A0A5K4F862_SCHMA Loading...

DUF3826 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F862, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	39.8	Very low	216 Å²	216	107.6 Å²	107.6	100%	1.064	57%	0.57	S	S	*	*				0	-53.5	0	-90.6	-172.7	-84.5	0	0	114.4	A3 C4 F5	M1-A3 PolarHBondContact O-N 2.85Å; M1-C4 PolarHBondContact O-N 3.19Å; M1-F5 PolarHBondContact O-N 2.77Å
2	K	32.2	Very low	40.3	Very low	193 Å²	193	104.2 Å²	104.2	84%	0.839	56%	0.557	S	S	*	*	H	α-helix	trans	-62.8	-39.6	-176.5	-71.6	-179	178.4	176.8	0	114.9	C4 F5 M6	K2-C4 PolarHBondContact O-N 3.18Å; K2-F5 PolarHBondContact O-N 2.92Å; K2-M6 PolarHBondContact O-N 2.89Å
3	A	36.3	Very low	40.9	Very low	69 Å²	69	99.4 Å²	99.4	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-39.4	177.6	0	0	0	0	0	112.8	M1 F5 M6 Q7	M1-A3 PolarHBondContact O-N 2.85Å; A3-F5 VanDerWaalsContact C-N 3.31Å; A3-F5 PolarHBondContact O-N 3.37Å; A3-M6 PolarHBondContact O-N 3.4Å; A3-Q7 PolarHBondContact O-N 3.15Å
4	C	37.1	Very low	41	Very low	81 Å²	81	103.8 Å²	103.8	55%	0.547	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-35.8	178.4	-61.6	0	0	0	0	112.6	M1 K2 A8	M1-C4 PolarHBondContact O-N 3.19Å; K2-C4 PolarHBondContact O-N 3.18Å; C4-A8 WeakPolarHBondContact O-CB 3Å; C4-A8 PolarHBondContact O-N 2.85Å
5	F	38.3	Very low	41.4	Very low	141 Å²	141	101.1 Å²	101.1	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-65.9	-45.9	176.5	178.9	-97.1	0	0	0	111.6	M1 K2 A3 A8 L9	M1-F5 PolarHBondContact O-N 2.77Å; K2-F5 PolarHBondContact O-N 2.92Å; A3-F5 VanDerWaalsContact C-N 3.31Å; A3-F5 PolarHBondContact O-N 3.37Å; F5-A8 PolarHBondContact O-N 2.8Å; F5-L9 HydrophobicContact CE1-CD2 4.49Å; F5-L9 WeakPolarHBondContact O-CB 3.17Å; F5-L9 PolarHBondContact O-N 2.99Å
6	M	39.4	Very low	41.6	Very low	75 Å²	75	100.4 Å²	100.4	37%	0.369	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-43.1	177.9	-75.8	-67.6	-82	0	0	111.6	K2 A3 L9 V10	K2-M6 PolarHBondContact O-N 2.89Å; A3-M6 PolarHBondContact O-N 3.4Å; M6-L9 PolarHBondContact O-N 3.12Å; M6-V10 WeakPolarHBondContact O-CB 3.31Å; M6-V10 VanDerWaalsContact O-CG2 3.3Å; M6-V10 WeakPolarHBondContact O-CG2 3.45Å; M6-V10 PolarHBondContact O-N 3.12Å
7	Q	39.8	Very low	41.8	Very low	121 Å²	121	95.4 Å²	95.4	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-61	-45.8	174	-78.3	175.3	-26	0	0	111.7	A3 L9 V10 L11	A3-Q7 PolarHBondContact O-N 3.15Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.29Å; Q7-V10 PolarHBondContact O-N 3.39Å; Q7-L11 VanDerWaalsContact O-CB 3.27Å; Q7-L11 WeakPolarHBondContact O-CB 3.04Å; Q7-L11 WeakPolarHBondContact O-CD1 3.11Å; Q7-L11 PolarHBondContact O-N 3.18Å
8	A	43.1	Very low	41.7	Very low	43 Å²	43	93.3 Å²	93.3	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-62.1	-38.8	177.7	0	0	0	0	0	112.2	C4 F5 T12	C4-A8 WeakPolarHBondContact O-CB 3Å; C4-A8 PolarHBondContact O-N 2.85Å; F5-A8 PolarHBondContact O-N 2.8Å; A8-T12 WeakPolarHBondContact O-CB 3.36Å; A8-T12 PolarHBondContact O-N 3.41Å; A8-T12 PolarHBondContact O-OG1 3.05Å
9	L	43.6	Very low	41.7	Very low	71 Å²	71	91.6 Å²	91.6	37%	0.372	48%	0.48	S	S	.	.	H	α-helix	trans	-66.6	-49	176.8	-173.4	71	0	0	0	111.3	F5 M6 Q7 L11 T12 I13	F5-L9 HydrophobicContact CE1-CD2 4.49Å; F5-L9 WeakPolarHBondContact O-CB 3.17Å; F5-L9 PolarHBondContact O-N 2.99Å; M6-L9 PolarHBondContact O-N 3.12Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.78Å; L9-T12 PolarHBondContact O-N 2.64Å; L9-I13 HydrophobicContact CG-CD1 4.07Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.1Å
10	V	46.2	Very low	41.6	Very low	74 Å²	74	90.8 Å²	90.8	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-44.1	177.1	171.7	0	0	0	0	110.7	M6 Q7 I13 Y14	M6-V10 WeakPolarHBondContact O-CB 3.31Å; M6-V10 VanDerWaalsContact O-CG2 3.3Å; M6-V10 WeakPolarHBondContact O-CG2 3.45Å; M6-V10 PolarHBondContact O-N 3.12Å; Q7-V10 PolarHBondContact O-N 3.39Å; V10-I13 PolarHBondContact O-N 3.5Å; V10-Y14 WeakPolarHBondContact O-CB 3.35Å; V10-Y14 PolarHBondContact O-N 3.21Å
11	L	45.4	Very low	41.3	Very low	100 Å²	100	90.4 Å²	90.4	52%	0.524	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-41.7	175.5	-88.2	153.9	0	0	0	112.1	Q7 L9 I13 Y14 I15	Q7-L11 VanDerWaalsContact O-CB 3.27Å; Q7-L11 WeakPolarHBondContact O-CB 3.04Å; Q7-L11 WeakPolarHBondContact O-CD1 3.11Å; Q7-L11 PolarHBondContact O-N 3.18Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.78Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-Y14 PolarHBondContact O-N 2.8Å; L11-I15 WeakPolarHBondContact O-CB 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 2.86Å
12	T	46.5	Very low	41.3	Very low	66 Å²	66	85.5 Å²	85.5	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-42.2	177.2	-56.7	0	0	0	0	110.8	A8 L9 Y14 I15 L16	A8-T12 WeakPolarHBondContact O-CB 3.36Å; A8-T12 PolarHBondContact O-N 3.41Å; A8-T12 PolarHBondContact O-OG1 3.05Å; L9-T12 PolarHBondContact O-N 2.64Å; T12-Y14 VanDerWaalsContact C-N 3.34Å; T12-I15 PolarHBondContact O-N 3.27Å; T12-L16 HydrophobicContact CG2-CD1 4.05Å; T12-L16 HydrophobicContact CG2-CG 4.5Å; T12-L16 WeakPolarHBondContact O-CB 3.48Å; T12-L16 VanDerWaalsContact O-CG 3.27Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 2.97Å
13	I	47.4	Very low	41.9	Very low	42 Å²	42	81.8 Å²	81.8	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-63.3	-42.3	175	-67.2	166.4	0	0	0	110.5	L9 V10 L11 L16 G17 L38 Y41	L9-I13 HydrophobicContact CG-CD1 4.07Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.1Å; V10-I13 PolarHBondContact O-N 3.5Å; L11-I13 VanDerWaalsContact C-N 3.35Å; I13-L16 PolarHBondContact O-N 3.32Å; I13-G17 PolarHBondContact O-N 2.91Å; I13-L38 HydrophobicContact CG2-CD2 4.42Å; I13-Y41 HydrophobicContact CG2-CD2 4.15Å
14	Y	42.9	Very low	42	Very low	161 Å²	161	80.6 Å²	80.6	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-64.3	-46	177.7	-163.2	-93.7	0	0	0	111.5	V10 L11 T12 L16 G17 V18	V10-Y14 WeakPolarHBondContact O-CB 3.35Å; V10-Y14 PolarHBondContact O-N 3.21Å; L11-Y14 PolarHBondContact O-N 2.8Å; T12-Y14 VanDerWaalsContact C-N 3.34Å; Y14-L16 PolarHBondContact O-N 3.39Å; Y14-G17 PolarHBondContact O-N 2.89Å; Y14-V18 HydrophobicContact CD1-CG2 3.83Å; Y14-V18 HydrophobicContact CE1-CG2 3.61Å; Y14-V18 WeakPolarHBondContact O-CB 3.4Å; Y14-V18 VanDerWaalsContact O-CG2 3.29Å; Y14-V18 WeakPolarHBondContact O-CG2 3.43Å; Y14-V18 PolarHBondContact O-N 2.92Å
15	I	46.2	Very low	42.1	Very low	64 Å²	64	84.8 Å²	84.8	33%	0.328	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-44.4	176.9	-69	165	0	0	0	110.8	L11 T12 G17 V18 Q19	L11-I15 WeakPolarHBondContact O-CB 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 PolarHBondContact O-N 2.86Å; T12-I15 PolarHBondContact O-N 3.27Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.14Å; I15-V18 PolarHBondContact O-N 3.42Å; I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 VanDerWaalsContact O-CB 3.27Å; I15-Q19 WeakPolarHBondContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CG 3.43Å; I15-Q19 PolarHBondContact O-N 3.48Å
16	L	44.8	Very low	42.2	Very low	90 Å²	90	80.3 Å²	80.3	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-65.3	-36.2	176.1	-73.1	170.9	0	0	0	112	T12 I13 Y14 N20	T12-L16 HydrophobicContact CG2-CD1 4.05Å; T12-L16 HydrophobicContact CG2-CG 4.5Å; T12-L16 WeakPolarHBondContact O-CB 3.48Å; T12-L16 VanDerWaalsContact O-CG 3.27Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 2.97Å; I13-L16 PolarHBondContact O-N 3.32Å; Y14-L16 PolarHBondContact O-N 3.39Å; L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 3.17Å; L16-N20 PolarHBondContact O-ND2 2.66Å
17	G	45.1	Very low	42.6	Very low	14 Å²	14	80.7 Å²	80.7	14%	0.144	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-50	173.8	0	0	0	0	0	111.8	I13 Y14 I15 N20 L21	I13-G17 PolarHBondContact O-N 2.91Å; Y14-G17 PolarHBondContact O-N 2.89Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.14Å; G17-N20 PolarHBondContact O-N 3.06Å; G17-L21 PolarHBondContact O-N 2.94Å
18	V	40.6	Very low	43.1	Very low	59 Å²	59	79.5 Å²	79.5	36%	0.358	45%	0.45	S	S	.	.	H	α-helix	trans	-66.7	-43.1	179.2	173.4	0	0	0	0	111.5	Y14 I15 N20 L21 V22	Y14-V18 HydrophobicContact CD1-CG2 3.83Å; Y14-V18 HydrophobicContact CE1-CG2 3.61Å; Y14-V18 WeakPolarHBondContact O-CB 3.4Å; Y14-V18 VanDerWaalsContact O-CG2 3.29Å; Y14-V18 WeakPolarHBondContact O-CG2 3.43Å; Y14-V18 PolarHBondContact O-N 2.92Å; I15-V18 PolarHBondContact O-N 3.42Å; V18-N20 VanDerWaalsContact C-N 3.28Å; V18-N20 PolarHBondContact O-N 3.4Å; V18-L21 CarbonylContact O-C 3.59Å; V18-L21 WeakPolarHBondContact O-CA 3.42Å; V18-L21 WeakPolarHBondContact O-CB 3.38Å; V18-L21 PolarHBondContact O-N 3.03Å; V18-V22 HydrophobicContact CG1-CG2 4Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.42Å
19	Q	41.2	Very low	43.6	Very low	61 Å²	61	82.9 Å²	82.9	29%	0.285	46%	0.459	S	S	.	.	H	α-helix	trans	-57.3	-43.1	175.9	-87.6	-177.7	-33.7	0	0	111.6	I15 L21 V22 T23 L179	I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 VanDerWaalsContact O-CB 3.27Å; I15-Q19 WeakPolarHBondContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CG 3.43Å; I15-Q19 PolarHBondContact O-N 3.48Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-V22 PolarHBondContact O-N 3.05Å; Q19-T23 WeakPolarHBondContact O-CB 3.42Å; Q19-T23 PolarHBondContact O-N 3.36Å; Q19-T23 PolarHBondContact O-OG1 3.18Å; Q19-L179 VanDerWaalsContact NE2-CD1 3.27Å
20	N	39.7	Very low	43.8	Very low	74 Å²	74	82.2 Å²	82.2	40%	0.396	46%	0.457	S	S	.	.	H	α-helix	trans	-68.7	-30.7	176.2	-76.8	-47.5	0	0	0	112.8	L16 G17 V18 I34	L16-N20 WeakPolarHBondContact O-CB 3.42Å; L16-N20 PolarHBondContact O-N 3.17Å; L16-N20 PolarHBondContact O-ND2 2.66Å; G17-N20 PolarHBondContact O-N 3.06Å; V18-N20 VanDerWaalsContact C-N 3.28Å; V18-N20 PolarHBondContact O-N 3.4Å; N20-I34 HydrophobicContact CB-CD1 3.76Å; N20-I34 HydrophobicContact CB-CG1 4.5Å
21	L	35	Very low	43.7	Very low	84 Å²	84	82.4 Å²	82.4	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-69.9	-39.1	173	-97.8	140.8	0	0	0	112.7	G17 V18 Q19 I26 L31	G17-L21 PolarHBondContact O-N 2.94Å; V18-L21 CarbonylContact O-C 3.59Å; V18-L21 WeakPolarHBondContact O-CA 3.42Å; V18-L21 WeakPolarHBondContact O-CB 3.38Å; V18-L21 PolarHBondContact O-N 3.03Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; L21-I26 HydrophobicContact CB-CD1 4.24Å; L21-I26 HydrophobicContact CD2-CD1 3.64Å; L21-I26 HydrophobicContact CG-CD1 4.03Å; L21-I26 VanDerWaalsContact O-CD1 3.23Å; L21-I26 WeakPolarHBondContact O-CD1 3.35Å; L21-L31 HydrophobicContact CD2-CD2 4.47Å
22	V	37.2	Very low	44	Very low	113 Å²	113	82.7 Å²	82.7	69%	0.685	45%	0.452	S	S	*	.	H	α-helix	trans	-86.7	-29.2	-172.4	177.9	0	0	0	0	112.6	V18 Q19	V18-V22 HydrophobicContact CG1-CG2 4Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-V22 PolarHBondContact O-N 3.42Å; Q19-V22 PolarHBondContact O-N 3.05Å
23	T	44.8	Very low	44.3	Very low	114 Å²	114	83.7 Å²	83.7	70%	0.699	46%	0.455	S	S	*	.	H	α-helix	trans	-99.7	-5.9	-168	58.7	0	0	0	0	116.2	Q19	Q19-T23 WeakPolarHBondContact O-CB 3.42Å; Q19-T23 PolarHBondContact O-N 3.36Å; Q19-T23 PolarHBondContact O-OG1 3.18Å
24	A	38	Very low	44.3	Very low	45 Å²	45	82.8 Å²	82.8	37%	0.372	45%	0.45	S	S	.	.	S	Bend	trans	-117.9	137.1	175.9	0	0	0	0	0	109.5	I26	A24-I26 WeakPolarHBondContact O-CG1 3.27Å; A24-I26 PolarHBondContact O-N 2.94Å
25	D	39.5	Very low	44.6	Very low	168 Å²	168	81.6 Å²	81.6	90%	0.898	45%	0.446	S	S	*	.			trans	-53.3	93.9	152.4	-83.9	-42.9	0	0	0	106.7	T27	D25-T27 PolarHBondContact O-N 3.37Å
26	I	39.7	Very low	45.1	Very low	47 Å²	47	83.6 Å²	83.6	24%	0.241	45%	0.452	C	S	.	.			trans	-77.5	101.9	-163.6	-32.9	169	0	0	0	107.8	L21 A24 V30 L31	L21-I26 HydrophobicContact CB-CD1 4.24Å; L21-I26 HydrophobicContact CD2-CD1 3.64Å; L21-I26 HydrophobicContact CG-CD1 4.03Å; L21-I26 VanDerWaalsContact O-CD1 3.23Å; L21-I26 WeakPolarHBondContact O-CD1 3.35Å; A24-I26 WeakPolarHBondContact O-CG1 3.27Å; A24-I26 PolarHBondContact O-N 2.94Å; I26-V30 HydrophobicContact CG2-CB 3.76Å; I26-V30 HydrophobicContact CG2-CG1 3.74Å; I26-L31 HydrophobicContact CB-CD1 4.03Å; I26-L31 HydrophobicContact CB-CG 4.15Å; I26-L31 HydrophobicContact CD1-CD1 4.36Å; I26-L31 HydrophobicContact CD1-CG 4.25Å; I26-L31 HydrophobicContact CG2-CB 4.16Å; I26-L31 HydrophobicContact CG2-CD1 3.97Å; I26-L31 HydrophobicContact CG2-CG 3.57Å
27	T	47.7	Very low	45.4	Very low	83 Å²	83	84.3 Å²	84.3	51%	0.509	45%	0.452	S	S	.	.			trans	-60.8	147.7	166.7	62.7	0	0	0	0	108.9	D25 E29 V30 L31	D25-T27 PolarHBondContact O-N 3.37Å; T27-E29 PolarHBondContact O-N 3.43Å; T27-V30 PolarHBondContact O-N 2.89Å; T27-V30 WeakPolarHBondContact OG1-CG2 3.45Å; T27-L31 PolarHBondContact O-N 3.26Å
28	S	50.6	Low	45.5	Very low	96 Å²	96	87.1 Å²	87.1	67%	0.671	46%	0.463	S	S	*	.	H	α-helix	trans	-46	-37.3	175.2	161.1	0	0	0	0	112.4	L31 K32	S28-L31 PolarHBondContact O-N 2.96Å; S28-K32 VanDerWaalsContact O-CB 3.28Å; S28-K32 WeakPolarHBondContact O-CB 3.29Å; S28-K32 PolarHBondContact O-N 3.4Å
29	E	54.2	Low	46.1	Very low	115 Å²	115	89.7 Å²	89.7	54%	0.537	47%	0.469	S	S	.	.	H	α-helix	trans	-64.9	-41.8	179.1	-155.9	70.2	-149.5	0	0	112.9	T27 K32 N33	T27-E29 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-N 3.4Å; E29-N33 WeakPolarHBondContact O-CB 3.3Å; E29-N33 PolarHBondContact O-N 3.34Å; E29-N33 PolarHBondContact O-ND2 3.41Å
