A0A5K4F4F4_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F4F4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.5	Very low	33.9	Very low	209 Å²	209	92.1 Å²	92.1	100%	1.03	49%	0.486	S	S	*	.				0	-51.3	0	-115.2	-179.5	-97.1	0	0	112.2	T3 F5	M1-T3 PolarHBondContact O-N 3.42Å; M1-F5 PolarHBondContact O-N 3.08Å
2	K	31.6	Very low	34.2	Very low	176 Å²	176	89.7 Å²	89.7	77%	0.765	48%	0.478	S	S	*	.	H	α-helix	trans	-57.3	-39.3	176	-70.6	-175.3	174.5	-175.7	0	114.8	V6	K2-V6 WeakPolarHBondContact O-CG2 3.31Å; K2-V6 PolarHBondContact O-N 3.09Å
3	T	31.1	Very low	34.2	Very low	102 Å²	102	84.5 Å²	84.5	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-70.1	-43.9	-178.5	31.3	0	0	0	0	114.3	M1 F5 Q7	M1-T3 PolarHBondContact O-N 3.42Å; T3-F5 VanDerWaalsContact C-N 3.28Å; T3-F5 PolarHBondContact O-N 3.42Å; T3-Q7 WeakPolarHBondContact O-CG 3.46Å; T3-Q7 PolarHBondContact O-N 2.99Å; T3-Q7 VanDerWaalsContact O-N 3.1Å
4	C	33	Very low	34.1	Very low	87 Å²	87	83.6 Å²	83.6	59%	0.588	44%	0.438	S	S	*	.	H	α-helix	trans	-65.6	-31.9	178.7	-66.8	0	0	0	0	112.9	A8	C4-A8 PolarHBondContact O-N 3.47Å
5	F	32.1	Very low	34.1	Very low	88 Å²	88	82.8 Å²	82.8	39%	0.386	43%	0.433	S	S	.	.	H	α-helix	trans	-79.4	-39.1	-177.1	-166.7	-101.9	0	0	0	112.6	M1 T3 Q7 A8 L9 E44	M1-F5 PolarHBondContact O-N 3.08Å; T3-F5 VanDerWaalsContact C-N 3.28Å; T3-F5 PolarHBondContact O-N 3.42Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; F5-A8 PolarHBondContact O-N 3.47Å; F5-L9 WeakPolarHBondContact O-CB 3.47Å; F5-L9 PolarHBondContact O-N 3.44Å; F5-E44 HydrophobicContact CD1-CG 4.21Å; F5-E44 WeakPolarHBondContact CD1-OE1 3.44Å; F5-E44 HydrophobicContact CE1-CG 4.12Å; F5-E44 WeakPolarHBondContact CE1-OE1 3.2Å
6	V	31.6	Very low	34.3	Very low	29 Å²	29	80.2 Å²	80.2	18%	0.176	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-43.2	170.1	169.7	0	0	0	0	110.4	K2 A8 L9 V10 A39	K2-V6 WeakPolarHBondContact O-CG2 3.31Å; K2-V6 PolarHBondContact O-N 3.09Å; V6-A8 PolarHBondContact O-N 3.23Å; V6-L9 PolarHBondContact O-N 3.12Å; V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.3Å; V6-V10 VanDerWaalsContact O-CG2 3.22Å; V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 2.66Å; V6-A39 HydrophobicContact CG1-CB 3.59Å
7	Q	34.5	Very low	33.9	Very low	127 Å²	127	75.9 Å²	75.9	59%	0.593	40%	0.399	S	S	*	.	H	α-helix	trans	-61.1	-43.3	175.4	-78.9	177.1	-41.2	0	0	112.9	T3 F5 L11	T3-Q7 WeakPolarHBondContact O-CG 3.46Å; T3-Q7 PolarHBondContact O-N 2.99Å; T3-Q7 VanDerWaalsContact O-N 3.1Å; F5-Q7 VanDerWaalsContact C-N 3.32Å; Q7-L11 WeakPolarHBondContact O-CB 3.38Å; Q7-L11 PolarHBondContact O-N 3.05Å
8	A	34.9	Very low	33.6	Very low	53 Å²	53	72.9 Å²	72.9	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-37.6	178.2	0	0	0	0	0	112.8	C4 F5 V6 L11 T12	C4-A8 PolarHBondContact O-N 3.47Å; F5-A8 PolarHBondContact O-N 3.47Å; V6-A8 PolarHBondContact O-N 3.23Å; A8-L11 PolarHBondContact O-N 3.02Å; A8-T12 PolarHBondContact O-N 3.07Å; A8-T12 PolarHBondContact O-OG1 3.3Å
