondContact O-N 3.3Å; S177-H179 PolarHBondContact O-N 2.98Å; H179-I181 HydrophobicContact CB-CD1 3.97Å; H179-I181 HydrophobicContact CB-CG1 3.96Å; H179-I181 PolarHBondContact O-N 3.18Å; H179-I181 VanDerWaalsContact O-N 3.11Å
180	Q	91.5	Very high	93.4	Very high	165 Å²	165	63.8 Å²	63.8	77%	0.771	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	24.3	-176.8	-54.1	179.4	5.3	0	0	113.7	S177 Y178 R182	S177-Q180 PolarHBondContact O-N 3.2Å; Y178-Q180 VanDerWaalsContact C-N 3.32Å; Q180-R182 PolarHBondContact O-N 3.18Å
181	I	93.2	Very high	93.5	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.041	34%	0.339	C	S	.	.			trans	-70.9	125.8	175.5	-61.4	171.3	0	0	0	107.8	M68 L70 L150 L169 L176 H179 A185 I187	M68-I181 HydrophobicContact CE-CG2 4.42Å; L70-I181 HydrophobicContact CD1-CG2 4.29Å; L70-I181 HydrophobicContact CD2-CG2 3.78Å; L150-I181 HydrophobicContact CD1-CG1 4.23Å; L150-I181 HydrophobicContact CD2-CG1 4.18Å; L169-I181 HydrophobicContact CD1-CD1 3.75Å; L169-I181 HydrophobicContact CD2-CD1 3.86Å; L169-I181 HydrophobicContact CG-CD1 4.46Å; L176-I181 HydrophobicContact CB-CB 4.09Å; L176-I181 HydrophobicContact CB-CD1 4.17Å; L176-I181 HydrophobicContact CB-CG2 4.36Å; L176-I181 HydrophobicContact CD2-CD1 3.85Å; L176-I181 WeakPolarHBondContact O-CB 3.48Å; L176-I181 PolarHBondContact O-N 2.82Å; H179-I181 HydrophobicContact CB-CD1 3.97Å; H179-I181 HydrophobicContact CB-CG1 3.96Å; H179-I181 PolarHBondContact O-N 3.18Å; H179-I181 VanDerWaalsContact O-N 3.11Å; I181-A185 HydrophobicContact CG2-CB 3.95Å; I181-I187 HydrophobicContact CD1-CD1 4.09Å
182	R	91.8	Very high	93.2	Very high	198 Å²	198	65.8 Å²	65.8	75%	0.747	33%	0.333	S	S	*	.			trans	-126.1	171.7	179	-62	-171.4	-177.2	-154.6	1	110.5	L70 Q180 G184 A185	L70-R182 WeakPolarHBondContact CD2-O 3.46Å; Q180-R182 PolarHBondContact O-N 3.18Å; R182-G184 PolarHBondContact O-N 3.35Å; R182-A185 WeakPolarHBondContact O-CB 3.4Å; R182-A185 PolarHBondContact O-N 3.23Å
183	N	93.1	Very high	92.6	Very high	101 Å²	101	68.4 Å²	68.4	54%	0.54	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.3	171.4	-170.8	64.6	0	0	0	111.1	M68 R69	M68-N183 HydrophobicContact CB-CB 4.02Å; R69-N183 PolarHBondContact N-OD1 2.94Å; R69-N183 PolarHBondContact O-OD1 3.23Å
184	G	91.9	Very high	91.6	Very high	52 Å²	52	73.2 Å²	73.2	54%	0.536	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.4	-175.6	0	0	0	0	0	115.3	R69 R182	R69-G184 PolarHBondContact O-N 2.95Å; R182-G184 PolarHBondContact O-N 3.35Å
185	A	93.5	Very high	90.1	Very high	20 Å²	20	81.4 Å²	81.4	17%	0.165	39%	0.387	C	S	.	.			trans	-67.5	147.8	179.9	0	0	0	0	0	112.8	L70 T71 L150 I181 R182	L70-A185 WeakPolarHBondContact CA-O 3.37Å; L70-A185 HydrophobicContact CD2-CB 3.95Å; T71-A185 PolarHBondContact N-O 2.66Å; L150-A185 HydrophobicContact CD1-CB 3.96Å; I181-A185 HydrophobicContact CG2-CB 3.95Å; R182-A185 WeakPolarHBondContact O-CB 3.4Å; R182-A185 PolarHBondContact O-N 3.23Å