30	V	46.3	Very low	46.8	Very low	56 Å²	56	91 Å²	91	34%	0.339	48%	0.475	S	S	.	.	H	α-helix	trans	-68.9	-43.4	178.5	175.1	0	0	0	0	110.2	I26 T27 K32 N33 I34	I26-V30 HydrophobicContact CG2-CB 3.76Å; I26-V30 HydrophobicContact CG2-CG1 3.74Å; T27-V30 PolarHBondContact O-N 2.89Å; T27-V30 WeakPolarHBondContact OG1-CG2 3.45Å; V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 PolarHBondContact O-N 3.01Å; V30-N33 PolarHBondContact O-N 3.05Å; V30-I34 HydrophobicContact CG1-CD1 3.91Å; V30-I34 HydrophobicContact CG1-CG1 4.47Å; V30-I34 VanDerWaalsContact O-CG1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.04Å
31	L	44.8	Very low	47.1	Very low	79 Å²	79	90.4 Å²	90.4	41%	0.414	47%	0.468	S	S	.	.	H	α-helix	trans	-56.9	-45.1	173	-99.1	156.1	0	0	0	111.6	L21 I26 T27 S28 I34 Y35	L21-L31 HydrophobicContact CD2-CD2 4.47Å; I26-L31 HydrophobicContact CB-CD1 4.03Å; I26-L31 HydrophobicContact CB-CG 4.15Å; I26-L31 HydrophobicContact CD1-CD1 4.36Å; I26-L31 HydrophobicContact CD1-CG 4.25Å; I26-L31 HydrophobicContact CG2-CB 4.16Å; I26-L31 HydrophobicContact CG2-CD1 3.97Å; I26-L31 HydrophobicContact CG2-CG 3.57Å; T27-L31 PolarHBondContact O-N 3.26Å; S28-L31 PolarHBondContact O-N 2.96Å; L31-I34 PolarHBondContact O-N 3.07Å; L31-Y35 WeakPolarHBondContact O-CB 3.31Å; L31-Y35 PolarHBondContact O-N 2.78Å
32	K	51.8	Low	47.7	Very low	105 Å²	105	89.6 Å²	89.6	46%	0.457	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-43.2	177.8	-167.6	-178.8	-175.2	-175.7	0	111.7	S28 E29 V30 Y35 F36	S28-K32 VanDerWaalsContact O-CB 3.28Å; S28-K32 WeakPolarHBondContact O-CB 3.29Å; S28-K32 PolarHBondContact O-N 3.4Å; E29-K32 PolarHBondContact O-N 3.4Å; V30-K32 VanDerWaalsContact C-N 3.31Å; V30-K32 PolarHBondContact O-N 3.01Å; K32-Y35 PolarHBondContact O-N 3.34Å; K32-F36 HydrophobicContact CD-CE2 4.09Å; K32-F36 HydrophobicContact CG-CD2 3.98Å; K32-F36 HydrophobicContact CG-CE2 3.52Å; K32-F36 HydrophobicContact CG-CZ 4.37Å; K32-F36 WeakPolarHBondContact O-CD2 3.42Å; K32-F36 PolarHBondContact O-N 3.39Å
33	N	53.4	Low	48.7	Very low	87 Å²	87	88.1 Å²	88.1	47%	0.465	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-39.4	176	-76.1	-31	0	0	0	112.7	E29 V30 F36 K37	E29-N33 WeakPolarHBondContact O-CB 3.3Å; E29-N33 PolarHBondContact O-N 3.34Å; E29-N33 PolarHBondContact O-ND2 3.41Å; V30-N33 PolarHBondContact O-N 3.05Å; N33-F36 PolarHBondContact O-N 3.21Å; N33-K37 WeakPolarHBondContact O-CG 3.4Å; N33-K37 PolarHBondContact O-N 3.22Å
34	I	46.8	Very low	49	Very low	23 Å²	23	85.7 Å²	85.7	12%	0.118	43%	0.432	C	S	.	.	H	α-helix	trans	-63.8	-46.9	174.1	-68.1	165.7	0	0	0	110.1	N20 V30 L31 F36 K37 L38	N20-I34 HydrophobicContact CB-CD1 3.76Å; N20-I34 HydrophobicContact CB-CG1 4.5Å; V30-I34 HydrophobicContact CG1-CD1 3.91Å; V30-I34 HydrophobicContact CG1-CG1 4.47Å; V30-I34 VanDerWaalsContact O-CG1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.04Å; L31-I34 PolarHBondContact O-N 3.07Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.94Å; I34-K37 PolarHBondContact O-N 3.47Å; I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.27Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 WeakPolarHBondContact O-CG 3.4Å; I34-L38 PolarHBondContact O-N 2.94Å
35	Y	49.9	Very low	49.3	Very low	137 Å²	137	86.2 Å²	86.2	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-57	-46.3	176.8	171.2	-100.2	0	0	0	111.8	L31 K32 K37 L38 K39	L31-Y35 WeakPolarHBondContact O-CB 3.31Å; L31-Y35 PolarHBondContact O-N 2.78Å; K32-Y35 PolarHBondContact O-N 3.34Å; Y35-K37 PolarHBondContact O-N 3.4Å; Y35-L38 PolarHBondContact O-N 2.82Å; Y35-K39 WeakPolarHBondContact O-CB 3.1Å; Y35-K39 PolarHBondContact O-N 3.47Å
36	F	56.9	Low	50	Low	106 Å²	106	82.5 Å²	82.5	47%	0.465	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176.9	-75.7	-54.7	0	0	0	112.5	K32 N33 I34 K39 E40	K32-F36 HydrophobicContact CD-CE2 4.09Å; K32-F36 HydrophobicContact CG-CD2 3.98Å; K32-F36 HydrophobicContact CG-CE2 3.52Å; K32-F36 HydrophobicContact CG-CZ 4.37Å; K32-F36 WeakPolarHBondContact O-CD2 3.42Å; K32-F36 PolarHBondContact O-N 3.39Å; N33-F36 PolarHBondContact O-N 3.21Å; I34-F36 VanDerWaalsContact C-N 3.34Å; I34-F36 PolarHBondContact O-N 2.94Å; F36-K39 PolarHBondContact O-N 2.97Å; F36-E40 WeakPolarHBondContact O-CB 3.39Å; F36-E40 PolarHBondContact O-N 2.93Å
37	K	51.3	Low	50.5	Low	105 Å²	105	83.5 Å²	83.5	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-43.5	175	-77.4	-173.7	175.9	-174.8	0	112.1	N33 I34 Y35 K39 E40 Y41	N33-K37 WeakPolarHBondContact O-CG 3.4Å; N33-K37 PolarHBondContact O-N 3.22Å; I34-K37 PolarHBondContact O-N 3.47Å; Y35-K37 PolarHBondContact O-N 3.4Å; K37-K39 VanDerWaalsContact C-N 3.34Å; K37-K39 PolarHBondContact O-N 3.35Å; K37-E40 WeakPolarHBondContact O-CB 3.22Å; K37-E40 PolarHBondContact O-N 2.89Å; K37-Y41 HydrophobicContact CB-CE2 4.14Å; K37-Y41 WeakPolarHBondContact O-CD2 3.37Å; K37-Y41 VanDerWaalsContact O-CG 3.31Å; K37-Y41 PolarHBondContact O-N 3.37Å
38	L	45.5	Very low	50.5	Low	73 Å²	73	83 Å²	83	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-41	176.6	-74.5	172.7	0	0	0	111.9	I13 I34 Y35 Y41 T42	I13-L38 HydrophobicContact CG2-CD2 4.42Å; I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.27Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 WeakPolarHBondContact O-CG 3.4Å; I34-L38 PolarHBondContact O-N 2.94Å; Y35-L38 PolarHBondContact O-N 2.82Å; L38-Y41 PolarHBondContact O-N 3.31Å; L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.24Å; L38-T42 PolarHBondContact O-OG1 3.37Å
39	K	53.8	Low	50.4	Low	112 Å²	112	83.9 Å²	83.9	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-45.2	174.7	-170.1	177.6	-179.5	-179.1	0	111.2	Y35 F36 K37 Y41 T42 E43	Y35-K39 WeakPolarHBondContact O-CB 3.1Å; Y35-K39 PolarHBondContact O-N 3.47Å; F36-K39 PolarHBondContact O-N 2.97Å; K37-K39 VanDerWaalsContact C-N 3.34Å; K37-K39 PolarHBondContact O-N 3.35Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; K39-Y41 PolarHBondContact O-N 2.9Å; K39-T42 PolarHBondContact O-N 2.96Å; K39-E43 PolarHBondContact O-N 2.91Å
40	E	55.9	Low	50.3	Low	88 Å²	88	85.2 Å²	85.2	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-44	175.7	-168.7	-168	157.1	0	0	111.6	F36 K37 E43 K44	F36-E40 WeakPolarHBondContact O-CB 3.39Å; F36-E40 PolarHBondContact O-N 2.93Å; K37-E40 WeakPolarHBondContact O-CB 3.22Å; K37-E40 PolarHBondContact O-N 2.89Å; E40-E43 PolarHBondContact O-N 3.34Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 2.86Å; E40-K44 VanDerWaalsContact OE1-CE 3.26Å; E40-K44 WeakPolarHBondContact OE1-CE 3.4Å; E40-K44 IonicContact OE1-NZ 3.77Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å
41	Y	46.8	Very low	50.4	Low	62 Å²	62	85 Å²	85	24%	0.243	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-39.7	176.4	-68.2	-45.6	0	0	0	112.6	I13 K37 L38 K39 E43 K44 I45	I13-Y41 HydrophobicContact CG2-CD2 4.15Å; K37-Y41 HydrophobicContact CB-CE2 4.14Å; K37-Y41 WeakPolarHBondContact O-CD2 3.37Å; K37-Y41 VanDerWaalsContact O-CG 3.31Å; K37-Y41 PolarHBondContact O-N 3.37Å; L38-Y41 PolarHBondContact O-N 3.31Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; K39-Y41 PolarHBondContact O-N 2.9Å; Y41-E43 VanDerWaalsContact C-N 3.34Å; Y41-E43 PolarHBondContact O-N 2.91Å; Y41-K44 PolarHBondContact O-N 3.4Å; Y41-I45 WeakPolarHBondContact O-CG1 3.36Å; Y41-I45 PolarHBondContact O-N 3.03Å
42	T	46.1	Very low	50.5	Low	68 Å²	68	87.9 Å²	87.9	42%	0.417	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.9	-57.6	0	0	0	0	111	L38 K39 I45 K46	L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.24Å; L38-T42 PolarHBondContact O-OG1 3.37Å; K39-T42 PolarHBondContact O-N 2.96Å; T42-I45 PolarHBondContact O-N 3.27Å; T42-K46 PolarHBondContact O-N 3.21Å
43	E	58.7	Low	50.4	Low	82 Å²	82	87.7 Å²	87.7	38%	0.383	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-37.1	176.4	-69.9	-54.2	130.9	0	0	112.2	K39 E40 Y41 I45 K46 M47	K39-E43 PolarHBondContact O-N 2.91Å; E40-E43 PolarHBondContact O-N 3.34Å; Y41-E43 VanDerWaalsContact C-N 3.34Å; Y41-E43 PolarHBondContact O-N 2.91Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 3.46Å; E43-K46 PolarHBondContact O-N 2.85Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 2.88Å; E43-M47 WeakPolarHBondContact O-CB 3.37Å; E43-M47 PolarHBondContact O-N 3.37Å
44	K	50.5	Low	50.1	Low	63 Å²	63	86.8 Å²	86.8	27%	0.274	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-38.1	171.7	-73.9	175.9	-176	170.2	0	112.2	E40 Y41 M47 L48	E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 2.86Å; E40-K44 VanDerWaalsContact OE1-CE 3.26Å; E40-K44 WeakPolarHBondContact OE1-CE 3.4Å; E40-K44 IonicContact OE1-NZ 3.77Å; E40-K44 PolarHBondContact OE1-NZ 3.01Å; Y41-K44 PolarHBondContact O-N 3.4Å; K44-M47 WeakPolarHBondContact O-CB 3.27Å; K44-M47 PolarHBondContact O-N 2.94Å; K44-L48 WeakPolarHBondContact O-CG 3.48Å; K44-L48 PolarHBondContact O-N 3.16Å
45	I	46.1	Very low	50.1	Low	55 Å²	55	90.8 Å²	90.8	28%	0.282	41%	0.414	S	S	.	.	H	α-helix	trans	-65.9	-48.3	175.6	-70	167.5	0	0	0	110.6	Y41 T42 E43 M47 L48 E49	Y41-I45 WeakPolarHBondContact O-CG1 3.36Å; Y41-I45 PolarHBondContact O-N 3.03Å; T42-I45 PolarHBondContact O-N 3.27Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 3.46Å; I45-M47 PolarHBondContact O-N 2.91Å; I45-L48 CarbonylContact O-C 3.59Å; I45-L48 WeakPolarHBondContact O-CA 3.47Å; I45-L48 WeakPolarHBondContact O-CB 3.49Å; I45-L48 PolarHBondContact O-N 2.84Å; I45-E49 HydrophobicContact CG2-CG 4.48Å; I45-E49 PolarHBondContact O-N 3.47Å
46	K	53.5	Low	49.9	Very low	91 Å²	91	90.8 Å²	90.8	40%	0.396	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-35.4	174.8	-70.3	178.2	-173.4	165.8	0	112.4	T42 E43 E49 R50	T42-K46 PolarHBondContact O-N 3.21Å; E43-K46 PolarHBondContact O-N 2.85Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 2.88Å; K46-E49 PolarHBondContact O-N 3.44Å; K46-R50 PolarHBondContact O-N 3.49Å
47	M	50.1	Low	49.3	Very low	67 Å²	67	92 Å²	92	33%	0.33	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-39.3	174.3	-166.7	-171.5	78	0	0	111.6	E43 K44 I45 R51 T134	E43-M47 WeakPolarHBondContact O-CB 3.37Å; E43-M47 PolarHBondContact O-N 3.37Å; K44-M47 WeakPolarHBondContact O-CB 3.27Å; K44-M47 PolarHBondContact O-N 2.94Å; I45-M47 PolarHBondContact O-N 2.91Å; M47-R51 WeakPolarHBondContact O-CB 3.48Å; M47-R51 WeakPolarHBondContact O-CG 3.49Å; M47-R51 PolarHBondContact O-N 3.49Å; M47-T134 HydrophobicContact CE-CG2 4.26Å
48	L	47.1	Very low	48.8	Very low	73 Å²	73	90.2 Å²	90.2	38%	0.382	42%	0.422	S	S	.	.	H	α-helix	trans	-68.2	-34.8	174.2	-70.6	170.5	0	0	0	112.6	K44 I45 R51 K52	K44-L48 WeakPolarHBondContact O-CG 3.48Å; K44-L48 PolarHBondContact O-N 3.16Å; I45-L48 CarbonylContact O-C 3.59Å; I45-L48 WeakPolarHBondContact O-CA 3.47Å; I45-L48 WeakPolarHBondContact O-CB 3.49Å; I45-L48 PolarHBondContact O-N 2.84Å; L48-R51 CarbonylContact O-C 3.55Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 3.46Å; L48-K52 PolarHBondContact O-N 2.91Å
49	E	49.2	Very low	48.7	Very low	114 Å²	114	89.3 Å²	89.3	53%	0.533	43%	0.43	S	S	.	.	H	α-helix	trans	-68.5	-43.9	174.3	-73.2	179.2	157.6	0	0	111.8	I45 K46 R51 K52 I53	I45-E49 HydrophobicContact CG2-CG 4.48Å; I45-E49 PolarHBondContact O-N 3.47Å; K46-E49 PolarHBondContact O-N 3.44Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.91Å; E49-K52 VanDerWaalsContact O-CB 3.31Å; E49-K52 WeakPolarHBondContact O-CB 3.48Å; E49-K52 PolarHBondContact O-N 3.26Å; E49-I53 PolarHBondContact O-N 3.25Å; E49-I53 VanDerWaalsContact O-N 3.17Å
50	R	52.6	Low	48.2	Very low	143 Å²	143	89.1 Å²	89.1	54%	0.54	44%	0.443	S	S	.	.	H	α-helix	trans	-57.8	-46	170	-82.7	-175.9	-86.3	-145.2	-0.4	111.5	K46 K52 I53 E54	K46-R50 PolarHBondContact O-N 3.49Å; R50-K52 PolarHBondContact O-N 3.44Å; R50-I53 WeakPolarHBondContact O-CB 3.32Å; R50-I53 PolarHBondContact O-N 3.48Å; R50-E54 WeakPolarHBondContact O-CG 3.44Å; R50-E54 PolarHBondContact O-N 3.31Å
51	R	48.2	Very low	47.3	Very low	53 Å²	53	90 Å²	90	20%	0.2	44%	0.443	C	S	.	.	H	α-helix	trans	-59.3	-31.7	172.4	-83.1	177.7	172.2	-179.8	4.1	113.8	M47 L48 E49 I53 E54 I55 A131	M47-R51 WeakPolarHBondContact O-CB 3.48Å; M47-R51 WeakPolarHBondContact O-CG 3.49Å; M47-R51 PolarHBondContact O-N 3.49Å; L48-R51 CarbonylContact O-C 3.55Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 3.46Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.91Å; R51-I53 VanDerWaalsContact C-N 3.35Å; R51-E54 WeakPolarHBondContact CA-OE2 3.35Å; R51-E54 PolarHBondContact O-N 3.48Å; R51-I55 WeakPolarHBondContact O-CB 3.49Å; R51-I55 WeakPolarHBondContact O-CD1 3.48Å; R51-I55 WeakPolarHBondContact O-CG1 3.04Å; R51-I55 PolarHBondContact O-N 3.38Å; R51-A131 PolarHBondContact NH2-O 2.86Å; R51-A131 VanDerWaalsContact NH2-O 3.1Å
52	K	46	Very low	46.9	Very low	139 Å²	139	93.7 Å²	93.7	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-65.9	-41.7	175.5	-179.1	-172	170.3	-167.8	0	110.6	L48 E49 R50 I55 Q56	L48-K52 PolarHBondContact O-N 2.91Å; E49-K52 VanDerWaalsContact O-CB 3.31Å; E49-K52 WeakPolarHBondContact O-CB 3.48Å; E49-K52 PolarHBondContact O-N 3.26Å; R50-K52 PolarHBondContact O-N 3.44Å; K52-I55 PolarHBondContact O-N 3.49Å; K52-Q56 WeakPolarHBondContact O-CG 3.27Å; K52-Q56 PolarHBondContact O-N 2.89Å