9	L	34.8	Very low	33.6	Very low	35 Å²	35	72.6 Å²	72.6	18%	0.183	38%	0.381	C	S	.	.	H	α-helix	trans	-71.3	-43.3	178.9	-165.2	72.2	0	0	0	111.7	F5 V6 L11 T12 I13 F47	F5-L9 WeakPolarHBondContact O-CB 3.47Å; F5-L9 PolarHBondContact O-N 3.44Å; V6-L9 PolarHBondContact O-N 3.12Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-T12 PolarHBondContact O-N 3.2Å; L9-I13 HydrophobicContact CG-CD1 4.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.05Å; L9-F47 HydrophobicContact CD2-CD1 3.46Å; L9-F47 VanDerWaalsContact CD2-CD1 3.46Å; L9-F47 HydrophobicContact CD2-CE1 3.21Å; L9-F47 HydrophobicContact CD2-CZ 4.23Å; L9-F47 HydrophobicContact CG-CE1 3.96Å
10	V	34.3	Very low	33.7	Very low	7 Å²	7	73.2 Å²	73.2	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-45.2	170.6	171.7	0	0	0	0	109.8	V6 T12 I13 Y14 V36 A39	V6-V10 HydrophobicContact CG1-CG2 4.26Å; V6-V10 WeakPolarHBondContact O-CB 3.3Å; V6-V10 VanDerWaalsContact O-CG2 3.22Å; V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 2.66Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.03Å; V10-I13 PolarHBondContact O-N 3.34Å; V10-Y14 WeakPolarHBondContact O-CB 3.08Å; V10-Y14 PolarHBondContact O-N 2.76Å; V10-V36 HydrophobicContact CB-CG2 4.36Å; V10-V36 HydrophobicContact CG1-CG2 3.5Å; V10-V36 HydrophobicContact CG2-CG2 4.12Å; V10-A39 HydrophobicContact CG2-CB 4.13Å
11	L	34.6	Very low	33.4	Very low	100 Å²	100	70.5 Å²	70.5	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-59.8	-37.5	176.6	-124.2	91.9	0	0	0	112.2	Q7 A8 L9 Y14 I15	Q7-L11 WeakPolarHBondContact O-CB 3.38Å; Q7-L11 PolarHBondContact O-N 3.05Å; A8-L11 PolarHBondContact O-N 3.02Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L11-Y14 WeakPolarHBondContact O-CB 3.28Å; L11-Y14 PolarHBondContact O-N 3.06Å; L11-I15 WeakPolarHBondContact O-CB 3.08Å; L11-I15 WeakPolarHBondContact O-CD1 3.35Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.08Å
12	T	37	Very low	33	Very low	63 Å²	63	66.4 Å²	66.4	39%	0.387	35%	0.351	S	S	.	.	H	α-helix	trans	-71.1	-42.1	-179.7	-50.7	0	0	0	0	110.9	A8 L9 V10 Y14 I15 L16	A8-T12 PolarHBondContact O-N 3.07Å; A8-T12 PolarHBondContact O-OG1 3.3Å; L9-T12 PolarHBondContact O-N 3.2Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.03Å; T12-Y14 VanDerWaalsContact C-N 3.31Å; T12-I15 PolarHBondContact O-N 3.17Å; T12-L16 HydrophobicContact CG2-CD1 4.22Å; T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 WeakPolarHBondContact O-CD1 3.35Å; T12-L16 WeakPolarHBondContact O-CG 3.47Å; T12-L16 PolarHBondContact O-N 3.47Å
13	I	34.8	Very low	33.2	Very low	22 Å²	22	64.6 Å²	64.6	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-35.7	174	-62.5	167.1	0	0	0	110.5	L9 V10 L16 G17 L35 F47 I51	L9-I13 HydrophobicContact CG-CD1 4.45Å; L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.05Å; V10-I13 PolarHBondContact O-N 3.34Å; I13-L16 PolarHBondContact O-N 3Å; I13-G17 PolarHBondContact O-N 3.32Å; I13-L35 HydrophobicContact CB-CD1 4.39Å; I13-L35 HydrophobicContact CG2-CD1 3.57Å; I13-L35 HydrophobicContact CG2-CD2 4.08Å; I13-L35 HydrophobicContact CG2-CG 4.48Å; I13-F47 HydrophobicContact CD1-CE1 3.82Å; I13-F47 HydrophobicContact CD1-CZ 3.58Å; I13-I51 HydrophobicContact CD1-CD1 3.95Å