186	M	94.1	Very high	87.6	Confident	52 Å²	52	90.7 Å²	90.7	26%	0.256	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.4	178.3	-71	-177.5	70.7	0	0	111.2	T71 L73 V151	T71-M186 CarbonylContact O-C 3.57Å; T71-M186 WeakPolarHBondContact O-CA 3.34Å; L73-M186 HydrophobicContact CB-CE 4.01Å; L73-M186 HydrophobicContact CD1-CE 4.48Å; L73-M186 HydrophobicContact CD2-CE 3.98Å; L73-M186 HydrophobicContact CG-CE 4.39Å; V151-M186 HydrophobicContact CB-CB 3.93Å; V151-M186 HydrophobicContact CG2-CB 4.27Å; V151-M186 PolarHBondContact N-O 2.9Å
187	I	95	Very high	87.2	Confident	0 Å²	0	95.3 Å²	95.3	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.2	179.2	-55.2	-59.5	0	0	0	108.8	L70 T71 L72 L73 L93 L148 A149 L150 L169 I181	L70-I187 HydrophobicContact CD1-CG1 4.42Å; T71-I187 PolarHBondContact O-N 3.21Å; L72-I187 CarbonylContact C-O 3.58Å; L72-I187 WeakPolarHBondContact CA-O 3.34Å; L73-I187 PolarHBondContact N-O 3.36Å; L93-I187 HydrophobicContact CD2-CD1 4.38Å; L93-I187 HydrophobicContact CD2-CG1 4.25Å; L93-I187 HydrophobicContact CD2-CG2 4.29Å; L148-I187 HydrophobicContact CB-CG2 3.88Å; L148-I187 HydrophobicContact CD1-CG2 4.34Å; L148-I187 HydrophobicContact CD2-CG2 4.13Å; L148-I187 HydrophobicContact CG-CG2 4.34Å; A149-I187 CarbonylContact O-C 3.49Å; A149-I187 VanDerWaalsContact O-CA 3.31Å; A149-I187 WeakPolarHBondContact O-CA 3.14Å; L150-I187 HydrophobicContact CD1-CD1 4.17Å; L169-I187 HydrophobicContact CD1-CD1 4.22Å; I181-I187 HydrophobicContact CD1-CD1 4.09Å
188	T	94.7	Very high	86.8	Confident	9 Å²	9	96.6 Å²	96.6	6%	0.055	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	169.9	174.3	-166.1	0	0	0	0	111.5	L73 L148 A149 V151 P163	L73-T188 WeakPolarHBondContact O-CB 3.49Å; L73-T188 PolarHBondContact O-OG1 3.16Å; L148-T188 CarbonylContact C-O 3.53Å; L148-T188 WeakPolarHBondContact CA-O 3.28Å; A149-T188 HydrophobicContact CB-CG2 4.37Å; A149-T188 PolarHBondContact N-O 3.3Å; A149-T188 PolarHBondContact O-N 3.29Å; V151-T188 HydrophobicContact CG2-CG2 3.68Å; P163-T188 HydrophobicContact CG-CG2 3.96Å
189	F	93.8	Very high	86.5	Confident	52 Å²	52	92.9 Å²	92.9	23%	0.228	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.1	170.8	-68.1	-77.1	0	0	0	110.6	L72 V97 W139 L142 W143 C147 L148	L72-F189 HydrophobicContact CD1-CD2 4.38Å; L72-F189 HydrophobicContact CD1-CE2 4.06Å; L72-F189 HydrophobicContact CD2-CE2 4.15Å; V97-F189 HydrophobicContact CG1-CE1 4Å; V97-F189 HydrophobicContact CG1-CE2 4.36Å; V97-F189 HydrophobicContact CG1-CZ 3.47Å; V97-F189 VanDerWaalsContact CG1-CZ 3.47Å; W139-F189 HydrophobicContact CZ3-CZ 4.49Å; L142-F189 