53	I	50.8	Low	46.8	Very low	101 Å²	101	94.7 Å²	94.7	52%	0.518	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-45.4	175.2	-62.2	168.9	0	0	0	109.5	E49 R50 R51 I55 Q56 E57	E49-I53 PolarHBondContact O-N 3.25Å; E49-I53 VanDerWaalsContact O-N 3.17Å; R50-I53 WeakPolarHBondContact O-CB 3.32Å; R50-I53 PolarHBondContact O-N 3.48Å; R51-I53 VanDerWaalsContact C-N 3.35Å; I53-I55 VanDerWaalsContact C-N 3.33Å; I53-I55 PolarHBondContact O-N 3.34Å; I53-Q56 WeakPolarHBondContact O-CA 3.43Å; I53-Q56 WeakPolarHBondContact O-CB 3.44Å; I53-Q56 PolarHBondContact O-N 3.41Å; I53-E57 PolarHBondContact O-N 2.95Å
54	E	47.1	Very low	46.3	Very low	68 Å²	68	99.1 Å²	99.1	32%	0.318	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-35	176.1	-65.4	161.6	-174.8	0	0	112.5	R50 R51 Q56 E57 L58 F127	R50-E54 WeakPolarHBondContact O-CG 3.44Å; R50-E54 PolarHBondContact O-N 3.31Å; R51-E54 WeakPolarHBondContact CA-OE2 3.35Å; R51-E54 PolarHBondContact O-N 3.48Å; E54-Q56 VanDerWaalsContact C-N 3.32Å; E54-E57 CarbonylContact O-C 3.38Å; E54-E57 WeakPolarHBondContact O-CB 3.39Å; E54-E57 PolarHBondContact O-N 3.36Å; E54-L58 PolarHBondContact O-N 2.84Å; E54-F127 VanDerWaalsContact OE2-CZ 3.27Å; E54-F127 WeakPolarHBondContact OE2-CZ 3.49Å
55	I	45.5	Very low	46.1	Very low	106 Å²	106	102.6 Å²	102.6	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-69.4	-30.3	172.9	-70.2	163.2	0	0	0	111.8	R51 K52 I53 E57 L58 G59	R51-I55 WeakPolarHBondContact O-CB 3.49Å; R51-I55 WeakPolarHBondContact O-CD1 3.48Å; R51-I55 WeakPolarHBondContact O-CG1 3.04Å; R51-I55 PolarHBondContact O-N 3.38Å; K52-I55 PolarHBondContact O-N 3.49Å; I53-I55 VanDerWaalsContact C-N 3.33Å; I53-I55 PolarHBondContact O-N 3.34Å; I55-E57 VanDerWaalsContact C-N 3.31Å; I55-L58 HydrophobicContact CG1-CD1 4.04Å; I55-L58 WeakPolarHBondContact O-CB 3.27Å; I55-L58 PolarHBondContact O-N 3.2Å; I55-G59 PolarHBondContact O-N 3.03Å
56	Q	46.5	Very low	46.7	Very low	137 Å²	137	102.9 Å²	102.9	64%	0.64	51%	0.513	S	S	*	.	H	α-helix	trans	-67.9	-35.9	170.5	-72.4	178.3	-57.1	0	0	110.9	K52 I53 E54 G59	K52-Q56 WeakPolarHBondContact O-CG 3.27Å; K52-Q56 PolarHBondContact O-N 2.89Å; I53-Q56 WeakPolarHBondContact O-CA 3.43Å; I53-Q56 WeakPolarHBondContact O-CB 3.44Å; I53-Q56 PolarHBondContact O-N 3.41Å; E54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-G59 PolarHBondContact O-N 3.48Å
57	E	43.4	Very low	46.9	Very low	133 Å²	133	101.8 Å²	101.8	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-64.8	-39.1	170.1	-66.4	179.5	164.1	0	0	111.4	I53 E54 I55 G59 S60	I53-E57 PolarHBondContact O-N 2.95Å; E54-E57 CarbonylContact O-C 3.38Å; E54-E57 WeakPolarHBondContact O-CB 3.39Å; E54-E57 PolarHBondContact O-N 3.36Å; I55-E57 VanDerWaalsContact C-N 3.31Å; E57-G59 PolarHBondContact O-N 2.96Å; E57-S60 PolarHBondContact O-N 3.12Å; E57-S60 PolarHBondContact O-OG 3.15Å
58	L	42	Very low	47.6	Very low	67 Å²	67	105.5 Å²	105.5	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-58.9	-26.7	173.6	-77.7	165.1	0	0	0	113.5	E54 I55 S60 Y61 F70	E54-L58 PolarHBondContact O-N 2.84Å; I55-L58 HydrophobicContact CG1-CD1 4.04Å; I55-L58 WeakPolarHBondContact O-CB 3.27Å; I55-L58 PolarHBondContact O-N 3.2Å; L58-S60 PolarHBondContact O-N 3.41Å; L58-S60 VanDerWaalsContact O-N 3.1Å; L58-Y61 PolarHBondContact O-N 3.1Å; L58-Y61 VanDerWaalsContact O-N 3.07Å; L58-F70 HydrophobicContact CD2-CZ 4.45Å
59	G	43.2	Very low	48.5	Very low	54 Å²	54	105 Å²	105	56%	0.557	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	174.1	0	0	0	0	0	113.9	I55 Q56 E57	I55-G59 PolarHBondContact O-N 3.03Å; Q56-G59 PolarHBondContact O-N 3.48Å; E57-G59 PolarHBondContact O-N 2.96Å
60	S	42.6	Very low	49.3	Very low	108 Å²	108	102 Å²	102	76%	0.755	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.1	176.2	63.1	0	0	0	0	115.2	E57 L58 E62	E57-S60 PolarHBondContact O-N 3.12Å; E57-S60 PolarHBondContact O-OG 3.15Å; L58-S60 PolarHBondContact O-N 3.41Å; L58-S60 VanDerWaalsContact O-N 3.1Å; S60-E62 VanDerWaalsContact C-N 3.35Å
61	Y	38.2	Very low	49.9	Very low	105 Å²	105	102 Å²	102	41%	0.412	50%	0.504	S	S	.	.			trans	-93.5	12.4	-177.9	-145.1	-90.4	0	0	0	113.4	L58 T63 Y124	L58-Y61 PolarHBondContact O-N 3.1Å; L58-Y61 VanDerWaalsContact O-N 3.07Å; Y61-T63 VanDerWaalsContact C-N 3.31Å; Y61-T63 PolarHBondContact O-N 3.17Å; Y61-Y124 HydrophobicContact CD2-CE2 4.47Å; Y61-Y124 HydrophobicContact CE2-CD2 4.48Å; Y61-Y124 AromaticContact CE2-CE2 3.77Å; Y61-Y124 HydrophobicContact CE2-CE2 3.77Å; Y61-Y124 AromaticContact CE2-CZ 3.92Å
62	E	37.9	Very low	50.9	Low	141 Å²	141	103.6 Å²	103.6	66%	0.659	52%	0.517	S	S	*	.			trans	-77	70.5	-171.1	-140.1	176.7	-141.5	0	0	112.4	S60	S60-E62 VanDerWaalsContact C-N 3.35Å
63	T	43.7	Very low	52	Low	88 Å²	88	97.4 Å²	97.4	54%	0.54	49%	0.49	S	S	.	.			trans	-92.7	119	154.6	26.9	0	0	0	0	108.4	Y61 N65 D66	Y61-T63 VanDerWaalsContact C-N 3.31Å; Y61-T63 PolarHBondContact O-N 3.17Å; T63-N65 PolarHBondContact O-N 3.23Å; T63-D66 WeakPolarHBondContact CB-OD2 3.43Å; T63-D66 WeakPolarHBondContact O-CB 3.49Å; T63-D66 PolarHBondContact O-N 3.24Å; T63-D66 PolarHBondContact OG1-OD2 3.19Å
64	Q	47.5	Very low	52.8	Low	175 Å²	175	95 Å²	95	82%	0.818	48%	0.478	S	S	*	.	H	α-helix	trans	-55.7	-16.4	-159.9	-73.4	-179.7	-19.4	0	0	117.6
65	N	46.4	Very low	54	Low	137 Å²	137	95.5 Å²	95.5	73%	0.733	48%	0.482	S	S	*	.	H	α-helix	trans	-81.7	-26.7	173.9	-76.6	-23.6	0	0	0	112.8	T63	T63-N65 PolarHBondContact O-N 3.23Å
66	D	58.4	Low	55.6	Low	60 Å²	60	91.5 Å²	91.5	32%	0.321	46%	0.46	S	S	.	.	H	α-helix	trans	-80	-29.1	-173.6	-55.9	-35.5	0	0	0	111.4	T63 K68 Q69 F70	T63-D66 WeakPolarHBondContact CB-OD2 3.43Å; T63-D66 WeakPolarHBondContact O-CB 3.49Å; T63-D66 PolarHBondContact O-N 3.24Å; T63-D66 PolarHBondContact OG1-OD2 3.19Å; D66-K68 PolarHBondContact O-N 3.07Å; D66-Q69 PolarHBondContact O-N 3.02Å; D66-F70 WeakPolarHBondContact O-CB 3.21Å; D66-F70 PolarHBondContact O-N 3.35Å
67	E	58.4	Low	56.8	Low	69 Å²	69	85 Å²	85	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-66	-42.5	-178.5	-163.2	-163	160.7	0	0	112.5	F70 R71	E67-F70 PolarHBondContact O-N 3.26Å; E67-R71 WeakPolarHBondContact O-CB 3.3Å; E67-R71 VanDerWaalsContact O-CG 3.25Å; E67-R71 WeakPolarHBondContact O-CG 3.48Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 IonicContact OE1-CZ 2.63Å; E67-R71 IonicContact OE1-NE 2.78Å; E67-R71 PolarHBondContact OE1-NE 2.87Å; E67-R71 IonicContact OE1-NH2 3.74Å; E67-R71 PolarHBondContact OE1-NH2 3.22Å
68	K	65.6	Low	58.5	Low	145 Å²	145	81.1 Å²	81.1	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-65.9	-47.8	178.7	-176.4	-175.4	173.6	-170.9	0	110.8	D66 F70 R71 D72	D66-K68 PolarHBondContact O-N 3.07Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.35Å; K68-R71 PolarHBondContact O-N 2.81Å; K68-D72 WeakPolarHBondContact O-CB 3.47Å; K68-D72 PolarHBondContact O-N 3.34Å
69	Q	66.2	Low	60.2	Low	63 Å²	63	85.8 Å²	85.8	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-42.1	177.6	-69.1	-175.7	-18.1	0	0	111.2	D66 D72 E73	D66-Q69 PolarHBondContact O-N 3.02Å; Q69-D72 PolarHBondContact O-N 2.91Å; Q69-E73 WeakPolarHBondContact O-CB 3.3Å; Q69-E73 PolarHBondContact O-N 3.44Å
70	F	65.2	Low	62.1	Low	49 Å²	49	84 Å²	84	22%	0.215	40%	0.402	C	S	.	.	H	α-helix	trans	-60.6	-45.5	174.4	-177.2	-100.3	0	0	0	112.9	L58 D66 E67 K68 E73 I74 F125 V128	L58-F70 HydrophobicContact CD2-CZ 4.45Å; D66-F70 WeakPolarHBondContact O-CB 3.21Å; D66-F70 PolarHBondContact O-N 3.35Å; E67-F70 PolarHBondContact O-N 3.26Å; K68-F70 VanDerWaalsContact C-N 3.29Å; K68-F70 PolarHBondContact O-N 3.35Å; F70-E73 PolarHBondContact O-N 3.26Å; F70-I74 HydrophobicContact CD1-CD1 3.69Å; F70-I74 HydrophobicContact CE1-CD1 3.23Å; F70-I74 HydrophobicContact CE1-CG1 4.32Å; F70-I74 HydrophobicContact CE2-CD1 4.43Å; F70-I74 HydrophobicContact CG-CD1 4.46Å; F70-I74 HydrophobicContact CZ-CD1 3.66Å; F70-I74 HydrophobicContact CZ-CG1 4.49Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.17Å; F70-F125 HydrophobicContact CB-CZ 4.16Å; F70-F125 AromaticContact CD2-CE1 3.74Å; F70-F125 HydrophobicContact CD2-CE1 3.74Å; F70-F125 HydrophobicContact CD2-CE2 4.45Å; F70-F125 AromaticContact CD2-CZ 3.68Å; F70-F125 HydrophobicContact CD2-CZ 3.68Å; F70-F125 HydrophobicContact CE2-CE1 4.44Å; F70-F125 HydrophobicContact CG-CE1 4.48Å; F70-F125 HydrophobicContact CG-CZ 4.37Å; F70-V128 HydrophobicContact CE2-CG2 3.61Å; F70-V128 HydrophobicContact CZ-CG2 3.89Å
71	R	64.5	Low	63.9	Low	143 Å²	143	80 Å²	80	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.9	-74.8	174.8	-176.8	-73.2	1.3	112	E67 K68 E73 I74 I75	E67-R71 WeakPolarHBondContact O-CB 3.3Å; E67-R71 VanDerWaalsContact O-CG 3.25Å; E67-R71 WeakPolarHBondContact O-CG 3.48Å; E67-R71 PolarHBondContact O-N 3.42Å; E67-R71 IonicContact OE1-CZ 2.63Å; E67-R71 IonicContact OE1-NE 2.78Å; E67-R71 PolarHBondContact OE1-NE 2.87Å; E67-R71 IonicContact OE1-NH2 3.74Å; E67-R71 PolarHBondContact OE1-NH2 3.22Å; K68-R71 PolarHBondContact O-N 2.81Å; R71-E73 VanDerWaalsContact C-N 3.28Å; R71-E73 PolarHBondContact O-N 2.86Å; R71-I74 PolarHBondContact O-N 3.46Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.37Å; R71-I75 PolarHBondContact O-N 2.67Å
72	D	69.6	Low	65.7	Low	87 Å²	87	75.4 Å²	75.4	47%	0.465	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-39.5	179.6	-74.7	-19.6	0	0	0	111	K68 Q69 I75 R76	K68-D72 WeakPolarHBondContact O-CB 3.47Å; K68-D72 PolarHBondContact O-N 3.34Å; Q69-D72 PolarHBondContact O-N 2.91Å; D72-I75 PolarHBondContact O-N 2.77Å; D72-R76 PolarHBondContact O-N 2.85Å
73	E	69.4	Low	67.5	Low	9 Å²	9	69.4 Å²	69.4	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-72.8	-37.5	177.9	-177.7	57.9	-156.5	0	0	112.6	Q69 F70 R71 I75 R76 L77 F125	Q69-E73 WeakPolarHBondContact O-CB 3.3Å; Q69-E73 PolarHBondContact O-N 3.44Å; F70-E73 PolarHBondContact O-N 3.26Å; R71-E73 VanDerWaalsContact C-N 3.28Å; R71-E73 PolarHBondContact O-N 2.86Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 3.43Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 IonicContact OE1-CZ 3.81Å; E73-R76 VanDerWaalsContact OE1-CZ 3.24Å; E73-R76 IonicContact OE1-NE 2.66Å; E73-R76 PolarHBondContact OE1-NE 2.88Å; E73-R76 IonicContact OE1-NH2 2.85Å; E73-R76 PolarHBondContact OE1-NH2 3.37Å; E73-R76 WeakPolarHBondContact OE2-CD 3.41Å; E73-R76 IonicContact OE2-CZ 3.79Å; E73-R76 IonicContact OE2-NE 2.79Å; E73-R76 PolarHBondContact OE2-NE 3.44Å; E73-R76 IonicContact OE2-NH2 3.96Å; E73-L77 HydrophobicContact CG-CD1 4.33Å; E73-L77 WeakPolarHBondContact O-CB 3.26Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å; E73-F125 HydrophobicContact CB-CD1 3.99Å; E73-F125 HydrophobicContact CB-CE1 3.47Å; E73-F125 VanDerWaalsContact CB-CE1 3.47Å; E73-F125 HydrophobicContact CB-CZ 4.28Å; E73-F125 HydrophobicContact CG-CD1 3.25Å; E73-F125 HydrophobicContact CG-CE1 3.3Å; E73-F125 HydrophobicContact CG-CG 4.28Å; E73-F125 HydrophobicContact CG-CZ 4.32Å
74	I	68.7	Low	69.4	Low	51 Å²	51	67.7 Å²	67.7	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-45	168.9	-74.4	173.2	0	0	0	110.5	F70 R71 R76 L77 E78 V128	F70-I74 HydrophobicContact CD1-CD1 3.69Å; F70-I74 HydrophobicContact CE1-CD1 3.23Å; F70-I74 HydrophobicContact CE1-CG1 4.32Å; F70-I74 HydrophobicContact CE2-CD1 4.43Å; F70-I74 HydrophobicContact CG-CD1 4.46Å; F70-I74 HydrophobicContact CZ-CD1 3.66Å; F70-I74 HydrophobicContact CZ-CG1 4.49Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.17Å; R71-I74 PolarHBondContact O-N 3.46Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 2.88Å; I74-L77 PolarHBondContact O-N 3Å; I74-E78 HydrophobicContact CG2-CG 4.21Å; I74-E78 WeakPolarHBondContact O-CB 3.41Å; I74-E78 VanDerWaalsContact O-CG 3.29Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 3.45Å; I74-V128 HydrophobicContact CD1-CG1 4.31Å; I74-V128 HydrophobicContact CG1-CG1 3.64Å
75	I	70.4	Confident	70.9	Confident	79 Å²	79	61.5 Å²	61.5	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-41.4	178.1	-69.4	165.7	0	0	0	110.5	R71 D72 E73 E78 R79	R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.37Å; R71-I75 PolarHBondContact O-N 2.67Å; D72-I75 PolarHBondContact O-N 2.77Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 3.43Å; I75-E78 PolarHBondContact O-N 3.03Å; I75-R79 VanDerWaalsContact O-CG 3.31Å; I75-R79 WeakPolarHBondContact O-CG 3.44Å; I75-R79 PolarHBondContact O-N 3.47Å
76	R	79.5	Confident	72.3	Confident	22 Å²	22	57.3 Å²	57.3	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-48.8	175.3	-166.5	-168.7	73.2	75.2	12.2	111.2	D72 E73 I74 R79 L80 I114	D72-R76 PolarHBondContact O-N 2.85Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.27Å; E73-R76 IonicContact OE1-CZ 3.81Å; E73-R76 VanDerWaalsContact OE1-CZ 3.24Å; E73-R76 IonicContact OE1-NE 2.66Å; E73-R76 PolarHBondContact OE1-NE 2.88Å; E73-R76 IonicContact OE1-NH2 2.85Å; E73-R76 PolarHBondContact OE1-NH2 3.37Å; E73-R76 WeakPolarHBondContact OE2-CD 3.41Å; E73-R76 IonicContact OE2-CZ 3.79Å; E73-R76 IonicContact OE2-NE 2.79Å; E73-R76 PolarHBondContact OE2-NE 3.44Å; E73-R76 IonicContact OE2-NH2 3.96Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 2.88Å; R76-R79 PolarHBondContact O-N 3.39Å; R76-L80 PolarHBondContact O-N 3.49Å; R76-I114 HydrophobicContact CG-CB 4.19Å; R76-I114 HydrophobicContact CG-CG2 3.82Å; R76-I114 PolarHBondContact NH1-O 3.46Å