14	Y	32.5	Very low	33.2	Very low	73 Å²	73	62.2 Å²	62.2	29%	0.286	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-47.3	174.2	-179.2	-91.1	0	0	0	111.6	V10 L11 T12 L16 G17 V18 E32	V10-Y14 WeakPolarHBondContact O-CB 3.08Å; V10-Y14 PolarHBondContact O-N 2.76Å; L11-Y14 WeakPolarHBondContact O-CB 3.28Å; L11-Y14 PolarHBondContact O-N 3.06Å; T12-Y14 VanDerWaalsContact C-N 3.31Å; Y14-L16 VanDerWaalsContact C-N 3.28Å; Y14-L16 PolarHBondContact O-N 3.14Å; Y14-G17 PolarHBondContact O-N 2.99Å; Y14-V18 HydrophobicContact CD1-CB 4.36Å; Y14-V18 HydrophobicContact CD1-CG2 4.11Å; Y14-V18 HydrophobicContact CD2-CB 4.45Å; Y14-V18 HydrophobicContact CD2-CG2 3.39Å; Y14-V18 HydrophobicContact CE1-CB 4.22Å; Y14-V18 HydrophobicContact CE1-CG1 4.28Å; Y14-V18 HydrophobicContact CE1-CG2 4.08Å; Y14-V18 HydrophobicContact CE2-CB 4.34Å; Y14-V18 HydrophobicContact CE2-CG2 3.37Å; Y14-V18 HydrophobicContact CG-CB 4.47Å; Y14-V18 HydrophobicContact CG-CG2 3.78Å; Y14-V18 WeakPolarHBondContact O-CA 3.26Å; Y14-V18 WeakPolarHBondContact O-CB 3.47Å; Y14-V18 WeakPolarHBondContact O-CG2 3.5Å; Y14-V18 PolarHBondContact O-N 2.97Å; Y14-E32 HydrophobicContact CD2-CB 3.97Å; Y14-E32 HydrophobicContact CD2-CG 3.72Å; Y14-E32 HydrophobicContact CE2-CB 3.97Å; Y14-E32 HydrophobicContact CE2-CG 3.84Å; Y14-E32 WeakPolarHBondContact CE2-OE2 3.42Å
15	I	34.9	Very low	33.3	Very low	71 Å²	71	65.1 Å²	65.1	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-41.6	174.7	-69.2	162.9	0	0	0	110	L11 T12 Q19	L11-I15 WeakPolarHBondContact O-CB 3.08Å; L11-I15 WeakPolarHBondContact O-CD1 3.35Å; L11-I15 WeakPolarHBondContact O-CG1 3.41Å; L11-I15 PolarHBondContact O-N 3.08Å; T12-I15 PolarHBondContact O-N 3.17Å; I15-Q19 WeakPolarHBondContact O-CB 3.35Å; I15-Q19 PolarHBondContact O-OE1 3.46Å
16	L	36	Very low	33.6	Very low	41 Å²	41	67.8 Å²	67.8	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-33.8	177.8	-75.6	170	0	0	0	114.4	T12 I13 Y14 V268	T12-L16 HydrophobicContact CG2-CD1 4.22Å; T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 WeakPolarHBondContact O-CD1 3.35Å; T12-L16 WeakPolarHBondContact O-CG 3.47Å; T12-L16 PolarHBondContact O-N 3.47Å; I13-L16 PolarHBondContact O-N 3Å; Y14-L16 VanDerWaalsContact C-N 3.28Å; Y14-L16 PolarHBondContact O-N 3.14Å; L16-V268 HydrophobicContact CD2-CG2 3.3Å; L16-V268 HydrophobicContact CG-CG2 4.34Å
17	G	28.4	Very low	34.2	Very low	7 Å²	7	69.3 Å²	69.3	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-95.2	-38.6	-175.5	0	0	0	0	0	114.3	I13 Y14 Y20	I13-G17 PolarHBondContact O-N 3.32Å; Y14-G17 PolarHBondContact O-N 2.99Å; G17-Y20 PolarHBondContact O-N 3.33Å
18	V	29.1	Very low	35	Very low	22 Å²	22	64.7 Å²	64.7	13%	0.133	37%	0.365	C	S	.	.	H	α-helix	trans	-76.4	-30	-174.3	173.4	0	0	0	0	112.5	Y14 Y20 L21 V22	Y14-V18 HydrophobicContact CD1-CB 4.36Å; Y14-V18 HydrophobicContact CD1-CG2 4.11Å; Y14-V18 HydrophobicContact CD2-CB 4.45Å; Y14-V18 HydrophobicContact CD2-CG2 3.39Å; Y14-V18 HydrophobicContact CE1-CB 4.22Å; Y14-V18 HydrophobicContact CE1-CG1 4.28Å; Y14-V18 HydrophobicContact CE1-CG2 4.08Å; Y14-V18 HydrophobicContact CE2-CB 4.34Å; Y14-V18 HydrophobicContact CE2-CG2 3.37Å; Y14-V18 HydrophobicContact CG-CB 4.47Å; Y14-V18 HydrophobicContact CG-CG2 3.78Å; Y14-V18 WeakPolarHBondContact O-CA 3.26Å; Y14-V18 WeakPolarHBondContact O-CB 3.47Å; Y14-V18 WeakPolarHBondContact O-CG2 3.5Å; Y14-V18 PolarHBondContact O-N 2.97Å; V18-Y20 PolarHBondContact O-N 3.39Å; V18-L21 CarbonylContact O-C 3.57Å; V18-L21 WeakPolarHBondContact O-CA 3.39Å; V18-L21 PolarHBondContact O-N 3.35Å; V18-V22 HydrophobicContact CG1-CG2 4.49Å; V18-V22 WeakPolarHBondContact O-CG2 3.38Å; V18-V22 PolarHBondContact O-N 3Å; V18-V22 VanDerWaalsContact O-N 3.12Å