HydrophobicContact CD1-CE1 4.34Å; L142-F189 HydrophobicContact CD2-CD1 3.94Å; L142-F189 HydrophobicContact CD2-CE1 3.55Å; L142-F189 HydrophobicContact CD2-CZ 4.44Å; W143-F189 AromaticContact CH2-CE1 3.69Å; W143-F189 HydrophobicContact CH2-CE1 3.69Å; W143-F189 HydrophobicContact CH2-CZ 4.5Å; W143-F189 HydrophobicContact CZ3-CD1 4.3Å; W143-F189 AromaticContact CZ3-CE1 3.82Å; W143-F189 HydrophobicContact CZ3-CE1 3.82Å; C147-F189 WeakPolarHBondContact O-CA 3.41Å; L148-F189 HydrophobicContact CD2-CD1 3.82Å; L148-F189 HydrophobicContact CD2-CE1 3.8Å; L148-F189 HydrophobicContact CD2-CZ 4.49Å
190	A	92.2	Very high	86.2	Confident	1 Å²	1	96 Å²	96	1%	0.008	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.2	173.7	0	0	0	0	0	110.6	K146 C147 A149 I165	K146-A190 CarbonylContact C-O 3.53Å; K146-A190 WeakPolarHBondContact CA-O 3.41Å; K146-A190 WeakPolarHBondContact CB-O 3.44Å; C147-A190 PolarHBondContact N-O 3.04Å; C147-A190 PolarHBondContact O-N 3.3Å; A149-A190 HydrophobicContact CB-CB 3.75Å; I165-A190 HydrophobicContact CD1-CB 3.69Å
191	P	90.9	Very high	85.8	Confident	69 Å²	69	91.7 Å²	91.7	45%	0.448	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	141.6	168.5	-19.9	31.5	0	0	0	110.6	R168	R168-P191 PolarHBondContact NH1-O 3.21Å
192	R	87.2	Confident	85.3	Confident	85 Å²	85	97.3 Å²	97.3	32%	0.321	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-69	145.3	171.1	-65.7	-174.9	73.7	-170.6	-2.5	110.4	W143 K144 T145 C147 D170 K194	W143-R192 PolarHBondContact O-NH1 3.44Å; K144-R192 WeakPolarHBondContact O-CD 3.5Å; T145-R192 PolarHBondContact O-N 2.87Å; C147-R192 HydrophobicContact CB-CG 3.93Å; D170-R192 IonicContact OD1-NE 3.91Å; R192-K194 PolarHBondContact O-N 3Å
193	L	80.6	Confident	84.9	Confident	117 Å²	117	90.1 Å²	90.1	61%	0.613	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-67.6	132.6	167	-65.5	174.9	0	0	0	108.3	R168 R195	R168-L193 VanDerWaalsContact NH1-CG 3.33Å; L193-R195 PolarHBondContact O-N 3.45Å
194	K	74.4	Confident	84.3	Confident	201 Å²	201	89.2 Å²	89.2	87%	0.874	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-61.6	121.5	167.8	-69.4	-174.2	178.7	-178.8	0	106.6	R192 K196	R192-K194 PolarHBondContact O-N 3Å; K194-K196 PolarHBondContact O-N 3.26Å
195	R	63.4	Low	83.6	Confident	221 Å²	221	92.3 Å²	92.3	83%	0.834	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60.4	120.5	166.4	-69.9	-177.5	177	172.8	-3.4	106.1	L193	L193-R195 PolarHBondContact O-N 3.45Å
196	K	43.7	Very low	82.7	Confident	281 Å²	281	98.9 Å²	98.9	100%	1.222	44%	0.442	S	S	*	.			trans	-66.8	0	166.1	-80.9	-175.2	174.7	-177.5	0	109	K194	K194-K196 PolarHBondContact O-N 3.26Å

Retrieved 196 of 196 residues in 76.9 ms (Link to these results)

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