77	L	73.3	Confident	73.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-44.1	178.8	-70.6	169.2	0	0	0	112.1	E73 I74 R79 L80 Y81 V128 E129 V132	E73-L77 HydrophobicContact CG-CD1 4.33Å; E73-L77 WeakPolarHBondContact O-CB 3.26Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å; I74-L77 PolarHBondContact O-N 3Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.9Å; L77-L80 PolarHBondContact O-N 3.28Å; L77-Y81 HydrophobicContact CD2-CE2 4.18Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 PolarHBondContact O-N 2.99Å; L77-V128 HydrophobicContact CD1-CG1 3.93Å; L77-E129 HydrophobicContact CD1-CB 4.05Å; L77-E129 HydrophobicContact CD2-CB 3.95Å; L77-E129 HydrophobicContact CD2-CG 3.77Å; L77-V132 HydrophobicContact CB-CB 4.36Å; L77-V132 HydrophobicContact CB-CG1 4.13Å; L77-V132 HydrophobicContact CB-CG2 4.31Å
78	E	78.9	Confident	74.5	Confident	51 Å²	51	53.5 Å²	53.5	24%	0.238	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-38.2	176.7	-74.4	-77.7	178.3	0	0	111.7	I74 I75 G82 V132 K135 W136	I74-E78 HydrophobicContact CG2-CG 4.21Å; I74-E78 WeakPolarHBondContact O-CB 3.41Å; I74-E78 VanDerWaalsContact O-CG 3.29Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 3.45Å; I75-E78 PolarHBondContact O-N 3.03Å; E78-G82 WeakPolarHBondContact O-CA 3.47Å; E78-G82 PolarHBondContact O-N 2.87Å; E78-V132 HydrophobicContact CG-CG1 4.21Å; E78-K135 IonicContact OE1-NZ 3.03Å; E78-K135 PolarHBondContact OE1-NZ 3.43Å; E78-K135 IonicContact OE2-NZ 3.64Å; E78-K135 PolarHBondContact OE2-NZ 3.15Å; E78-W136 PolarHBondContact OE2-NE1 3.2Å
79	R	77.8	Confident	74.9	Confident	165 Å²	165	47.7 Å²	47.7	62%	0.623	22%	0.219	S	C	*	.	H	α-helix	trans	-66.3	-44	173.7	-72.9	173.3	-179.3	178.3	2.6	111.9	I75 R76 L77 A83	I75-R79 VanDerWaalsContact O-CG 3.31Å; I75-R79 WeakPolarHBondContact O-CG 3.44Å; I75-R79 PolarHBondContact O-N 3.47Å; R76-R79 PolarHBondContact O-N 3.39Å; L77-R79 VanDerWaalsContact C-N 3.29Å; L77-R79 PolarHBondContact O-N 2.9Å; R79-A83 WeakPolarHBondContact O-CB 3.34Å; R79-A83 PolarHBondContact O-N 3.03Å
80	L	82.6	Confident	75.2	Confident	17 Å²	17	46.7 Å²	46.7	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-55.3	179.4	176.1	59	0	0	0	112	R76 L77 A83 K84 Y108 A111	R76-L80 PolarHBondContact O-N 3.49Å; L77-L80 PolarHBondContact O-N 3.28Å; L80-A83 PolarHBondContact O-N 2.99Å; L80-K84 PolarHBondContact O-N 3.32Å; L80-Y108 HydrophobicContact CD1-CD2 4.03Å; L80-Y108 HydrophobicContact CD1-CE2 3.56Å; L80-Y108 HydrophobicContact CG-CE2 4.44Å; L80-A111 HydrophobicContact CD1-CB 4.15Å
81	Y	80.4	Confident	76	Confident	23 Å²	23	49.6 Å²	49.6	9%	0.09	23%	0.226	C	C	.	.	H	α-helix	trans	-75	-27.6	-177.1	-75.7	-80.6	0	0	0	112.8	L77 K84 W85 E129 V132 E133	L77-Y81 HydrophobicContact CD2-CE2 4.18Å; L77-Y81 WeakPolarHBondContact O-CD2 3.48Å; L77-Y81 PolarHBondContact O-N 2.99Å; Y81-K84 HydrophobicContact CD1-CD 4.17Å; Y81-K84 HydrophobicContact CE1-CD 4.4Å; Y81-K84 PolarHBondContact O-N 2.81Å; Y81-W85 WeakPolarHBondContact O-CB 3.33Å; Y81-W85 PolarHBondContact O-N 2.89Å; Y81-E129 HydrophobicContact CE2-CG 3.92Å; Y81-E129 WeakPolarHBondContact OH-CG 3.47Å; Y81-V132 HydrophobicContact CD2-CG1 3.96Å; Y81-V132 HydrophobicContact CG-CG1 4.35Å; Y81-E133 HydrophobicContact CD1-CB 3.84Å; Y81-E133 HydrophobicContact CD1-CG 3.93Å; Y81-E133 HydrophobicContact CE1-CB 3.36Å; Y81-E133 VanDerWaalsContact CE1-CD 3.42Å; Y81-E133 HydrophobicContact CE1-CG 3.37Å; Y81-E133 HydrophobicContact CE2-CB 4.24Å; Y81-E133 HydrophobicContact CG-CB 4.43Å; Y81-E133 PolarHBondContact OH-OE2 3.41Å
82	G	75.1	Confident	76.6	Confident	9 Å²	9	46.3 Å²	46.3	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-45.5	166.6	0	0	0	0	0	112	E78 K84 W85 I86	E78-G82 WeakPolarHBondContact O-CA 3.47Å; E78-G82 PolarHBondContact O-N 2.87Å; G82-K84 PolarHBondContact O-N 3.31Å; G82-W85 PolarHBondContact O-N 3.38Å; G82-I86 WeakPolarHBondContact O-CG1 3.49Å; G82-I86 PolarHBondContact O-N 3.03Å; G82-I86 VanDerWaalsContact O-N 3.15Å
83	A	76.3	Confident	76.6	Confident	15 Å²	15	44.9 Å²	44.9	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-39.8	176.2	0	0	0	0	0	112.3	R79 L80 I86 L87 Y108 A111	R79-A83 WeakPolarHBondContact O-CB 3.34Å; R79-A83 PolarHBondContact O-N 3.03Å; L80-A83 PolarHBondContact O-N 2.99Å; A83-I86 PolarHBondContact O-N 2.97Å; A83-L87 PolarHBondContact O-N 3.24Å; A83-L87 VanDerWaalsContact O-N 3.13Å; A83-Y108 HydrophobicContact CB-CD2 4.26Å; A83-A111 HydrophobicContact CB-CB 4.37Å
84	K	83.1	Confident	76.6	Confident	52 Å²	52	46 Å²	46	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-48.2	173.7	-170.1	179	173.1	-175.7	0	111.6	L80 Y81 G82 I86 L87 D88 Y108 E133	L80-K84 PolarHBondContact O-N 3.32Å; Y81-K84 HydrophobicContact CD1-CD 4.17Å; Y81-K84 HydrophobicContact CE1-CD 4.4Å; Y81-K84 PolarHBondContact O-N 2.81Å; G82-K84 PolarHBondContact O-N 3.31Å; K84-I86 PolarHBondContact O-N 3.39Å; K84-L87 WeakPolarHBondContact O-CB 3.25Å; K84-L87 PolarHBondContact O-N 3.23Å; K84-D88 PolarHBondContact O-N 3.46Å; K84-Y108 HydrophobicContact CB-CD2 3.78Å; K84-Y108 HydrophobicContact CB-CE2 3.56Å; K84-Y108 HydrophobicContact CD-CE2 4.33Å; K84-Y108 HydrophobicContact CG-CD2 4.48Å; K84-Y108 HydrophobicContact CG-CE2 3.98Å; K84-E133 IonicContact NZ-OE1 2.98Å; K84-E133 PolarHBondContact NZ-OE1 3.44Å
85	W	78.8	Confident	76.3	Confident	45 Å²	45	47.2 Å²	47.2	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-48.6	177.8	156.7	67.7	0	0	0	112.1	Y81 G82 L87 D88 L89 W136 R139 D143	Y81-W85 WeakPolarHBondContact O-CB 3.33Å; Y81-W85 PolarHBondContact O-N 2.89Å; G82-W85 PolarHBondContact O-N 3.38Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 2.98Å; W85-D88 PolarHBondContact O-N 2.91Å; W85-L89 HydrophobicContact CZ2-CD2 4.16Å; W85-L89 VanDerWaalsContact O-CB 3.25Å; W85-L89 WeakPolarHBondContact O-CB 3.39Å; W85-L89 PolarHBondContact O-N 2.87Å; W85-W136 HydrophobicContact CB-CB 4.47Å; W85-W136 HydrophobicContact CB-CD2 4.38Å; W85-W136 HydrophobicContact CB-CE3 3.68Å; W85-W136 HydrophobicContact CB-CZ3 4.34Å; W85-W136 AromaticContact CD2-CE3 3.72Å; W85-W136 HydrophobicContact CD2-CE3 3.72Å; W85-W136 AromaticContact CD2-CZ3 3.53Å; W85-W136 HydrophobicContact CD2-CZ3 3.53Å; W85-W136 AromaticContact CE3-CE3 3.75Å; W85-W136 HydrophobicContact CE3-CE3 3.75Å; W85-W136 AromaticContact CE3-CH2 3.96Å; W85-W136 HydrophobicContact CE3-CH2 3.96Å; W85-W136 AromaticContact CE3-CZ3 3.15Å; W85-W136 HydrophobicContact CE3-CZ3 3.15Å; W85-W136 AromaticContact CG-CE3 3.69Å; W85-W136 HydrophobicContact CG-CE3 3.69Å; W85-W136 HydrophobicContact CG-CZ3 4.04Å; W85-W136 HydrophobicContact CH2-CZ3 4.45Å; W85-W136 HydrophobicContact CZ3-CH2 4.22Å; W85-W136 AromaticContact CZ3-CZ3 3.68Å; W85-W136 HydrophobicContact CZ3-CZ3 3.68Å; W85-R139 HydrophobicContact CZ2-CG 4.4Å; W85-D143 VanDerWaalsContact CZ2-OD2 3.25Å; W85-D143 WeakPolarHBondContact CZ2-OD2 3.45Å; W85-D143 PolarHBondContact NE1-OD2 3.41Å
86	I	76.7	Confident	76.2	Confident	48 Å²	48	50.5 Å²	50.5	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-45.6	179.6	-61	170.7	0	0	0	110.4	G82 A83 K84 D88 L89 F90 Y104	G82-I86 WeakPolarHBondContact O-CG1 3.49Å; G82-I86 PolarHBondContact O-N 3.03Å; G82-I86 VanDerWaalsContact O-N 3.15Å; A83-I86 PolarHBondContact O-N 2.97Å; K84-I86 PolarHBondContact O-N 3.39Å; I86-D88 PolarHBondContact O-N 2.84Å; I86-L89 PolarHBondContact O-N 2.95Å; I86-F90 HydrophobicContact CG2-CD2 3.78Å; I86-F90 HydrophobicContact CG2-CE2 3.99Å; I86-F90 WeakPolarHBondContact O-CD2 3.42Å; I86-F90 PolarHBondContact O-N 2.97Å; I86-Y104 HydrophobicContact CB-CD1 4.35Å; I86-Y104 HydrophobicContact CG2-CD1 3.35Å; I86-Y104 HydrophobicContact CG2-CD2 3.93Å; I86-Y104 HydrophobicContact CG2-CE1 3.34Å; I86-Y104 HydrophobicContact CG2-CE2 3.91Å; I86-Y104 HydrophobicContact CG2-CG 3.67Å
87	L	78.3	Confident	75.5	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-48.8	178.8	178.6	61.6	0	0	0	111.8	A83 K84 W85 F90 K91 Y108	A83-L87 PolarHBondContact O-N 3.24Å; A83-L87 VanDerWaalsContact O-N 3.13Å; K84-L87 WeakPolarHBondContact O-CB 3.25Å; K84-L87 PolarHBondContact O-N 3.23Å; W85-L87 VanDerWaalsContact C-N 3.33Å; W85-L87 PolarHBondContact O-N 2.98Å; L87-F90 PolarHBondContact O-N 2.93Å; L87-K91 HydrophobicContact CG-CD 4.37Å; L87-K91 VanDerWaalsContact O-CG 3.31Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.2Å; L87-Y108 HydrophobicContact CD2-CD1 4.18Å; L87-Y108 HydrophobicContact CD2-CG 4.32Å
88	D	83.4	Confident	75	Confident	41 Å²	41	62 Å²	62	22%	0.219	30%	0.303	C	S	.	.	H	α-helix	trans	-71.2	-33.8	-177.5	-69.5	-19.4	0	0	0	112.4	K84 W85 I86 K91 S92 L140	K84-D88 PolarHBondContact O-N 3.46Å; W85-D88 PolarHBondContact O-N 2.91Å; I86-D88 PolarHBondContact O-N 2.84Å; D88-K91 IonicContact OD1-NZ 2.67Å; D88-S92 PolarHBondContact O-N 2.94Å; D88-S92 PolarHBondContact O-OG 3.22Å; D88-L140 HydrophobicContact CB-CD1 4.24Å; D88-L140 HydrophobicContact CB-CD2 3.85Å
89	L	75.8	Confident	74.6	Confident	23 Å²	23	65.4 Å²	65.4	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-53.5	172.7	179.7	63	0	0	0	110.3	W85 I86 K91 S92 I93 L140 D143 L144	W85-L89 HydrophobicContact CZ2-CD2 4.16Å; W85-L89 VanDerWaalsContact O-CB 3.25Å; W85-L89 WeakPolarHBondContact O-CB 3.39Å; W85-L89 PolarHBondContact O-N 2.87Å; I86-L89 PolarHBondContact O-N 2.95Å; L89-K91 PolarHBondContact O-N 3.35Å; L89-S92 WeakPolarHBondContact O-CB 3.37Å; L89-S92 PolarHBondContact O-N 3.23Å; L89-S92 VanDerWaalsContact O-N 3.08Å; L89-I93 HydrophobicContact CD1-CD1 4.23Å; L89-I93 HydrophobicContact CD1-CG2 4.13Å; L89-I93 HydrophobicContact CG-CD1 4.03Å; L89-I93 WeakPolarHBondContact O-CG1 3.35Å; L89-I93 PolarHBondContact O-N 2.98Å; L89-L140 HydrophobicContact CB-CD1 3.91Å; L89-L140 HydrophobicContact CD1-CD1 4.42Å; L89-D143 HydrophobicContact CD1-CB 3.88Å; L89-D143 HydrophobicContact CD2-CB 4.39Å; L89-L144 HydrophobicContact CD1-CD2 3.85Å; L89-L144 HydrophobicContact CD1-CG 4.34Å
90	F	72.6	Confident	74.3	Confident	41 Å²	41	60 Å²	60	18%	0.18	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-37.3	-178.6	-91	-92.4	0	0	0	113.1	I86 L87 S92 I93 S94 L100 L101 Y104	I86-F90 HydrophobicContact CG2-CD2 3.78Å; I86-F90 HydrophobicContact CG2-CE2 3.99Å; I86-F90 WeakPolarHBondContact O-CD2 3.42Å; I86-F90 PolarHBondContact O-N 2.97Å; L87-F90 PolarHBondContact O-N 2.93Å; F90-S92 PolarHBondContact O-N 2.63Å; F90-I93 PolarHBondContact O-N 3.3Å; F90-S94 CarbonylContact O-C 3.6Å; F90-S94 PolarHBondContact O-N 3.16Å; F90-L100 HydrophobicContact CD1-CB 4.5Å; F90-L100 HydrophobicContact CD1-CD1 4.41Å; F90-L100 HydrophobicContact CE1-CD1 3.75Å; F90-L100 HydrophobicContact CZ-CD1 4.5Å; F90-L101 HydrophobicContact CB-CD2 3.66Å; F90-Y104 HydrophobicContact CB-CD2 4.15Å; F90-Y104 HydrophobicContact CB-CE2 4.33Å; F90-Y104 HydrophobicContact CD1-CD2 4.36Å; F90-Y104 AromaticContact CD1-CE2 3.78Å; F90-Y104 HydrophobicContact CD1-CE2 3.78Å; F90-Y104 AromaticContact CD2-CD2 3.79Å; F90-Y104 HydrophobicContact CD2-CD2 3.79Å; F90-Y104 AromaticContact CD2-CE2 3.29Å; F90-Y104 HydrophobicContact CD2-CE2 3.29Å; F90-Y104 AromaticContact CD2-CZ 3.95Å; F90-Y104 AromaticContact CE1-CE2 3.82Å; F90-Y104 HydrophobicContact CE1-CE2 3.82Å; F90-Y104 HydrophobicContact CE2-CD2 4.27Å; F90-Y104 AromaticContact CE2-CE2 3.33Å; F90-Y104 HydrophobicContact CE2-CE2 3.33Å; F90-Y104 AromaticContact CE2-CZ 3.58Å; F90-Y104 WeakPolarHBondContact CE2-OH 3.41Å; F90-Y104 AromaticContact CG-CD2 3.83Å; F90-Y104 HydrophobicContact CG-CD2 3.83Å; F90-Y104 AromaticContact CG-CE2 3.52Å; F90-Y104 HydrophobicContact CG-CE2 3.52Å; F90-Y104 AromaticContact CZ-CE2 3.6Å; F90-Y104 HydrophobicContact CZ-CE2 3.6Å; F90-Y104 AromaticContact CZ-CZ 3.9Å; F90-Y104 WeakPolarHBondContact CZ-OH 3.41Å
91	K	81.1	Confident	73.7	Confident	110 Å²	110	60.6 Å²	60.6	48%	0.478	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-34.3	174.3	-79.1	174.3	-176.9	165.9	0	112	L87 D88 L89 L101	L87-K91 HydrophobicContact CG-CD 4.37Å; L87-K91 VanDerWaalsContact O-CG 3.31Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.2Å; D88-K91 IonicContact OD1-NZ 2.67Å; L89-K91 PolarHBondContact O-N 3.35Å; K91-L101 HydrophobicContact CB-CD2 4.4Å; K91-L101 HydrophobicContact CG-CD2 3.77Å
92	S	76.1	Confident	73.5	Confident	74 Å²	74	65.2 Å²	65.2	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-85.4	-37.9	-174.7	-55.8	0	0	0	0	112.9	D88 L89 F90 L144	D88-S92 PolarHBondContact O-N 2.94Å; D88-S92 PolarHBondContact O-OG 3.22Å; L89-S92 WeakPolarHBondContact O-CB 3.37Å; L89-S92 PolarHBondContact O-N 3.23Å; L89-S92 VanDerWaalsContact O-N 3.08Å; F90-S92 PolarHBondContact O-N 2.63Å; S92-L144 VanDerWaalsContact CB-CD2 3.45Å
93	I	70.8	Confident	73.5	Confident	57 Å²	57	67.9 Å²	67.9	29%	0.292	34%	0.342	S	S	.	.	H	α-helix	trans	-97.8	-30.8	-173.9	71	-179.2	0	0	0	113.8	L89 F90 L144 D147	L89-I93 HydrophobicContact CD1-CD1 4.23Å; L89-I93 HydrophobicContact CD1-CG2 4.13Å; L89-I93 HydrophobicContact CG-CD1 4.03Å; L89-I93 WeakPolarHBondContact O-CG1 3.35Å; L89-I93 PolarHBondContact O-N 2.98Å; F90-I93 PolarHBondContact O-N 3.3Å; I93-L144 HydrophobicContact CG2-CD2 4Å; I93-D147 HydrophobicContact CG2-CB 4.02Å; I93-D147 WeakPolarHBondContact CG2-OD2 3.43Å