19	Q	33.2	Very low	35.6	Very low	68 Å²	68	67.3 Å²	67.3	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-9.7	178.7	-137.5	164.2	2	0	0	111.9	I15 Q264	I15-Q19 WeakPolarHBondContact O-CB 3.35Å; I15-Q19 PolarHBondContact O-OE1 3.46Å; Q19-Q264 HydrophobicContact CB-CG 3.83Å; Q19-Q264 HydrophobicContact CG-CG 3.79Å; Q19-Q264 PolarHBondContact O-NE2 3.28Å
20	Y	35.5	Very low	36.4	Very low	84 Å²	84	71.7 Å²	71.7	33%	0.329	39%	0.39	S	S	.	.	H	α-helix	trans	-96.8	-18.5	165.8	-144	-97.2	0	0	0	114.3	G17 V18 I109 A113 L261	G17-Y20 PolarHBondContact O-N 3.33Å; V18-Y20 PolarHBondContact O-N 3.39Å; Y20-I109 HydrophobicContact CD1-CG2 3.44Å; Y20-I109 VanDerWaalsContact CD1-CG2 3.44Å; Y20-I109 HydrophobicContact CE1-CG2 4.17Å; Y20-I109 HydrophobicContact CG-CG2 3.93Å; Y20-A113 HydrophobicContact CD2-CB 3.58Å; Y20-A113 HydrophobicContact CE1-CB 4.07Å; Y20-A113 HydrophobicContact CE2-CB 3.03Å; Y20-A113 HydrophobicContact CG-CB 4.3Å; Y20-A113 WeakPolarHBondContact OH-CA 3.08Å; Y20-L261 HydrophobicContact CD2-CD2 4.45Å; Y20-L261 HydrophobicContact CE2-CD2 4.36Å
21	L	27.7	Very low	37.1	Very low	17 Å²	17	72.2 Å²	72.2	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-91.8	-6.1	179.3	-95.2	147.4	0	0	0	113.9	V18 T23 A24 T27	V18-L21 CarbonylContact O-C 3.57Å; V18-L21 WeakPolarHBondContact O-CA 3.39Å; V18-L21 PolarHBondContact O-N 3.35Å; L21-T23 PolarHBondContact O-N 3.48Å; L21-A24 HydrophobicContact CD2-CB 4.09Å; L21-A24 PolarHBondContact O-N 3.5Å; L21-A24 VanDerWaalsContact O-O 3.09Å; L21-T27 WeakPolarHBondContact CD2-OG1 3.35Å
22	V	30.8	Very low	37.7	Very low	122 Å²	122	70.5 Å²	70.5	74%	0.739	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.9	174.4	175.9	0	0	0	0	112.7	V18	V18-V22 HydrophobicContact CG1-CG2 4.49Å; V18-V22 WeakPolarHBondContact O-CG2 3.38Å; V18-V22 PolarHBondContact O-N 3Å; V18-V22 VanDerWaalsContact O-N 3.12Å
23	T	35.5	Very low	38.5	Very low	139 Å²	139	73.5 Å²	73.5	85%	0.853	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	6.9	166.5	50.8	0	0	0	0	115.6	L21	L21-T23 PolarHBondContact O-N 3.48Å
24	A	31.2	Very low	39.3	Very low	51 Å²	51	74.1 Å²	74.1	42%	0.421	39%	0.394	S	S	.	.	S	Bend	trans	-135	115.4	177.4	0	0	0	0	0	112.8	L21 T27	L21-A24 HydrophobicContact CD2-CB 4.09Å; L21-A24 PolarHBondContact O-N 3.5Å; L21-A24 VanDerWaalsContact O-O 3.09Å; A24-T27 PolarHBondContact O-OG1 2.83Å
25	D	36.5	Very low	40.3	Very low	149 Å²	149	70.8 Å²	70.8	80%	0.797	38%	0.381	S	S	*	.	S	Bend	trans	-36.5	142.8	175.7	-72	-41.7	0	0	0	115.9	T27	D25-T27 PolarHBondContact O-N 3.02Å; D25-T27 PolarHBondContact O-OG1 2.99Å
26	N	38	Very low	41.2	Very low	144 Å²	144	70.1 Å²	70.1	77%	0.77	38%	0.38	S	S	*	.	S	Bend	trans	47.5	-14.4	163.7	-74.8	-11.2	0	0	0	119.8
27	T	44.3	Very low	42	Very low	61 Å²	61	71.4 Å²	71.4	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-78.7	-21.4	-174.4	27.3	0	0	0	0	112.1	L21 A24 D25 L29 L31	L21-T27 WeakPolarHBondContact CD2-OG1 3.35Å; A24-T27 PolarHBondContact O-OG1 2.83Å; D25-T27 PolarHBondContact O-N 3.02Å; D25-T27 PolarHBondContact O-OG1 2.99Å; T27-L29 PolarHBondContact O-N 3.31Å; T27-L31 VanDerWaalsContact O-CB 3.22Å; T27-L31 WeakPolarHBondContact O-CB 3.46Å; T27-L31 PolarHBondContact O-N 2.94Å
28	S	50.4	Low	43.2	Very low	30 Å²	30	71.2 Å²	71.2	21%	0.21	38%	0.384	C	S	.	.	H	α-helix	trans	-68	-33.1	179.4	78.1	0	0	0	0	113.7	E32	S28-E32 PolarHBondContact O-N 3.25Å
29	L	48.8	Very low	44.4	Very low	107 Å²	107	70.5 Å²	70.5	56%	0.56	38%	0.38	S	S	*	.	H	α-helix	trans	-83.2	-42.4	-173.1	-140.6	126.3	0	0	0	111.6	T27 L31 E32 E33	T27-L29 PolarHBondContact O-N 3.31Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.93Å; L29-E32 PolarHBondContact O-N 3.49Å; L29-E33 PolarHBondContact O-N 2.95Å
30	E	50.2	Low	45.5	Very low	128 Å²	128	71.2 Å²	71.2	60%	0.598	39%	0.389	S	S	*	.	H	α-helix	trans	-59.2	-41.1	172	-70.6	179.1	168.9	0	0	110.9	E32 E33 E34	E30-E32 PolarHBondContact O-N 3.07Å; E30-E33 PolarHBondContact O-N 2.72Å; E30-E34 WeakPolarHBondContact O-CG 2.93Å; E30-E34 PolarHBondContact O-N 2.88Å; E30-E34 VanDerWaalsContact O-N 3.14Å
31	L	49.2	Very low	46.7	Very low	17 Å²	17	72.1 Å²	72.1	9%	0.089	40%	0.4	C	S	.	.	H	α-helix	trans	-69.5	-32.4	-179.9	-159.1	137.4	0	0	0	112.5	T27 L29 L35 F105 A106	T27-L31 VanDerWaalsContact O-CB 3.22Å; T27-L31 WeakPolarHBondContact O-CB 3.46Å; T27-L31 PolarHBondContact O-N 2.94Å; L29-L31 VanDerWaalsContact C-N 3.27Å; L29-L31 PolarHBondContact O-N 2.93Å; L31-L35 HydrophobicContact CD2-CD1 3.63Å; L31-L35 HydrophobicContact CD2-CG 4.07Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 VanDerWaalsContact O-CG 3.23Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 3.04Å; L31-F105 HydrophobicContact CD1-CD1 3.62Å; L31-F105 HydrophobicContact CD1-CE1 4.14Å; L31-A106 HydrophobicContact CD2-CB 4.05Å
32	E	48.7	Very low	48.2	Very low	64 Å²	64	72.4 Å²	72.4	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-48.7	174	-174.3	-179.7	-179.7	0	0	111.8	Y14 S28 L29 E30 E34 L35 V36	Y14-E32 HydrophobicContact CD2-CB 3.97Å; Y14-E32 HydrophobicContact CD2-CG 3.72Å; Y14-E32 HydrophobicContact CE2-CB 3.97Å; Y14-E32 HydrophobicContact CE2-CG 3.84Å; Y14-E32 WeakPolarHBondContact CE2-OE2 3.42Å; S28-E32 PolarHBondContact O-N 3.25Å; L29-E32 PolarHBondContact O-N 3.49Å; E30-E32 PolarHBondContact O-N 3.07Å; E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.14Å; E32-L35 PolarHBondContact O-N 3.41Å; E32-V36 WeakPolarHBondContact O-CG2 3.42Å; E32-V36 PolarHBondContact O-N 3.15Å; E32-V36 VanDerWaalsContact O-N 3.08Å
33	E	52.5	Low	49.9	Very low	126 Å²	126	70.4 Å²	70.4	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-60.5	-40.6	178.4	-69.1	-173	167.9	0	0	111.2	L29 E30 L37	L29-E33 PolarHBondContact O-N 2.95Å; E30-E33 PolarHBondContact O-N 2.72Å; E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 WeakPolarHBondContact O-CD1 3.38Å; E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 3.03Å