94	S	70	Confident	73.4	Confident	34 Å²	34	69.6 Å²	69.6	24%	0.238	35%	0.346	C	S	.	.			trans	-137.4	62.1	-170.2	-72.4	0	0	0	0	112.9	F90 N96 D97	F90-S94 CarbonylContact O-C 3.6Å; F90-S94 PolarHBondContact O-N 3.16Å; S94-N96 PolarHBondContact O-N 3.41Å; S94-D97 WeakPolarHBondContact CB-OD2 3.25Å; S94-D97 PolarHBondContact O-N 3.06Å; S94-D97 VanDerWaalsContact O-N 3.14Å; S94-D97 PolarHBondContact OG-OD2 3.42Å
95	P	62.4	Low	73.2	Confident	75 Å²	75	70 Å²	70	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.6	179	25	-33.5	0	0	0	113.6
96	N	66.5	Low	73.1	Confident	149 Å²	149	72.2 Å²	72.2	80%	0.797	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.4	-179.9	-65.9	-23.6	0	0	0	113.3	S94 R98	S94-N96 PolarHBondContact O-N 3.41Å; N96-R98 PolarHBondContact O-N 3.08Å
97	D	65.2	Low	73.1	Confident	61 Å²	61	72.6 Å²	72.6	33%	0.326	37%	0.37	S	S	.	.			trans	-85.7	54.5	179.5	-64.7	-38.4	0	0	0	111.1	S94 H99 L100 L101	S94-D97 WeakPolarHBondContact CB-OD2 3.25Å; S94-D97 PolarHBondContact O-N 3.06Å; S94-D97 VanDerWaalsContact O-N 3.14Å; S94-D97 PolarHBondContact OG-OD2 3.42Å; D97-H99 PolarHBondContact O-N 2.93Å; D97-H99 VanDerWaalsContact O-N 3.09Å; D97-L100 HydrophobicContact CB-CB 4.24Å; D97-L100 HydrophobicContact CB-CD1 3.97Å; D97-L100 HydrophobicContact CB-CG 4.25Å; D97-L100 WeakPolarHBondContact O-CB 3.5Å; D97-L100 PolarHBondContact O-N 3.04Å; D97-L101 PolarHBondContact O-N 3.5Å; D97-L101 VanDerWaalsContact O-N 3.09Å
98	R	62.9	Low	73.1	Confident	202 Å²	202	75.6 Å²	75.6	76%	0.762	38%	0.381	S	S	*	.	H	α-helix	trans	-53.7	-35.2	-173.7	-67.9	-170.5	-163	-178.2	5.9	113.7	N96 L101 Q102	N96-R98 PolarHBondContact O-N 3.08Å; R98-L101 WeakPolarHBondContact O-CB 3.38Å; R98-L101 PolarHBondContact O-N 3.37Å; R98-Q102 PolarHBondContact O-N 3.46Å
99	H	71.6	Confident	73	Confident	123 Å²	123	79.5 Å²	79.5	57%	0.569	40%	0.396	S	S	*	.	H	α-helix	trans	-64.7	-42	178	69.9	-79.2	0	0	0	111.8	D97 Q102 T103	D97-H99 PolarHBondContact O-N 2.93Å; D97-H99 VanDerWaalsContact O-N 3.09Å; H99-Q102 PolarHBondContact O-N 3.43Å; H99-T103 PolarHBondContact O-N 2.81Å; H99-T103 VanDerWaalsContact O-N 3.1Å; H99-T103 PolarHBondContact O-OG1 3.29Å
100	L	70.7	Confident	73.1	Confident	52 Å²	52	86 Å²	86	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.1	-64.8	-179.2	0	0	0	111	F90 D97 Q102 T103 Y104	F90-L100 HydrophobicContact CD1-CB 4.5Å; F90-L100 HydrophobicContact CD1-CD1 4.41Å; F90-L100 HydrophobicContact CE1-CD1 3.75Å; F90-L100 HydrophobicContact CZ-CD1 4.5Å; D97-L100 HydrophobicContact CB-CB 4.24Å; D97-L100 HydrophobicContact CB-CD1 3.97Å; D97-L100 HydrophobicContact CB-CG 4.25Å; D97-L100 WeakPolarHBondContact O-CB 3.5Å; D97-L100 PolarHBondContact O-N 3.04Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 3.49Å; L100-T103 PolarHBondContact O-N 3.36Å; L100-Y104 HydrophobicContact CB-CD2 4.27Å; L100-Y104 HydrophobicContact CB-CE2 3.89Å; L100-Y104 WeakPolarHBondContact O-CD2 3.31Å; L100-Y104 PolarHBondContact O-N 3.28Å
101	L	70.7	Confident	73.4	Confident	30 Å²	30	84.5 Å²	84.5	16%	0.157	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-40.6	175.8	-72.3	174.6	0	0	0	112.2	F90 K91 D97 R98 Y104 S105	F90-L101 HydrophobicContact CB-CD2 3.66Å; K91-L101 HydrophobicContact CB-CD2 4.4Å; K91-L101 HydrophobicContact CG-CD2 3.77Å; D97-L101 PolarHBondContact O-N 3.5Å; D97-L101 VanDerWaalsContact O-N 3.09Å; R98-L101 WeakPolarHBondContact O-CB 3.38Å; R98-L101 PolarHBondContact O-N 3.37Å; L101-Y104 PolarHBondContact O-N 3.43Å; L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.46Å
102	Q	76	Confident	73.4	Confident	119 Å²	119	82 Å²	82	56%	0.556	41%	0.411	S	S	*	.	H	α-helix	trans	-61.8	-49.9	174.1	-177.2	177.1	-11.1	0	0	110.9	R98 H99 L100 Y104 S105 E106	R98-Q102 PolarHBondContact O-N 3.46Å; H99-Q102 PolarHBondContact O-N 3.43Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 3.49Å; Q102-Y104 VanDerWaalsContact C-N 3.33Å; Q102-Y104 PolarHBondContact O-N 2.85Å; Q102-S105 WeakPolarHBondContact O-CB 3.36Å; Q102-S105 PolarHBondContact O-N 3.38Å; Q102-S105 VanDerWaalsContact O-N 3.14Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.31Å; Q102-E106 PolarHBondContact NE2-OE1 3.47Å; Q102-E106 WeakPolarHBondContact O-CG 3.37Å; Q102-E106 PolarHBondContact O-N 3.46Å
103	T	75.5	Confident	73.7	Confident	66 Å²	66	83.9 Å²	83.9	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-56.8	-44.6	177.2	-57.3	0	0	0	0	112.2	H99 L100 E106 N107	H99-T103 PolarHBondContact O-N 2.81Å; H99-T103 VanDerWaalsContact O-N 3.1Å; H99-T103 PolarHBondContact O-OG1 3.29Å; L100-T103 PolarHBondContact O-N 3.36Å; T103-E106 PolarHBondContact O-N 2.87Å; T103-N107 WeakPolarHBondContact O-CB 3.42Å; T103-N107 PolarHBondContact O-N 2.98Å; T103-N107 PolarHBondContact O-ND2 2.93Å; T103-N107 PolarHBondContact O-OD1 3.04Å
104	Y	74.4	Confident	74	Confident	51 Å²	51	84.9 Å²	84.9	20%	0.2	42%	0.416	C	S	.	.	H	α-helix	trans	-69.3	-34.8	177.9	-64.2	-49.3	0	0	0	112.8	I86 F90 L100 L101 Q102 N107 Y108	I86-Y104 HydrophobicContact CB-CD1 4.35Å; I86-Y104 HydrophobicContact CG2-CD1 3.35Å; I86-Y104 HydrophobicContact CG2-CD2 3.93Å; I86-Y104 HydrophobicContact CG2-CE1 3.34Å; I86-Y104 HydrophobicContact CG2-CE2 3.91Å; I86-Y104 HydrophobicContact CG2-CG 3.67Å; F90-Y104 HydrophobicContact CB-CD2 4.15Å; F90-Y104 HydrophobicContact CB-CE2 4.33Å; F90-Y104 HydrophobicContact CD1-CD2 4.36Å; F90-Y104 AromaticContact CD1-CE2 3.78Å; F90-Y104 HydrophobicContact CD1-CE2 3.78Å; F90-Y104 AromaticContact CD2-CD2 3.79Å; F90-Y104 HydrophobicContact CD2-CD2 3.79Å; F90-Y104 AromaticContact CD2-CE2 3.29Å; F90-Y104 HydrophobicContact CD2-CE2 3.29Å; F90-Y104 AromaticContact CD2-CZ 3.95Å; F90-Y104 AromaticContact CE1-CE2 3.82Å; F90-Y104 HydrophobicContact CE1-CE2 3.82Å; F90-Y104 HydrophobicContact CE2-CD2 4.27Å; F90-Y104 AromaticContact CE2-CE2 3.33Å; F90-Y104 HydrophobicContact CE2-CE2 3.33Å; F90-Y104 AromaticContact CE2-CZ 3.58Å; F90-Y104 WeakPolarHBondContact CE2-OH 3.41Å; F90-Y104 AromaticContact CG-CD2 3.83Å; F90-Y104 HydrophobicContact CG-CD2 3.83Å; F90-Y104 AromaticContact CG-CE2 3.52Å; F90-Y104 HydrophobicContact CG-CE2 3.52Å; F90-Y104 AromaticContact CZ-CE2 3.6Å; F90-Y104 HydrophobicContact CZ-CE2 3.6Å; F90-Y104 AromaticContact CZ-CZ 3.9Å; F90-Y104 WeakPolarHBondContact CZ-OH 3.41Å; L100-Y104 HydrophobicContact CB-CD2 4.27Å; L100-Y104 HydrophobicContact CB-CE2 3.89Å; L100-Y104 WeakPolarHBondContact O-CD2 3.31Å; L100-Y104 PolarHBondContact O-N 3.28Å; L101-Y104 PolarHBondContact O-N 3.43Å; Q102-Y104 VanDerWaalsContact C-N 3.33Å; Q102-Y104 PolarHBondContact O-N 2.85Å; Y104-N107 PolarHBondContact O-N 3.49Å; Y104-Y108 WeakPolarHBondContact O-CB 3.47Å; Y104-Y108 PolarHBondContact O-N 3.43Å
105	S	77.7	Confident	74	Confident	59 Å²	59	92.2 Å²	92.2	41%	0.413	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-43.1	174.3	-172.4	0	0	0	0	111.5	L101 Q102 Y108 K109	L101-S105 VanDerWaalsContact O-CB 3.27Å; L101-S105 WeakPolarHBondContact O-CB 3.48Å; L101-S105 PolarHBondContact O-N 3.46Å; Q102-S105 WeakPolarHBondContact O-CB 3.36Å; Q102-S105 PolarHBondContact O-N 3.38Å; Q102-S105 VanDerWaalsContact O-N 3.14Å; S105-Y108 PolarHBondContact O-N 3.22Å; S105-K109 WeakPolarHBondContact O-CB 3.47Å; S105-K109 PolarHBondContact O-N 2.97Å
106	E	77.7	Confident	74.2	Confident	93 Å²	93	93.6 Å²	93.6	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-66.2	-39	175.9	-71.5	171	-170	0	0	111.8	Q102 T103 K109 R110	Q102-E106 WeakPolarHBondContact CG-OE1 3.31Å; Q102-E106 PolarHBondContact NE2-OE1 3.47Å; Q102-E106 WeakPolarHBondContact O-CG 3.37Å; Q102-E106 PolarHBondContact O-N 3.46Å; T103-E106 PolarHBondContact O-N 2.87Å; E106-K109 PolarHBondContact O-N 3.17Å; E106-R110 WeakPolarHBondContact O-CB 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.05Å
107	N	74.9	Confident	74	Confident	55 Å²	55	88.9 Å²	88.9	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-62.5	-45.3	174.3	-71.3	-14.9	0	0	0	112	T103 Y104 R110 A111	T103-N107 WeakPolarHBondContact O-CB 3.42Å; T103-N107 PolarHBondContact O-N 2.98Å; T103-N107 PolarHBondContact O-ND2 2.93Å; T103-N107 PolarHBondContact O-OD1 3.04Å; Y104-N107 PolarHBondContact O-N 3.49Å; N107-R110 PolarHBondContact OD1-NH2 2.88Å; N107-A111 PolarHBondContact O-N 3.33Å
108	Y	79.4	Confident	73.7	Confident	72 Å²	72	91.3 Å²	91.3	28%	0.282	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-46.3	176.2	174.7	-109.3	0	0	0	111.6	L80 A83 K84 L87 Y104 S105 R110 A111 S112	L80-Y108 HydrophobicContact CD1-CD2 4.03Å; L80-Y108 HydrophobicContact CD1-CE2 3.56Å; L80-Y108 HydrophobicContact CG-CE2 4.44Å; A83-Y108 HydrophobicContact CB-CD2 4.26Å; K84-Y108 HydrophobicContact CB-CD2 3.78Å; K84-Y108 HydrophobicContact CB-CE2 3.56Å; K84-Y108 HydrophobicContact CD-CE2 4.33Å; K84-Y108 HydrophobicContact CG-CD2 4.48Å; K84-Y108 HydrophobicContact CG-CE2 3.98Å; L87-Y108 HydrophobicContact CD2-CD1 4.18Å; L87-Y108 HydrophobicContact CD2-CG 4.32Å; Y104-Y108 WeakPolarHBondContact O-CB 3.47Å; Y104-Y108 PolarHBondContact O-N 3.43Å; S105-Y108 PolarHBondContact O-N 3.22Å; Y108-R110 PolarHBondContact O-N 3.37Å; Y108-A111 PolarHBondContact O-N 3.42Å; Y108-A111 VanDerWaalsContact O-N 3.16Å; Y108-S112 PolarHBondContact O-N 3Å
109	K	81	Confident	73.5	Confident	123 Å²	123	87.2 Å²	87.2	54%	0.535	43%	0.433	S	S	.	.	H	α-helix	trans	-55.8	-50.7	176.7	-177.4	177.2	173.6	-179.4	0	111.2	S105 E106 A111 S112 E113	S105-K109 WeakPolarHBondContact O-CB 3.47Å; S105-K109 PolarHBondContact O-N 2.97Å; E106-K109 PolarHBondContact O-N 3.17Å; K109-A111 VanDerWaalsContact C-N 3.3Å; K109-A111 PolarHBondContact O-N 2.88Å; K109-S112 WeakPolarHBondContact CA-OG 3.4Å; K109-S112 PolarHBondContact O-N 3.44Å; K109-S112 PolarHBondContact O-OG 3.36Å; K109-E113 WeakPolarHBondContact CE-OE1 3.41Å; K109-E113 WeakPolarHBondContact CG-OE1 3.45Å; K109-E113 IonicContact NZ-OE1 3.69Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.24Å
110	R	79	Confident	72.8	Confident	159 Å²	159	82.2 Å²	82.2	60%	0.6	41%	0.411	S	S	*	.	H	α-helix	trans	-57.1	-42.6	176.9	-75.8	-171.5	-70.6	173.3	-6.6	112.4	E106 N107 Y108 S112 E113 I114	E106-R110 WeakPolarHBondContact O-CB 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.38Å; E106-R110 PolarHBondContact O-N 3.05Å; N107-R110 PolarHBondContact OD1-NH2 2.88Å; Y108-R110 PolarHBondContact O-N 3.37Å; R110-S112 VanDerWaalsContact C-N 3.34Å; R110-E113 PolarHBondContact O-N 2.98Å; R110-I114 WeakPolarHBondContact O-CG1 3.35Å
111	A	77.4	Confident	72.2	Confident	11 Å²	11	83.6 Å²	83.6	9%	0.091	42%	0.419	C	S	.	.	H	α-helix	trans	-66.3	-36.3	177.3	0	0	0	0	0	112.4	L80 A83 N107 Y108 K109 E113 I114	L80-A111 HydrophobicContact CD1-CB 4.15Å; A83-A111 HydrophobicContact CB-CB 4.37Å; N107-A111 PolarHBondContact O-N 3.33Å; Y108-A111 PolarHBondContact O-N 3.42Å; Y108-A111 VanDerWaalsContact O-N 3.16Å; K109-A111 VanDerWaalsContact C-N 3.3Å; K109-A111 PolarHBondContact O-N 2.88Å; A111-E113 VanDerWaalsContact C-N 3.33Å; A111-I114 PolarHBondContact O-N 3.48Å
112	S	81.3	Confident	71.7	Confident	56 Å²	56	87.6 Å²	87.6	39%	0.392	44%	0.44	S	S	.	.	H	α-helix	trans	-71.5	-27.3	179.3	72.7	0	0	0	0	113.5	Y108 K109 R110 I114	Y108-S112 PolarHBondContact O-N 3Å; K109-S112 WeakPolarHBondContact CA-OG 3.4Å; K109-S112 PolarHBondContact O-N 3.44Å; K109-S112 PolarHBondContact O-OG 3.36Å; R110-S112 VanDerWaalsContact C-N 3.34Å; S112-I114 VanDerWaalsContact C-N 3.33Å
113	E	82.8	Confident	70.6	Confident	115 Å²	115	90.2 Å²	90.2	54%	0.537	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.4	178.2	-70.8	171.4	170.9	0	0	112.9	K109 R110 A111 K115	K109-E113 WeakPolarHBondContact CE-OE1 3.41Å; K109-E113 WeakPolarHBondContact CG-OE1 3.45Å; K109-E113 IonicContact NZ-OE1 3.69Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.24Å; R110-E113 PolarHBondContact O-N 2.98Å; A111-E113 VanDerWaalsContact C-N 3.33Å; E113-K115 PolarHBondContact O-N 3.47Å
114	I	77.2	Confident	69.7	Low	77 Å²	77	91.7 Å²	91.7	40%	0.395	45%	0.445	S	S	.	.	S	Bend	trans	-65.7	107.4	172.6	-56.9	175.6	0	0	0	107.9	R76 R110 A111 S112	R76-I114 HydrophobicContact CG-CB 4.19Å; R76-I114 HydrophobicContact CG-CG2 3.82Å; R76-I114 PolarHBondContact NH1-O 3.46Å; R110-I114 WeakPolarHBondContact O-CG1 3.35Å; A111-I114 PolarHBondContact O-N 3.48Å; S112-I114 VanDerWaalsContact C-N 3.33Å
115	K	69.9	Low	69.2	Low	189 Å²	189	90.1 Å²	90.1	82%	0.822	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-56.7	139.9	179.1	-66.7	-172.7	177.5	-176.1	0	110.6	E113	E113-K115 PolarHBondContact O-N 3.47Å
116	R	67.4	Low	68.7	Low	103 Å²	103	90 Å²	90	39%	0.389	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.7	162.5	-67.1	-178.7	-175.9	178.9	-0.6	108.4	E129	R116-E129 IonicContact CZ-OE2 3.93Å; R116-E129 IonicContact NH2-OE1 3.73Å; R116-E129 PolarHBondContact NH2-OE1 3.26Å; R116-E129 IonicContact NH2-OE2 2.8Å; R116-E129 PolarHBondContact NH2-OE2 2.82Å
117	S	62.2	Low	68	Low	51 Å²	51	90.6 Å²	90.6	36%	0.357	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-58.8	138.6	164.5	172.6	0	0	0	0	108.4	D119 V120	S117-D119 PolarHBondContact O-N 3.09Å; S117-V120 WeakPolarHBondContact O-CB 3.45Å; S117-V120 WeakPolarHBondContact O-CG2 3.02Å