34	E	52.4	Low	50.9	Low	36 Å²	36	67.6 Å²	67.6	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-68.7	-40	178.8	-71.5	179.4	170.2	0	0	113.2	E30 E32 L37 Y38 Y98 Y99 S102	E30-E34 WeakPolarHBondContact O-CG 2.93Å; E30-E34 PolarHBondContact O-N 2.88Å; E30-E34 VanDerWaalsContact O-N 3.14Å; E32-E34 VanDerWaalsContact C-N 3.28Å; E32-E34 PolarHBondContact O-N 3.14Å; E34-L37 PolarHBondContact O-N 3.33Å; E34-Y38 PolarHBondContact O-N 3.38Å; E34-Y98 HydrophobicContact CG-CE1 4.27Å; E34-Y98 WeakPolarHBondContact OE1-CE1 3.47Å; E34-Y98 VanDerWaalsContact OE1-CZ 3.27Å; E34-Y98 PolarHBondContact OE1-OH 2.99Å; E34-Y99 HydrophobicContact CB-CD1 4.48Å; E34-S102 VanDerWaalsContact OE2-CB 3.28Å; E34-S102 WeakPolarHBondContact OE2-CB 3.33Å; E34-S102 PolarHBondContact OE2-OG 3.06Å
35	L	52.5	Low	52.4	Low	3 Å²	3	72.3 Å²	72.3	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-41.8	175.5	-75	174.5	0	0	0	112.2	I13 L31 E32 L37 Y38 A39 V103	I13-L35 HydrophobicContact CB-CD1 4.39Å; I13-L35 HydrophobicContact CG2-CD1 3.57Å; I13-L35 HydrophobicContact CG2-CD2 4.08Å; I13-L35 HydrophobicContact CG2-CG 4.48Å; L31-L35 HydrophobicContact CD2-CD1 3.63Å; L31-L35 HydrophobicContact CD2-CG 4.07Å; L31-L35 WeakPolarHBondContact O-CB 3.41Å; L31-L35 VanDerWaalsContact O-CG 3.23Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 3.04Å; E32-L35 PolarHBondContact O-N 3.41Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-Y38 PolarHBondContact O-N 3.18Å; L35-A39 PolarHBondContact O-N 2.9Å; L35-A39 VanDerWaalsContact O-N 3.13Å; L35-V103 HydrophobicContact CD2-CB 4.19Å; L35-V103 HydrophobicContact CD2-CG2 3.46Å; L35-V103 VanDerWaalsContact CD2-CG2 3.46Å
36	V	53.5	Low	53.6	Low	56 Å²	56	70.3 Å²	70.3	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-46.9	174.1	173.6	0	0	0	0	109.9	V10 E32 Y38 A39 T40	V10-V36 HydrophobicContact CB-CG2 4.36Å; V10-V36 HydrophobicContact CG1-CG2 3.5Å; V10-V36 HydrophobicContact CG2-CG2 4.12Å; E32-V36 WeakPolarHBondContact O-CG2 3.42Å; E32-V36 PolarHBondContact O-N 3.15Å; E32-V36 VanDerWaalsContact O-N 3.08Å; V36-Y38 PolarHBondContact O-N 3.48Å; V36-A39 PolarHBondContact O-N 2.96Å; V36-T40 HydrophobicContact CG1-CG2 4.4Å; V36-T40 WeakPolarHBondContact O-CG2 3.44Å; V36-T40 PolarHBondContact O-N 2.98Å; V36-T40 PolarHBondContact O-OG1 3.24Å
37	L	53.1	Low	54.8	Low	68 Å²	68	63.6 Å²	63.6	36%	0.356	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-45.5	179.9	-74.4	163.9	0	0	0	111.5	E33 E34 L35 A39 T40 N41 Y99	E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 WeakPolarHBondContact O-CD1 3.38Å; E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 3.03Å; E34-L37 PolarHBondContact O-N 3.33Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 2.88Å; L37-T40 WeakPolarHBondContact CA-OG1 3.47Å; L37-T40 PolarHBondContact O-N 2.9Å; L37-T40 PolarHBondContact O-OG1 3.34Å; L37-N41 WeakPolarHBondContact O-CB 2.85Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 PolarHBondContact O-ND2 3.42Å; L37-Y99 HydrophobicContact CB-CD1 3.71Å; L37-Y99 HydrophobicContact CB-CE1 3.32Å; L37-Y99 HydrophobicContact CB-CG 4.48Å; L37-Y99 HydrophobicContact CD1-CE1 3.61Å; L37-Y99 HydrophobicContact CG-CE1 4.05Å
38	Y	53.6	Low	55.5	Low	4 Å²	4	65 Å²	65	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-48.1	176.3	-168.6	-129	0	0	0	112.4	E34 L35 V36 T40 N41 T42 F47 Y99 V103	E34-Y38 PolarHBondContact O-N 3.38Å; L35-Y38 PolarHBondContact O-N 3.18Å; V36-Y38 PolarHBondContact O-N 3.48Å; Y38-T40 VanDerWaalsContact C-N 3.27Å; Y38-T40 PolarHBondContact O-N 3.43Å; Y38-N41 PolarHBondContact O-N 3.11Å; Y38-T42 VanDerWaalsContact CE2-OG1 3.31Å; Y38-T42 WeakPolarHBondContact CE2-OG1 3.43Å; Y38-T42 WeakPolarHBondContact O-CB 3.36Å; Y38-T42 PolarHBondContact O-N 2.81Å; Y38-T42 VanDerWaalsContact O-N 3.08Å; Y38-T42 PolarHBondContact O-OG1 2.95Å; Y38-F47 AromaticContact CD1-CD2 3.23Å; Y38-F47 HydrophobicContact CD1-CD2 3.23Å; Y38-F47 AromaticContact CD1-CE2 3.28Å; Y38-F47 HydrophobicContact CD1-CE2 3.28Å; Y38-F47 HydrophobicContact CD1-CG 4.44Å; Y38-F47 HydrophobicContact CD1-CZ 4.46Å; Y38-F47 AromaticContact CE1-CD2 3.45Å; Y38-F47 HydrophobicContact CE1-CD2 3.45Å; Y38-F47 VanDerWaalsContact CE1-CD2 3.45Å; Y38-F47 AromaticContact CE1-CE2 3.88Å; Y38-F47 HydrophobicContact CE1-CE2 3.88Å; Y38-F47 HydrophobicContact CE1-CG 4.32Å; Y38-F47 HydrophobicContact CG-CD2 4.17Å; Y38-F47 HydrophobicContact CG-CE2 4.21Å; Y38-Y99 VanDerWaalsContact CD2-CB 3.48Å; Y38-V103 HydrophobicContact CD1-CG2 3.43Å; Y38-V103 VanDerWaalsContact CD1-CG2 3.43Å; Y38-V103 HydrophobicContact CE1-CG2 4.03Å; Y38-V103 HydrophobicContact CG-CG2 4.08Å
39	A	54.9	Low	56.3	Low	6 Å²	6	66.7 Å²	66.7	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-29.4	-178.1	0	0	0	0	0	112.6	V6 V10 L35 V36 L37 F47	V6-A39 HydrophobicContact CG1-CB 3.59Å; V10-A39 HydrophobicContact CG2-CB 4.13Å; L35-A39 PolarHBondContact O-N 2.9Å; L35-A39 VanDerWaalsContact O-N 3.13Å; V36-A39 PolarHBondContact O-N 2.96Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 2.88Å; A39-F47 HydrophobicContact CB-CD2 3.93Å; A39-F47 HydrophobicContact CB-CE2 3.65Å; A39-F47 HydrophobicContact CB-CZ 4.23Å
40	T	55.5	Low	57.3	Low	84 Å²	84	61.9 Å²	61.9	52%	0.515	31%	0.31	S	S	.	.	H	α-helix	trans	-79.9	-32	175.8	58.8	0	0	0	0	113.8	V36 L37 Y38	V36-T40 HydrophobicContact CG1-CG2 4.4Å; V36-T40 WeakPolarHBondContact O-CG2 3.44Å; V36-T40 PolarHBondContact O-N 2.98Å; V36-T40 PolarHBondContact O-OG1 3.24Å; L37-T40 WeakPolarHBondContact CA-OG1 3.47Å; L37-T40 PolarHBondContact O-N 2.9Å; L37-T40 PolarHBondContact O-OG1 3.34Å; Y38-T40 VanDerWaalsContact C-N 3.27Å; Y38-T40 PolarHBondContact O-N 3.43Å
41	N	60.8	Low	58.1	Low	103 Å²	103	57.1 Å²	57.1	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-84.5	-19	-178.7	-72.5	-27.4	0	0	0	113.6	L37 Y38 Y99	L37-N41 WeakPolarHBondContact O-CB 2.85Å; L37-N41 PolarHBondContact O-N 2.97Å; L37-N41 PolarHBondContact O-ND2 3.42Å; Y38-N41 PolarHBondContact O-N 3.11Å; N41-Y99 WeakPolarHBondContact ND2-CE2 3.37Å
42	T	60.3	Low	59.1	Low	23 Å²	23	60.8 Å²	60.8	14%	0.141	31%	0.307	C	S	.	.	S	Bend	trans	-105.3	150.5	-177.3	-52.8	0	0	0	0	111.3	Y38 Q46 F47	Y38-T42 VanDerWaalsContact CE2-OG1 3.31Å; Y38-T42 WeakPolarHBondContact CE2-OG1 3.43Å; Y38-T42 WeakPolarHBondContact O-CB 3.36Å; Y38-T42 PolarHBondContact O-N 2.81Å; Y38-T42 VanDerWaalsContact O-N 3.08Å; Y38-T42 PolarHBondContact O-OG1 2.95Å; T42-Q46 HydrophobicContact CG2-CB 3.43Å; T42-Q46 VanDerWaalsContact CG2-CB 3.43Å; T42-F47 HydrophobicContact CG2-CB 4.2Å