118	S	58.6	Low	67.5	Low	111 Å²	111	88.8 Å²	88.8	78%	0.776	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.7	-177.3	48.5	0	0	0	0	113.4	V120	S118-V120 VanDerWaalsContact C-N 3.32Å; S118-V120 PolarHBondContact O-N 2.98Å
119	D	58.8	Low	67.2	Low	116 Å²	116	87.1 Å²	87.1	62%	0.62	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	22	-167.6	-55.2	-14	0	0	0	112.3	S117	S117-D119 PolarHBondContact O-N 3.09Å
120	V	55.9	Low	66.8	Low	18 Å²	18	88 Å²	88	11%	0.109	43%	0.43	C	S	.	.			trans	-103.2	119.3	-165.6	171.9	0	0	0	0	109.1	S117 S118 D122 F125	S117-V120 WeakPolarHBondContact O-CB 3.45Å; S117-V120 WeakPolarHBondContact O-CG2 3.02Å; S118-V120 VanDerWaalsContact C-N 3.32Å; S118-V120 PolarHBondContact O-N 2.98Å; V120-D122 PolarHBondContact O-N 3.14Å; V120-F125 HydrophobicContact CB-CD2 4.22Å; V120-F125 HydrophobicContact CB-CE2 4.23Å; V120-F125 HydrophobicContact CG1-CB 3.87Å; V120-F125 HydrophobicContact CG1-CD1 3.86Å; V120-F125 HydrophobicContact CG1-CD2 2.99Å; V120-F125 HydrophobicContact CG1-CE1 4.12Å; V120-F125 HydrophobicContact CG1-CE2 3.28Å; V120-F125 HydrophobicContact CG1-CG 3.25Å; V120-F125 HydrophobicContact CG1-CZ 3.8Å
121	D	58.2	Low	66.3	Low	82 Å²	82	81.3 Å²	81.3	44%	0.439	41%	0.409	S	S	.	.			trans	-62.9	106.7	-179.9	-171.7	-6.9	0	0	0	111.5	Y123 Y124 F125	D121-Y123 PolarHBondContact O-N 3.09Å; D121-Y124 PolarHBondContact O-N 3.07Å; D121-F125 WeakPolarHBondContact O-CD2 3.47Å; D121-F125 PolarHBondContact O-N 2.94Å
122	D	60	Low	65.6	Low	113 Å²	113	81.3 Å²	81.3	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-53.2	-32.2	-171.1	-87.2	-29.1	0	0	0	113.3	V120 S126	V120-D122 PolarHBondContact O-N 3.14Å; D122-S126 WeakPolarHBondContact O-CB 3.27Å; D122-S126 PolarHBondContact O-N 2.98Å; D122-S126 VanDerWaalsContact O-N 3.1Å
123	Y	53	Low	65.6	Low	175 Å²	175	81.3 Å²	81.3	69%	0.686	40%	0.401	S	S	*	.	H	α-helix	trans	-67.8	-54.1	-178.2	-178.1	-100.6	0	0	0	112.2	D121 F125 S126	D121-Y123 PolarHBondContact O-N 3.09Å; Y123-F125 VanDerWaalsContact C-N 3.32Å; Y123-F125 PolarHBondContact O-N 3.02Å; Y123-S126 PolarHBondContact O-N 2.88Å; Y123-S126 PolarHBondContact O-OG 3.02Å
124	Y	57.8	Low	65.3	Low	96 Å²	96	78.3 Å²	78.3	38%	0.376	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-39.7	-178.1	-88.7	-82.3	0	0	0	111.8	Y61 D121 F127 V128	Y61-Y124 HydrophobicContact CD2-CE2 4.47Å; Y61-Y124 HydrophobicContact CE2-CD2 4.48Å; Y61-Y124 AromaticContact CE2-CE2 3.77Å; Y61-Y124 HydrophobicContact CE2-CE2 3.77Å; Y61-Y124 AromaticContact CE2-CZ 3.92Å; D121-Y124 PolarHBondContact O-N 3.07Å; Y124-F127 WeakPolarHBondContact O-CB 3.39Å; Y124-F127 PolarHBondContact O-N 3.36Å; Y124-V128 PolarHBondContact O-N 3.44Å
125	F	64.2	Low	65.2	Low	18 Å²	18	79.6 Å²	79.6	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-74.3	-28.2	-177.8	-76.8	-82.4	0	0	0	113.3	F70 E73 V120 D121 Y123 F127 V128 E129	F70-F125 HydrophobicContact CB-CZ 4.16Å; F70-F125 AromaticContact CD2-CE1 3.74Å; F70-F125 HydrophobicContact CD2-CE1 3.74Å; F70-F125 HydrophobicContact CD2-CE2 4.45Å; F70-F125 AromaticContact CD2-CZ 3.68Å; F70-F125 HydrophobicContact CD2-CZ 3.68Å; F70-F125 HydrophobicContact CE2-CE1 4.44Å; F70-F125 HydrophobicContact CG-CE1 4.48Å; F70-F125 HydrophobicContact CG-CZ 4.37Å; E73-F125 HydrophobicContact CB-CD1 3.99Å; E73-F125 HydrophobicContact CB-CE1 3.47Å; E73-F125 VanDerWaalsContact CB-CE1 3.47Å; E73-F125 HydrophobicContact CB-CZ 4.28Å; E73-F125 HydrophobicContact CG-CD1 3.25Å; E73-F125 HydrophobicContact CG-CE1 3.3Å; E73-F125 HydrophobicContact CG-CG 4.28Å; E73-F125 HydrophobicContact CG-CZ 4.32Å; V120-F125 HydrophobicContact CB-CD2 4.22Å; V120-F125 HydrophobicContact CB-CE2 4.23Å; V120-F125 HydrophobicContact CG1-CB 3.87Å; V120-F125 HydrophobicContact CG1-CD1 3.86Å; V120-F125 HydrophobicContact CG1-CD2 2.99Å; V120-F125 HydrophobicContact CG1-CE1 4.12Å; V120-F125 HydrophobicContact CG1-CE2 3.28Å; V120-F125 HydrophobicContact CG1-CG 3.25Å; V120-F125 HydrophobicContact CG1-CZ 3.8Å; D121-F125 WeakPolarHBondContact O-CD2 3.47Å; D121-F125 PolarHBondContact O-N 2.94Å; Y123-F125 VanDerWaalsContact C-N 3.32Å; Y123-F125 PolarHBondContact O-N 3.02Å; F125-F127 PolarHBondContact O-N 2.78Å; F125-V128 PolarHBondContact O-N 2.97Å; F125-E129 WeakPolarHBondContact O-CB 3.27Å; F125-E129 PolarHBondContact O-N 3.07Å
126	S	66.4	Low	65.5	Low	58 Å²	58	72.8 Å²	72.8	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-37	170.2	77.3	0	0	0	0	112.2	D122 Y123 K130	D122-S126 WeakPolarHBondContact O-CB 3.27Å; D122-S126 PolarHBondContact O-N 2.98Å; D122-S126 VanDerWaalsContact O-N 3.1Å; Y123-S126 PolarHBondContact O-N 2.88Å; Y123-S126 PolarHBondContact O-OG 3.02Å; S126-K130 WeakPolarHBondContact O-CB 3.34Å; S126-K130 PolarHBondContact O-N 3.1Å
127	F	62.4	Low	66	Low	104 Å²	104	70.7 Å²	70.7	46%	0.456	36%	0.359	S	S	.	.	H	α-helix	trans	-70	-45.3	177.9	-173.6	-94.8	0	0	0	111.7	E54 Y124 F125 K130 A131	E54-F127 VanDerWaalsContact OE2-CZ 3.27Å; E54-F127 WeakPolarHBondContact OE2-CZ 3.49Å; Y124-F127 WeakPolarHBondContact O-CB 3.39Å; Y124-F127 PolarHBondContact O-N 3.36Å; F125-F127 PolarHBondContact O-N 2.78Å; F127-K130 PolarHBondContact O-N 2.66Å; F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.42Å; F127-A131 PolarHBondContact O-N 3.28Å
128	V	64.7	Low	66.3	Low	18 Å²	18	69.6 Å²	69.6	11%	0.109	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-44.1	176.3	175.7	0	0	0	0	111.3	F70 I74 L77 Y124 F125 A131 V132	F70-V128 HydrophobicContact CE2-CG2 3.61Å; F70-V128 HydrophobicContact CZ-CG2 3.89Å; I74-V128 HydrophobicContact CD1-CG1 4.31Å; I74-V128 HydrophobicContact CG1-CG1 3.64Å; L77-V128 HydrophobicContact CD1-CG1 3.93Å; Y124-V128 PolarHBondContact O-N 3.44Å; F125-V128 PolarHBondContact O-N 2.97Å; V128-A131 WeakPolarHBondContact O-CA 3.47Å; V128-A131 WeakPolarHBondContact O-CB 3.15Å; V128-A131 PolarHBondContact O-N 3.26Å; V128-A131 VanDerWaalsContact O-N 3.08Å; V128-V132 HydrophobicContact CG1-CG2 4.42Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.22Å
129	E	72.8	Confident	66.7	Low	37 Å²	37	70.1 Å²	70.1	17%	0.173	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-50.8	176.3	178.2	165.2	-124.9	0	0	111.2	L77 Y81 R116 F125 A131 V132 E133	L77-E129 HydrophobicContact CD1-CB 4.05Å; L77-E129 HydrophobicContact CD2-CB 3.95Å; L77-E129 HydrophobicContact CD2-CG 3.77Å; Y81-E129 HydrophobicContact CE2-CG 3.92Å; Y81-E129 WeakPolarHBondContact OH-CG 3.47Å; R116-E129 IonicContact CZ-OE2 3.93Å; R116-E129 IonicContact NH2-OE1 3.73Å; R116-E129 PolarHBondContact NH2-OE1 3.26Å; R116-E129 IonicContact NH2-OE2 2.8Å; R116-E129 PolarHBondContact NH2-OE2 2.82Å; F125-E129 WeakPolarHBondContact O-CB 3.27Å; F125-E129 PolarHBondContact O-N 3.07Å; E129-A131 PolarHBondContact O-N 3.23Å; E129-V132 PolarHBondContact O-N 2.9Å; E129-E133 WeakPolarHBondContact O-CB 3.37Å; E129-E133 PolarHBondContact O-N 3.15Å
130	K	73.6	Confident	67.6	Low	142 Å²	142	65.6 Å²	65.6	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-57.2	-36.7	174.1	-174.8	174.9	-176.5	176.9	0	111.7	S126 F127 T134	S126-K130 WeakPolarHBondContact O-CB 3.34Å; S126-K130 PolarHBondContact O-N 3.1Å; F127-K130 PolarHBondContact O-N 2.66Å; K130-T134 WeakPolarHBondContact O-CB 3.29Å; K130-T134 PolarHBondContact O-N 2.91Å; K130-T134 PolarHBondContact O-OG1 3.36Å
131	A	67.3	Low	68.5	Low	18 Å²	18	69.3 Å²	69.3	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-68.7	-42.8	-179.4	0	0	0	0	0	113.2	R51 F127 V128 E129 K135	R51-A131 PolarHBondContact NH2-O 2.86Å; R51-A131 VanDerWaalsContact NH2-O 3.1Å; F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.42Å; F127-A131 PolarHBondContact O-N 3.28Å; V128-A131 WeakPolarHBondContact O-CA 3.47Å; V128-A131 WeakPolarHBondContact O-CB 3.15Å; V128-A131 PolarHBondContact O-N 3.26Å; V128-A131 VanDerWaalsContact O-N 3.08Å; E129-A131 PolarHBondContact O-N 3.23Å; A131-K135 PolarHBondContact O-N 3.44Å
132	V	63.8	Low	68.9	Low	10 Å²	10	70.5 Å²	70.5	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-42.7	175.2	173.9	0	0	0	0	110.7	L77 E78 Y81 V128 E129 T134 K135 W136	L77-V132 HydrophobicContact CB-CB 4.36Å; L77-V132 HydrophobicContact CB-CG1 4.13Å; L77-V132 HydrophobicContact CB-CG2 4.31Å; E78-V132 HydrophobicContact CG-CG1 4.21Å; Y81-V132 HydrophobicContact CD2-CG1 3.96Å; Y81-V132 HydrophobicContact CG-CG1 4.35Å; V128-V132 HydrophobicContact CG1-CG2 4.42Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 3.22Å; E129-V132 PolarHBondContact O-N 2.9Å; V132-T134 PolarHBondContact O-N 3.13Å; V132-K135 WeakPolarHBondContact O-CB 3.42Å; V132-K135 PolarHBondContact O-N 3.13Å; V132-W136 PolarHBondContact O-N 3.43Å; V132-W136 VanDerWaalsContact O-N 3.13Å
133	E	80	Confident	69.3	Low	56 Å²	56	66.4 Å²	66.4	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-56.2	-50.9	174.5	177.6	158.9	-151.9	0	0	111.6	Y81 K84 E129 K135 W136 N137	Y81-E133 HydrophobicContact CD1-CB 3.84Å; Y81-E133 HydrophobicContact CD1-CG 3.93Å; Y81-E133 HydrophobicContact CE1-CB 3.36Å; Y81-E133 VanDerWaalsContact CE1-CD 3.42Å; Y81-E133 HydrophobicContact CE1-CG 3.37Å; Y81-E133 HydrophobicContact CE2-CB 4.24Å; Y81-E133 HydrophobicContact CG-CB 4.43Å; Y81-E133 PolarHBondContact OH-OE2 3.41Å; K84-E133 IonicContact NZ-OE1 2.98Å; K84-E133 PolarHBondContact NZ-OE1 3.44Å; E129-E133 WeakPolarHBondContact O-CB 3.37Å; E129-E133 PolarHBondContact O-N 3.15Å; E133-K135 PolarHBondContact O-N 3.23Å; E133-W136 PolarHBondContact O-N 3.5Å; E133-W136 VanDerWaalsContact O-N 3.15Å; E133-N137 WeakPolarHBondContact CG-ND2 3.39Å; E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 2.98Å
134	T	76.9	Confident	70.4	Confident	53 Å²	53	60.3 Å²	60.3	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-58.1	-39.2	-179.3	-59.6	0	0	0	0	111.5	M47 K130 V132 A138	M47-T134 HydrophobicContact CE-CG2 4.26Å; K130-T134 WeakPolarHBondContact O-CB 3.29Å; K130-T134 PolarHBondContact O-N 2.91Å; K130-T134 PolarHBondContact O-OG1 3.36Å; V132-T134 PolarHBondContact O-N 3.13Å; T134-A138 WeakPolarHBondContact O-CB 3.38Å; T134-A138 PolarHBondContact O-N 3.31Å
135	K	75.8	Confident	70.8	Confident	104 Å²	104	57.9 Å²	57.9	45%	0.452	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-49.5	176.8	173.9	-163.9	175.6	-162.8	0	111.2	E78 A131 V132 E133 A138 R139	E78-K135 IonicContact OE1-NZ 3.03Å; E78-K135 PolarHBondContact OE1-NZ 3.43Å; E78-K135 IonicContact OE2-NZ 3.64Å; E78-K135 PolarHBondContact OE2-NZ 3.15Å; A131-K135 PolarHBondContact O-N 3.44Å; V132-K135 WeakPolarHBondContact O-CB 3.42Å; V132-K135 PolarHBondContact O-N 3.13Å; E133-K135 PolarHBondContact O-N 3.23Å; K135-A138 PolarHBondContact O-N 3.2Å; K135-R139 PolarHBondContact O-N 2.87Å
136	W	75.7	Confident	70.5	Confident	46 Å²	46	59.6 Å²	59.6	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-34.8	-178.4	-77	105.9	0	0	0	112.9	E78 W85 V132 E133 R139 L140	E78-W136 PolarHBondContact OE2-NE1 3.2Å; W85-W136 HydrophobicContact CB-CB 4.47Å; W85-W136 HydrophobicContact CB-CD2 4.38Å; W85-W136 HydrophobicContact CB-CE3 3.68Å; W85-W136 HydrophobicContact CB-CZ3 4.34Å; W85-W136 AromaticContact CD2-CE3 3.72Å; W85-W136 HydrophobicContact CD2-CE3 3.72Å; W85-W136 AromaticContact CD2-CZ3 3.53Å; W85-W136 HydrophobicContact CD2-CZ3 3.53Å; W85-W136 AromaticContact CE3-CE3 3.75Å; W85-W136 HydrophobicContact CE3-CE3 3.75Å; W85-W136 AromaticContact CE3-CH2 3.96Å; W85-W136 HydrophobicContact CE3-CH2 3.96Å; W85-W136 AromaticContact CE3-CZ3 3.15Å; W85-W136 HydrophobicContact CE3-CZ3 3.15Å; W85-W136 AromaticContact CG-CE3 3.69Å; W85-W136 HydrophobicContact CG-CE3 3.69Å; W85-W136 HydrophobicContact CG-CZ3 4.04Å; W85-W136 HydrophobicContact CH2-CZ3 4.45Å; W85-W136 HydrophobicContact CZ3-CH2 4.22Å; W85-W136 AromaticContact CZ3-CZ3 3.68Å; W85-W136 HydrophobicContact CZ3-CZ3 3.68Å; V132-W136 PolarHBondContact O-N 3.43Å; V132-W136 VanDerWaalsContact O-N 3.13Å; E133-W136 PolarHBondContact O-N 3.5Å; E133-W136 VanDerWaalsContact O-N 3.15Å; W136-R139 HydrophobicContact CE3-CB 4.4Å; W136-R139 HydrophobicContact CE3-CG 4.41Å; W136-R139 HydrophobicContact CZ3-CG 4.47Å; W136-R139 WeakPolarHBondContact O-CB 3.35Å; W136-R139 PolarHBondContact O-N 3.2Å; W136-L140 PolarHBondContact O-N 3.33Å
137	N	79.2	Confident	70.5	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-40.9	171.8	-71.5	-16.7	0	0	0	111.9	E133 R139 L140 N141	E133-N137 WeakPolarHBondContact CG-ND2 3.39Å; E133-N137 WeakPolarHBondContact O-CB 3.4Å; E133-N137 PolarHBondContact O-N 2.98Å; N137-R139 VanDerWaalsContact C-N 3.29Å; N137-R139 PolarHBondContact O-N 3.1Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.74Å; N137-N141 PolarHBondContact O-N 3Å
138	A	66.5	Low	70.9	Confident	29 Å²	29	61.5 Å²	61.5	24%	0.24	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-36.8	174.4	0	0	0	0	0	111.9	T134 K135 F142	T134-A138 WeakPolarHBondContact O-CB 3.38Å; T134-A138 PolarHBondContact O-N 3.31Å; K135-A138 PolarHBondContact O-N 3.2Å; A138-F142 PolarHBondContact O-N 3.39Å
139	R	67.8	Low	70.5	Confident	121 Å²	121	67 Å²	67	46%	0.457	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-46.2	174.2	179.2	56.5	-175	-96.2	1.3	111.8	W85 K135 W136 N137 N141 F142 D143	W85-R139 HydrophobicContact CZ2-CG 4.4Å; K135-R139 PolarHBondContact O-N 2.87Å; W136-R139 HydrophobicContact CE3-CB 4.4Å; W136-R139 HydrophobicContact CE3-CG 4.41Å; W136-R139 HydrophobicContact CZ3-CG 4.47Å; W136-R139 WeakPolarHBondContact O-CB 3.35Å; W136-R139 PolarHBondContact O-N 3.2Å; N137-R139 VanDerWaalsContact C-N 3.29Å; N137-R139 PolarHBondContact O-N 3.1Å; R139-N141 VanDerWaalsContact C-N 3.35Å; R139-N141 PolarHBondContact O-N 3.22Å; R139-F142 WeakPolarHBondContact O-CB 3.46Å; R139-F142 PolarHBondContact O-N 3.08Å; R139-F142 VanDerWaalsContact O-N 3.16Å; R139-D143 WeakPolarHBondContact CD-OD2 3.47Å; R139-D143 IonicContact CZ-OD1 2.66Å; R139-D143 IonicContact CZ-OD2 2.61Å; R139-D143 VanDerWaalsContact NE-CG 3.32Å; R139-D143 IonicContact NE-OD1 3.1Å; R139-D143 PolarHBondContact NE-OD1 2.88Å; R139-D143 IonicContact NE-OD2 3.24Å; R139-D143 PolarHBondContact NE-OD2 3.27Å; R139-D143 IonicContact NH2-OD1 3.41Å; R139-D143 IonicContact NH2-OD2 2.88Å; R139-D143 PolarHBondContact O-N 2.83Å
140	L	77.8	Confident	69.8	Low	21 Å²	21	69.9 Å²	69.9	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-53.4	-51.7	175.8	-179.1	60.9	0	0	0	111.3	D88 L89 W136 N137 F142 D143 L144	D88-L140 HydrophobicContact CB-CD1 4.24Å; D88-L140 HydrophobicContact CB-CD2 3.85Å; L89-L140 HydrophobicContact CB-CD1 3.91Å; L89-L140 HydrophobicContact CD1-CD1 4.42Å; W136-L140 PolarHBondContact O-N 3.33Å; N137-L140 WeakPolarHBondContact O-CB 3.5Å; N137-L140 PolarHBondContact O-N 2.74Å; L140-F142 VanDerWaalsContact C-N 3.28Å; L140-F142 PolarHBondContact O-N 2.91Å; L140-D143 PolarHBondContact O-N 2.95Å; L140-L144 HydrophobicContact CD1-CD1 3.99Å; L140-L144 HydrophobicContact CD1-CG 4.08Å; L140-L144 HydrophobicContact CG-CD1 3.92Å; L140-L144 HydrophobicContact CG-CG 4.38Å; L140-L144 VanDerWaalsContact O-CG 3.32Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 3.03Å
141	N	76	Confident	69.5	Low	96 Å²	96	66.1 Å²	66.1	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-59.6	-38.8	-179.9	-71.3	-17.1	0	0	0	112.6	N137 R139 A145	N137-N141 PolarHBondContact O-N 3Å; R139-N141 VanDerWaalsContact C-N 3.35Å; R139-N141 PolarHBondContact O-N 3.22Å; N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.21Å; N141-A145 PolarHBondContact O-N 3.21Å
142	F	65.3	Low	69.2	Low	108 Å²	108	70.4 Å²	70.4	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-46.6	176.9	177.6	-93	0	0	0	112.2	A138 R139 L140 A145 T146	A138-F142 PolarHBondContact O-N 3.39Å; R139-F142 WeakPolarHBondContact O-CB 3.46Å; R139-F142 PolarHBondContact O-N 3.08Å; R139-F142 VanDerWaalsContact O-N 3.16Å; L140-F142 VanDerWaalsContact C-N 3.28Å; L140-F142 PolarHBondContact O-N 2.91Å; F142-A145 PolarHBondContact O-N 3.31Å; F142-T146 WeakPolarHBondContact O-CB 3.45Å; F142-T146 PolarHBondContact O-N 3.42Å; F142-T146 PolarHBondContact O-OG1 2.86Å
143	D	68.6	Low	68.7	Low	26 Å²	26	73.4 Å²	73.4	14%	0.139	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-41.8	-179.4	-67.1	-28.9	0	0	0	111	W85 L89 R139 L140 A145 T146 D147	W85-D143 VanDerWaalsContact CZ2-OD2 3.25Å; W85-D143 WeakPolarHBondContact CZ2-OD2 3.45Å; W85-D143 PolarHBondContact NE1-OD2 3.41Å; L89-D143 HydrophobicContact CD1-CB 3.88Å; L89-D143 HydrophobicContact CD2-CB 4.39Å; R139-D143 WeakPolarHBondContact CD-OD2 3.47Å; R139-D143 IonicContact CZ-OD1 2.66Å; R139-D143 IonicContact CZ-OD2 2.61Å; R139-D143 VanDerWaalsContact NE-CG 3.32Å; R139-D143 IonicContact NE-OD1 3.1Å; R139-D143 PolarHBondContact NE-OD1 2.88Å; R139-D143 IonicContact NE-OD2 3.24Å; R139-D143 PolarHBondContact NE-OD2 3.27Å; R139-D143 IonicContact NH2-OD1 3.41Å; R139-D143 IonicContact NH2-OD2 2.88Å; R139-D143 PolarHBondContact O-N 2.83Å; L140-D143 PolarHBondContact O-N 2.95Å; D143-A145 PolarHBondContact O-N 2.82Å; D143-T146 WeakPolarHBondContact O-CB 3.38Å; D143-T146 PolarHBondContact O-N 3.04Å; D143-D147 PolarHBondContact O-N 2.92Å
144	L	75.8	Confident	67.6	Low	48 Å²	48	73.4 Å²	73.4	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-41.4	175.2	-68.2	176.6	0	0	0	112.7	L89 S92 I93 L140 T146 D147 K148	L89-L144 HydrophobicContact CD1-CD2 3.85Å; L89-L144 HydrophobicContact CD1-CG 4.34Å; S92-L144 VanDerWaalsContact CB-CD2 3.45Å; I93-L144 HydrophobicContact CG2-CD2 4Å; L140-L144 HydrophobicContact CD1-CD1 3.99Å; L140-L144 HydrophobicContact CD1-CG 4.08Å; L140-L144 HydrophobicContact CG-CD1 3.92Å; L140-L144 HydrophobicContact CG-CG 4.38Å; L140-L144 VanDerWaalsContact O-CG 3.32Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 3.03Å; L144-T146 VanDerWaalsContact C-N 3.28Å; L144-T146 PolarHBondContact O-N 3.2Å; L144-D147 PolarHBondContact O-N 3.2Å; L144-K148 WeakPolarHBondContact O-CB 3.34Å; L144-K148 PolarHBondContact O-N 3.38Å
145	A	66.5	Low	66.7	Low	45 Å²	45	74 Å²	74	37%	0.372	38%	0.384	S	S	.	.	H	α-helix	trans	-64.6	-36.3	175.8	0	0	0	0	0	111.8	N141 F142 D143 Y149	N141-A145 VanDerWaalsContact O-CB 3.3Å; N141-A145 WeakPolarHBondContact O-CB 3.21Å; N141-A145 PolarHBondContact O-N 3.21Å; F142-A145 PolarHBondContact O-N 3.31Å; D143-A145 PolarHBondContact O-N 2.82Å; A145-Y149 WeakPolarHBondContact O-CB 3.31Å; A145-Y149 PolarHBondContact O-N 3.25Å; A145-Y149 VanDerWaalsContact O-N 3.1Å
146	T	59.1	Low	65.6	Low	53 Å²	53	71.3 Å²	71.3	33%	0.325	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-47.8	176.3	-58.7	0	0	0	0	110.8	F142 D143 L144 K148 Y149 L150	F142-T146 WeakPolarHBondContact O-CB 3.45Å; F142-T146 PolarHBondContact O-N 3.42Å; F142-T146 PolarHBondContact O-OG1 2.86Å; D143-T146 WeakPolarHBondContact O-CB 3.38Å; D143-T146 PolarHBondContact O-N 3.04Å; L144-T146 VanDerWaalsContact C-N 3.28Å; L144-T146 PolarHBondContact O-N 3.2Å; T146-K148 PolarHBondContact O-N 3.38Å; T146-Y149 PolarHBondContact O-N 2.88Å; T146-Y149 VanDerWaalsContact O-N 3.17Å; T146-L150 HydrophobicContact CG2-CD1 4.07Å; T146-L150 HydrophobicContact CG2-CG 4.4Å; T146-L150 WeakPolarHBondContact O-CG 3.4Å; T146-L150 PolarHBondContact O-N 2.92Å
147	D	65	Low	64.4	Low	59 Å²	59	75.4 Å²	75.4	32%	0.316	40%	0.396	S	S	.	.	H	α-helix	trans	-58.8	-45.7	177.3	-177.7	71.1	0	0	0	111.9	I93 D143 L144 Y149 L150 S151	I93-D147 HydrophobicContact CG2-CB 4.02Å; I93-D147 WeakPolarHBondContact CG2-OD2 3.43Å; D143-D147 PolarHBondContact O-N 2.92Å; L144-D147 PolarHBondContact O-N 3.2Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; D147-Y149 PolarHBondContact O-N 2.98Å; D147-L150 PolarHBondContact O-N 3.43Å; D147-S151 WeakPolarHBondContact O-CB 3.31Å; D147-S151 PolarHBondContact O-N 3.37Å; D147-S151 PolarHBondContact O-OG 3.36Å; D147-S151 VanDerWaalsContact O-OG 3.12Å
148	K	70.3	Confident	63	Low	144 Å²	144	81.3 Å²	81.3	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-57	-45.3	174.6	-175.8	176.5	-178.9	177.4	0	112	L144 T146 S151 M152	L144-K148 WeakPolarHBondContact O-CB 3.34Å; L144-K148 PolarHBondContact O-N 3.38Å; T146-K148 PolarHBondContact O-N 3.38Å; K148-S151 PolarHBondContact O-N 2.98Å; K148-M152 HydrophobicContact CG-SD 4.47Å; K148-M152 VanDerWaalsContact O-CG 3.31Å; K148-M152 WeakPolarHBondContact O-CG 3.48Å; K148-M152 PolarHBondContact O-N 2.92Å
149	Y	57.4	Low	61.9	Low	134 Å²	134	84 Å²	84	53%	0.525	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-44	178.9	176.4	-106.4	0	0	0	112.2	A145 T146 D147 S151 M152 L153	A145-Y149 WeakPolarHBondContact O-CB 3.31Å; A145-Y149 PolarHBondContact O-N 3.25Å; A145-Y149 VanDerWaalsContact O-N 3.1Å; T146-Y149 PolarHBondContact O-N 2.88Å; T146-Y149 VanDerWaalsContact O-N 3.17Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; D147-Y149 PolarHBondContact O-N 2.98Å; Y149-S151 VanDerWaalsContact C-N 3.34Å; Y149-S151 PolarHBondContact O-N 2.97Å; Y149-M152 WeakPolarHBondContact O-CB 3.31Å; Y149-M152 PolarHBondContact O-N 3.3Å; Y149-L153 HydrophobicContact CD1-CD1 4Å; Y149-L153 HydrophobicContact CE1-CD1 3.38Å; Y149-L153 HydrophobicContact CE1-CG 4.08Å; Y149-L153 HydrophobicContact CE2-CD1 4.43Å; Y149-L153 HydrophobicContact CE2-CD2 4.48Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 PolarHBondContact O-N 2.93Å
150	L	58.4	Low	60.5	Low	96 Å²	96	80.7 Å²	80.7	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-41.4	176.7	-68.8	175.4	0	0	0	111.7	T146 D147 M152 L153 A154	T146-L150 HydrophobicContact CG2-CD1 4.07Å; T146-L150 HydrophobicContact CG2-CG 4.4Å; T146-L150 WeakPolarHBondContact O-CG 3.4Å; T146-L150 PolarHBondContact O-N 2.92Å; D147-L150 PolarHBondContact O-N 3.43Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.48Å; L150-L153 PolarHBondContact O-N 3.14Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.21Å
151	S	66.3	Low	58.6	Low	64 Å²	64	87.5 Å²	87.5	45%	0.448	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174.1	-70.8	0	0	0	0	112.1	D147 K148 Y149 A154 S155	D147-S151 WeakPolarHBondContact O-CB 3.31Å; D147-S151 PolarHBondContact O-N 3.37Å; D147-S151 PolarHBondContact O-OG 3.36Å; D147-S151 VanDerWaalsContact O-OG 3.12Å; K148-S151 PolarHBondContact O-N 2.98Å; Y149-S151 VanDerWaalsContact C-N 3.34Å; Y149-S151 PolarHBondContact O-N 2.97Å; S151-A154 PolarHBondContact O-N 3.33Å; S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 3.47Å
152	M	62	Low	56.8	Low	108 Å²	108	88.3 Å²	88.3	53%	0.532	48%	0.475	S	S	.	.	H	α-helix	trans	-63.9	-40.8	173.3	-73.4	176.9	67.6	0	0	112.5	K148 Y149 L150 A154 S155 T156	K148-M152 HydrophobicContact CG-SD 4.47Å; K148-M152 VanDerWaalsContact O-CG 3.31Å; K148-M152 WeakPolarHBondContact O-CG 3.48Å; K148-M152 PolarHBondContact O-N 2.92Å; Y149-M152 WeakPolarHBondContact O-CB 3.31Å; Y149-M152 PolarHBondContact O-N 3.3Å; L150-M152 VanDerWaalsContact C-N 3.35Å; L150-M152 PolarHBondContact O-N 3.48Å; M152-A154 VanDerWaalsContact C-N 3.34Å; M152-S155 PolarHBondContact O-N 3.24Å; M152-S155 PolarHBondContact O-OG 3.42Å; M152-T156 WeakPolarHBondContact O-CB 3.44Å; M152-T156 PolarHBondContact O-N 3.36Å; M152-T156 PolarHBondContact O-OG1 3.23Å
153	L	53.5	Low	55.4	Low	73 Å²	73	87.4 Å²	87.4	38%	0.382	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-39	175.9	-73.9	178.8	0	0	0	112	Y149 L150 T156 K157	Y149-L153 HydrophobicContact CD1-CD1 4Å; Y149-L153 HydrophobicContact CE1-CD1 3.38Å; Y149-L153 HydrophobicContact CE1-CG 4.08Å; Y149-L153 HydrophobicContact CE2-CD1 4.43Å; Y149-L153 HydrophobicContact CE2-CD2 4.48Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 PolarHBondContact O-N 2.93Å; L150-L153 PolarHBondContact O-N 3.14Å; L153-T156 PolarHBondContact O-N 3.01Å; L153-K157 PolarHBondContact O-N 2.91Å
154	A	56.6	Low	53.7	Low	55 Å²	55	93.5 Å²	93.5	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-66.1	-42.8	177.3	0	0	0	0	0	111.9	L150 S151 M152 K157 K158	L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.21Å; S151-A154 PolarHBondContact O-N 3.33Å; M152-A154 VanDerWaalsContact C-N 3.34Å; A154-K157 PolarHBondContact O-N 3.02Å; A154-K158 PolarHBondContact O-N 3.02Å
155	S	56.4	Low	52.1	Low	67 Å²	67	99.1 Å²	99.1	47%	0.469	55%	0.551	S	S	.	*	H	α-helix	trans	-65.7	-40.7	175.4	65.6	0	0	0	0	111.7	S151 M152 K157 K158 S159	S151-S155 PolarHBondContact O-N 3.43Å; S151-S155 PolarHBondContact O-OG 3.47Å; M152-S155 PolarHBondContact O-N 3.24Å; M152-S155 PolarHBondContact O-OG 3.42Å; S155-K157 VanDerWaalsContact C-N 3.3Å; S155-K157 PolarHBondContact O-N 2.61Å; S155-K158 PolarHBondContact O-N 3.1Å; S155-K158 VanDerWaalsContact O-N 3.14Å; S155-S159 PolarHBondContact O-N 3.18Å; S155-S159 PolarHBondContact O-OG 3.07Å
156	T	53.5	Low	51.1	Low	47 Å²	47	103.8 Å²	103.8	29%	0.288	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-35.5	175.7	-47.8	0	0	0	0	111.8	M152 L153 S159 S160	M152-T156 WeakPolarHBondContact O-CB 3.44Å; M152-T156 PolarHBondContact O-N 3.36Å; M152-T156 PolarHBondContact O-OG1 3.23Å; L153-T156 PolarHBondContact O-N 3.01Å; T156-S159 WeakPolarHBondContact CA-OG 3.36Å; T156-S159 PolarHBondContact O-OG 3.42Å; T156-S160 WeakPolarHBondContact O-CB 3.48Å; T156-S160 PolarHBondContact O-N 2.83Å; T156-S160 PolarHBondContact O-OG 3.33Å; T156-S160 VanDerWaalsContact O-OG 3.1Å
157	K	50.8	Low	50.7	Low	132 Å²	132	107.4 Å²	107.4	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-68	-37.9	173.3	-83.8	-175.8	178	179.3	0	112.5	L153 A154 S155	L153-K157 PolarHBondContact O-N 2.91Å; A154-K157 PolarHBondContact O-N 3.02Å; S155-K157 VanDerWaalsContact C-N 3.3Å; S155-K157 PolarHBondContact O-N 2.61Å
158	K	48.9	Very low	50.1	Low	181 Å²	181	107 Å²	107	79%	0.787	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-36.2	175.8	-78.8	-174.2	176.4	-178.7	0	111.9	A154 S155	A154-K158 PolarHBondContact O-N 3.02Å; S155-K158 PolarHBondContact O-N 3.1Å; S155-K158 VanDerWaalsContact O-N 3.14Å
159	S	45	Very low	48.8	Very low	86 Å²	86	106.4 Å²	106.4	60%	0.601	58%	0.575	S	S	*	*	H	α-helix	trans	-80.1	-25.4	177.3	64.6	0	0	0	0	113.4	S155 T156 L161	S155-S159 PolarHBondContact O-N 3.18Å; S155-S159 PolarHBondContact O-OG 3.07Å; T156-S159 WeakPolarHBondContact CA-OG 3.36Å; T156-S159 PolarHBondContact O-OG 3.42Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 2.98Å
160	S	37.4	Very low	48.7	Very low	52 Å²	52	103.6 Å²	103.6	36%	0.364	57%	0.574	S	S	.	*			trans	-87.7	34	-176.8	81	0	0	0	0	114.6	T156 T162	T156-S160 WeakPolarHBondContact O-CB 3.48Å; T156-S160 PolarHBondContact O-N 2.83Å; T156-S160 PolarHBondContact O-OG 3.33Å; T156-S160 VanDerWaalsContact O-OG 3.1Å; S160-T162 PolarHBondContact O-N 3.49Å
161	L	38.3	Very low	48.4	Very low	163 Å²	163	103 Å²	103	85%	0.853	57%	0.569	S	S	*	*			trans	-70.7	6.6	164.2	-100.6	159.9	0	0	0	112.7	S159	S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 2.98Å
162	T	38.9	Very low	47.4	Very low	113 Å²	113	104.6 Å²	104.6	69%	0.693	57%	0.566	S	S	*	*	S	Bend	trans	-120.4	125	168.7	44.8	0	0	0	0	111.9	S160	S160-T162 PolarHBondContact O-N 3.49Å
163	A	35.6	Very low	46.8	Very low	90 Å²	90	106.2 Å²	106.2	74%	0.744	57%	0.569	S	S	*	*			trans	70.6	102.7	151.5	0	0	0	0	0	119.9
164	N	33	Very low	47.2	Very low	153 Å²	153	108.5 Å²	108.5	82%	0.818	58%	0.58	S	S	*	*	S	Bend		42.4	98	124.4	-65.9	-7.6	0	0	0	118.2
165	N	41.9	Very low	47.1	Very low	167 Å²	167	108.3 Å²	108.3	89%	0.893	58%	0.575	S	S	*	*			trans	162.9	0	139.8	-87.2	-6.7	0	0	0	113	K167	N165-K167 PolarHBondContact O-N 3.04Å
166	R	45.9	Very low	46.7	Very low	143 Å²	143	110.6 Å²	110.6	54%	0.54	58%	0.581	S	S	.	*	S	Bend	trans	-88.5	112.1	-177	-142.7	176.7	-86.4	176.3	-11.2	109.1	S168	R166-S168 PolarHBondContact O-N 3.33Å
167	K	49.6	Very low	47.1	Very low	129 Å²	129	113.6 Å²	113.6	56%	0.561	59%	0.592	S	S	*	*			trans	-28	130.7	172.9	-81.7	-173.2	176	178	0	111.6	N165 E171 R172	N165-K167 PolarHBondContact O-N 3.04Å; K167-E171 VanDerWaalsContact C-OE2 3.31Å; K167-E171 WeakPolarHBondContact CA-OE2 3.48Å; K167-E171 HydrophobicContact CB-CB 3.97Å; K167-E171 WeakPolarHBondContact CB-OE2 3.38Å; K167-E171 HydrophobicContact CD-CB 4.35Å; K167-E171 HydrophobicContact CG-CB 4.34Å; K167-E171 VanDerWaalsContact CG-OE2 3.31Å; K167-E171 WeakPolarHBondContact CG-OE2 2.85Å; K167-R172 HydrophobicContact CB-CG 4.26Å; K167-R172 PolarHBondContact O-NE 3.16Å; K167-R172 PolarHBondContact O-NH2 3.45Å
168	S	51.9	Low	47.6	Very low	51 Å²	51	112.2 Å²	112.2	36%	0.357	59%	0.588	S	S	.	*			trans	-57.4	160.8	-175.2	77.4	0	0	0	0	111.1	R166 S170 E171 R172	R166-S168 PolarHBondContact O-N 3.33Å; S168-S170 PolarHBondContact O-N 3.42Å; S168-S170 PolarHBondContact OG-N 2.67Å; S168-S170 PolarHBondContact OG-OG 3.31Å; S168-E171 PolarHBondContact N-OE2 3.06Å; S168-E171 PolarHBondContact O-N 2.88Å; S168-E171 VanDerWaalsContact O-N 3.12Å; S168-E171 WeakPolarHBondContact OG-CG 3.39Å; S168-E171 PolarHBondContact OG-N 3.46Å; S168-R172 PolarHBondContact O-N 3.33Å; S168-R172 VanDerWaalsContact O-N 3.12Å
169	L	44.2	Very low	47.7	Very low	131 Å²	131	106.9 Å²	106.9	69%	0.686	57%	0.567	S	S	*	*	H	α-helix	trans	-54.8	-36	177	-168.9	82.2	0	0	0	110.9	K173	L169-K173 WeakPolarHBondContact O-CB 3.25Å; L169-K173 PolarHBondContact O-N 2.96Å
170	S	54.3	Low	47.9	Very low	74 Å²	74	108.1 Å²	108.1	52%	0.517	56%	0.564	S	S	.	*	H	α-helix	trans	-66.9	-43.5	178	70.2	0	0	0	0	111.9	S168 R172 K173 M174	S168-S170 PolarHBondContact O-N 3.42Å; S168-S170 PolarHBondContact OG-N 2.67Å; S168-S170 PolarHBondContact OG-OG 3.31Å; S170-R172 VanDerWaalsContact C-N 3.33Å; S170-R172 PolarHBondContact O-N 2.64Å; S170-K173 WeakPolarHBondContact O-CB 3.49Å; S170-K173 PolarHBondContact O-N 2.94Å; S170-K173 VanDerWaalsContact O-N 3.15Å; S170-M174 WeakPolarHBondContact O-CG 3.46Å; S170-M174 PolarHBondContact O-N 3.43Å
171	E	52.4	Low	49.3	Very low	85 Å²	85	112.3 Å²	112.3	40%	0.397	58%	0.575	S	S	.	*	H	α-helix	trans	-63.2	-37.9	178.8	-72.7	169.5	172	0	0	112.5	K167 S168 S175	K167-E171 VanDerWaalsContact C-OE2 3.31Å; K167-E171 WeakPolarHBondContact CA-OE2 3.48Å; K167-E171 HydrophobicContact CB-CB 3.97Å; K167-E171 WeakPolarHBondContact CB-OE2 3.38Å; K167-E171 HydrophobicContact CD-CB 4.35Å; K167-E171 HydrophobicContact CG-CB 4.34Å; K167-E171 VanDerWaalsContact CG-OE2 3.31Å; K167-E171 WeakPolarHBondContact CG-OE2 2.85Å; S168-E171 PolarHBondContact N-OE2 3.06Å; S168-E171 PolarHBondContact O-N 2.88Å; S168-E171 VanDerWaalsContact O-N 3.12Å; S168-E171 WeakPolarHBondContact OG-CG 3.39Å; S168-E171 PolarHBondContact OG-N 3.46Å; E171-S175 PolarHBondContact O-N 3.2Å; E171-S175 PolarHBondContact O-OG 2.88Å
172	R	45.9	Very low	50.2	Low	97 Å²	97	109.3 Å²	109.3	37%	0.366	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-40.7	173.8	-71.5	-179.2	-120.4	177	0.4	111.7	K167 S168 S170 M174 S175 L176	K167-R172 HydrophobicContact CB-CG 4.26Å; K167-R172 PolarHBondContact O-NE 3.16Å; K167-R172 PolarHBondContact O-NH2 3.45Å; S168-R172 PolarHBondContact O-N 3.33Å; S168-R172 VanDerWaalsContact O-N 3.12Å; S170-R172 VanDerWaalsContact C-N 3.33Å; S170-R172 PolarHBondContact O-N 2.64Å; R172-M174 VanDerWaalsContact C-N 3.34Å; R172-S175 PolarHBondContact O-N 3.4Å; R172-L176 PolarHBondContact O-N 2.67Å
173	K	49.3	Very low	50.5	Low	141 Å²	141	108.5 Å²	108.5	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-63.6	-41.2	176.6	-140.6	178	-174.7	-175.6	0	111.2	L169 S170 L176 Q177	L169-K173 WeakPolarHBondContact O-CB 3.25Å; L169-K173 PolarHBondContact O-N 2.96Å; S170-K173 WeakPolarHBondContact O-CB 3.49Å; S170-K173 PolarHBondContact O-N 2.94Å; S170-K173 VanDerWaalsContact O-N 3.15Å; K173-L176 PolarHBondContact O-N 3.45Å; K173-Q177 WeakPolarHBondContact O-CG 3.42Å; K173-Q177 PolarHBondContact O-N 2.98Å
174	M	61	Low	51.6	Low	122 Å²	122	110.3 Å²	110.3	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-43.2	175	-69.3	-142.2	-64.1	0	0	112	S170 R172 L176 Q177 Q178	S170-M174 WeakPolarHBondContact O-CG 3.46Å; S170-M174 PolarHBondContact O-N 3.43Å; R172-M174 VanDerWaalsContact C-N 3.34Å; M174-L176 VanDerWaalsContact C-N 3.31Å; M174-L176 PolarHBondContact O-N 3.31Å; M174-Q177 PolarHBondContact O-N 3.4Å; M174-Q178 WeakPolarHBondContact O-CB 3.13Å; M174-Q178 PolarHBondContact O-N 3.05Å
175	S	54.8	Low	52.6	Low	50 Å²	50	109.4 Å²	109.4	35%	0.35	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-40.8	177.2	-55.1	0	0	0	0	111.6	E171 R172 Q178 L179	E171-S175 PolarHBondContact O-N 3.2Å; E171-S175 PolarHBondContact O-OG 2.88Å; R172-S175 PolarHBondContact O-N 3.4Å; S175-Q178 PolarHBondContact O-N 3.02Å; S175-L179 PolarHBondContact O-N 2.7Å
176	L	47.6	Very low	52.8	Low	115 Å²	115	104.8 Å²	104.8	60%	0.602	50%	0.504	S	S	*	.	H	α-helix	trans	-65.2	-44.8	174.9	-90.1	157.7	0	0	0	112.4	R172 K173 M174 Q178 L179 E180	R172-L176 PolarHBondContact O-N 2.67Å; K173-L176 PolarHBondContact O-N 3.45Å; M174-L176 VanDerWaalsContact C-N 3.31Å; M174-L176 PolarHBondContact O-N 3.31Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 2.69Å; L176-L179 PolarHBondContact O-N 3.35Å; L176-E180 WeakPolarHBondContact O-CB 3.39Å; L176-E180 PolarHBondContact O-N 3.1Å
177	Q	62	Low	52.6	Low	111 Å²	111	103.9 Å²	103.9	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-35.5	176.6	-75.5	176.4	-24.3	0	0	112.2	K173 M174 E180 K181	K173-Q177 WeakPolarHBondContact O-CG 3.42Å; K173-Q177 PolarHBondContact O-N 2.98Å; M174-Q177 PolarHBondContact O-N 3.4Å; Q177-E180 PolarHBondContact O-N 2.66Å; Q177-K181 PolarHBondContact O-N 3.5Å
178	Q	62.6	Low	52.4	Low	103 Å²	103	105.7 Å²	105.7	48%	0.481	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-48.9	175.8	-172.9	65.4	23.2	0	0	111.2	M174 S175 L176 E180 K181 E182	M174-Q178 WeakPolarHBondContact O-CB 3.13Å; M174-Q178 PolarHBondContact O-N 3.05Å; S175-Q178 PolarHBondContact O-N 3.02Å; L176-Q178 VanDerWaalsContact C-N 3.28Å; L176-Q178 PolarHBondContact O-N 2.69Å; Q178-E180 VanDerWaalsContact C-N 3.29Å; Q178-E180 PolarHBondContact O-N 3.07Å; Q178-K181 WeakPolarHBondContact O-CB 3.33Å; Q178-K181 PolarHBondContact O-N 2.89Å; Q178-E182 PolarHBondContact NE2-OE1 3.22Å; Q178-E182 WeakPolarHBondContact O-CG 3.2Å; Q178-E182 PolarHBondContact O-N 3.43Å
179	L	49.6	Very low	52.3	Low	68 Å²	68	108.9 Å²	108.9	36%	0.356	53%	0.526	S	S	.	.	H	α-helix	trans	-59.6	-38.6	174.2	-84.2	155.8	0	0	0	112.5	Q19 S175 L176 E182 Y183	Q19-L179 VanDerWaalsContact NE2-CD1 3.27Å; S175-L179 PolarHBondContact O-N 2.7Å; L176-L179 PolarHBondContact O-N 3.35Å; L179-E182 PolarHBondContact O-N 2.88Å; L179-Y183 WeakPolarHBondContact O-CB 3.44Å; L179-Y183 PolarHBondContact O-N 3.42Å
180	E	49.7	Very low	51.8	Low	112 Å²	112	107.8 Å²	107.8	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-36.4	177.9	-157.9	-175.4	177.1	0	0	111.8	L176 Q177 Q178 K184	L176-E180 WeakPolarHBondContact O-CB 3.39Å; L176-E180 PolarHBondContact O-N 3.1Å; Q177-E180 PolarHBondContact O-N 2.66Å; Q178-E180 VanDerWaalsContact C-N 3.29Å; Q178-E180 PolarHBondContact O-N 3.07Å; E180-K184 WeakPolarHBondContact O-CG 3.34Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 IonicContact OE1-NZ 3.97Å
181	K	66.3	Low	51	Low	141 Å²	141	110.1 Å²	110.1	61%	0.613	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-49.2	170.7	-85.3	-177.5	175.9	179.4	0	111.6	Q177 Q178 Y183 K184 Q185	Q177-K181 PolarHBondContact O-N 3.5Å; Q178-K181 WeakPolarHBondContact O-CB 3.33Å; Q178-K181 PolarHBondContact O-N 2.89Å; K181-Y183 VanDerWaalsContact C-N 3.26Å; K181-Y183 PolarHBondContact O-N 2.91Å; K181-K184 PolarHBondContact O-N 3.45Å; K181-K184 VanDerWaalsContact O-N 3.16Å; K181-Q185 WeakPolarHBondContact O-CB 3.45Å; K181-Q185 PolarHBondContact O-N 2.89Å
182	E	57.8	Low	50.3	Low	100 Å²	100	115.9 Å²	115.9	47%	0.467	57%	0.57	S	S	.	*	H	α-helix	trans	-58	-40.4	178.1	-72.9	168.6	-165.7	0	0	111.5	Q178 L179 Q185 S186	Q178-E182 PolarHBondContact NE2-OE1 3.22Å; Q178-E182 WeakPolarHBondContact O-CG 3.2Å; Q178-E182 PolarHBondContact O-N 3.43Å; L179-E182 PolarHBondContact O-N 2.88Å; E182-Q185 PolarHBondContact O-N 3.4Å; E182-S186 PolarHBondContact O-N 2.79Å
183	Y	45.4	Very low	50.5	Low	96 Å²	96	116.8 Å²	116.8	38%	0.376	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-45.4	174.2	177	-99.4	0	0	0	113.1	L179 K181 Q185 S186 K187	L179-Y183 WeakPolarHBondContact O-CB 3.44Å; L179-Y183 PolarHBondContact O-N 3.42Å; K181-Y183 VanDerWaalsContact C-N 3.26Å; K181-Y183 PolarHBondContact O-N 2.91Å; Y183-Q185 PolarHBondContact O-N 2.96Å; Y183-S186 PolarHBondContact O-N 3.02Å; Y183-S186 PolarHBondContact O-OG 2.87Å; Y183-K187 HydrophobicContact CE1-CD 4.2Å; Y183-K187 PolarHBondContact O-N 3.25Å; Y183-K187 VanDerWaalsContact O-N 3.07Å; Y183-K187 WeakPolarHBondContact OH-CE 3.49Å
184	K	58.1	Low	50.6	Low	127 Å²	127	115.5 Å²	115.5	55%	0.552	58%	0.578	S	S	*	*	H	α-helix	trans	-61.2	-35.8	176.3	-76.1	176.6	-177.5	172.9	0	111.4	E180 K181 F188	E180-K184 WeakPolarHBondContact O-CG 3.34Å; E180-K184 PolarHBondContact O-N 2.8Å; E180-K184 IonicContact OE1-NZ 3.97Å; K181-K184 PolarHBondContact O-N 3.45Å; K181-K184 VanDerWaalsContact O-N 3.16Å; K184-F188 PolarHBondContact O-N 3.07Å
185	Q	55.4	Low	50	Low	135 Å²	135	115.2 Å²	115.2	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-73.7	-39.6	179.6	-156	143	3.5	0	0	112.3	K181 E182 Y183 K187 F188 N189	K181-Q185 WeakPolarHBondContact O-CB 3.45Å; K181-Q185 PolarHBondContact O-N 2.89Å; E182-Q185 PolarHBondContact O-N 3.4Å; Y183-Q185 PolarHBondContact O-N 2.96Å; Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 2.97Å; Q185-F188 PolarHBondContact O-N 2.86Å; Q185-N189 PolarHBondContact O-N 3.49Å; Q185-N189 VanDerWaalsContact O-N 3.15Å
186	S	45	Very low	49.7	Very low	69 Å²	69	119 Å²	119	48%	0.483	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-32.7	174.2	75.8	0	0	0	0	112.6	E182 Y183 N189 C190	E182-S186 PolarHBondContact O-N 2.79Å; Y183-S186 PolarHBondContact O-N 3.02Å; Y183-S186 PolarHBondContact O-OG 2.87Å; S186-N189 PolarHBondContact O-N 2.62Å; S186-C190 PolarHBondContact O-N 3.44Å
187	K	41.9	Very low	49.8	Very low	124 Å²	124	119.3 Å²	119.3	54%	0.539	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-39	172.5	-122.3	-176.4	-178.8	179.1	0	112.4	Y183 Q185 C190	Y183-K187 HydrophobicContact CE1-CD 4.2Å; Y183-K187 PolarHBondContact O-N 3.25Å; Y183-K187 VanDerWaalsContact O-N 3.07Å; Y183-K187 WeakPolarHBondContact OH-CE 3.49Å; Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 2.97Å; K187-C190 PolarHBondContact O-N 3.28Å
188	F	45.9	Very low	49	Very low	167 Å²	167	119.8 Å²	119.8	73%	0.732	59%	0.594	S	S	*	*	H	α-helix	trans	-66.2	-38.4	177	-115.6	-84.4	0	0	0	112.1	K184 Q185 C190 V191	K184-F188 PolarHBondContact O-N 3.07Å; Q185-F188 PolarHBondContact O-N 2.86Å; F188-C190 PolarHBondContact O-N 2.88Å; F188-V191 PolarHBondContact O-N 2.87Å
189	N	48.5	Very low	48	Very low	119 Å²	119	121 Å²	121	64%	0.636	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-11.8	175.9	-70.4	-2.8	0	0	0	113.8	Q185 S186	Q185-N189 PolarHBondContact O-N 3.49Å; Q185-N189 VanDerWaalsContact O-N 3.15Å; S186-N189 PolarHBondContact O-N 2.62Å
190	C	34.7	Very low	47.9	Very low	108 Å²	108	125.1 Å²	125.1	73%	0.73	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	0.7	175.5	-129.3	0	0	0	0	112.8	S186 K187 F188	S186-C190 PolarHBondContact O-N 3.44Å; K187-C190 PolarHBondContact O-N 3.28Å; F188-C190 PolarHBondContact O-N 2.88Å
191	V	37.3	Very low	47.8	Very low	123 Å²	123	126.2 Å²	126.2	75%	0.745	63%	0.63	S	S	*	*			trans	-102.4	1.9	178.2	-178.6	0	0	0	0	111.8	F188	F188-V191 PolarHBondContact O-N 2.87Å
192	I	37	Very low	46.1	Very low	205 Å²	205	124.8 Å²	124.8	100%	1.051	63%	0.631	S	S	*	*			trans	-98.7	0	167.8	-53	178.4	0	0	0	108.2

Retrieved 192 of 192 residues in 313 ms (Link to these results)

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