43	T	65.4	Low	60.5	Low	79 Å²	79	63.4 Å²	63.4	49%	0.485	31%	0.314	S	S	.	.			trans	-66.5	142.8	169.8	68	0	0	0	0	109.7	K45 Q46 F47	T43-K45 PolarHBondContact O-N 2.87Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.36Å; T43-Q46 VanDerWaalsContact OG1-CD 3.23Å; T43-Q46 VanDerWaalsContact OG1-CG 3.23Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.27Å; T43-Q46 PolarHBondContact OG1-N 3.21Å; T43-Q46 PolarHBondContact OG1-OE1 2.88Å; T43-F47 PolarHBondContact O-N 3.3Å
44	E	56.8	Low	61.7	Low	81 Å²	81	57.4 Å²	57.4	38%	0.379	29%	0.286	S	S	.	.	H	α-helix	trans	-49.8	-40.2	-179.2	-172.8	-168.3	142.2	0	0	113.1	F5 R48	F5-E44 HydrophobicContact CD1-CG 4.21Å; F5-E44 WeakPolarHBondContact CD1-OE1 3.44Å; F5-E44 HydrophobicContact CE1-CG 4.12Å; F5-E44 WeakPolarHBondContact CE1-OE1 3.2Å; E44-R48 WeakPolarHBondContact O-CB 3.29Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.47Å; E44-R48 PolarHBondContact O-N 3.2Å; E44-R48 IonicContact OE1-NE 3.03Å
45	K	62.6	Low	63	Low	150 Å²	150	57.5 Å²	57.5	65%	0.652	29%	0.286	S	S	*	.	H	α-helix	trans	-64.4	-48.7	176.4	-174.9	-178.8	176.4	-175.5	0	111.9	T43 F47 R48 D49	T43-K45 PolarHBondContact O-N 2.87Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 2.81Å; K45-R48 PolarHBondContact O-N 3.5Å; K45-D49 WeakPolarHBondContact O-CB 3.43Å; K45-D49 PolarHBondContact O-N 3.32Å
46	Q	62.9	Low	64.2	Low	106 Å²	106	60.7 Å²	60.7	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-40	178.9	-75.4	168.8	-47.7	0	0	112	T42 T43 D49 G50	T42-Q46 HydrophobicContact CG2-CB 3.43Å; T42-Q46 VanDerWaalsContact CG2-CB 3.43Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.36Å; T43-Q46 VanDerWaalsContact OG1-CD 3.23Å; T43-Q46 VanDerWaalsContact OG1-CG 3.23Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.27Å; T43-Q46 PolarHBondContact OG1-N 3.21Å; T43-Q46 PolarHBondContact OG1-OE1 2.88Å; Q46-D49 PolarHBondContact O-N 2.89Å; Q46-G50 PolarHBondContact O-N 3.49Å
47	F	61.9	Low	65.7	Low	4 Å²	4	59.3 Å²	59.3	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-50.2	174.6	179.9	-82.7	0	0	0	110.4	L9 I13 Y38 A39 T42 T43 K45 D49 G50 I51	L9-F47 HydrophobicContact CD2-CD1 3.46Å; L9-F47 VanDerWaalsContact CD2-CD1 3.46Å; L9-F47 HydrophobicContact CD2-CE1 3.21Å; L9-F47 HydrophobicContact CD2-CZ 4.23Å; L9-F47 HydrophobicContact CG-CE1 3.96Å; I13-F47 HydrophobicContact CD1-CE1 3.82Å; I13-F47 HydrophobicContact CD1-CZ 3.58Å; Y38-F47 AromaticContact CD1-CD2 3.23Å; Y38-F47 HydrophobicContact CD1-CD2 3.23Å; Y38-F47 AromaticContact CD1-CE2 3.28Å; Y38-F47 HydrophobicContact CD1-CE2 3.28Å; Y38-F47 HydrophobicContact CD1-CG 4.44Å; Y38-F47 HydrophobicContact CD1-CZ 4.46Å; Y38-F47 AromaticContact CE1-CD2 3.45Å; Y38-F47 HydrophobicContact CE1-CD2 3.45Å; Y38-F47 VanDerWaalsContact CE1-CD2 3.45Å; Y38-F47 AromaticContact CE1-CE2 3.88Å; Y38-F47 HydrophobicContact CE1-CE2 3.88Å; Y38-F47 HydrophobicContact CE1-CG 4.32Å; Y38-F47 HydrophobicContact CG-CD2 4.17Å; Y38-F47 HydrophobicContact CG-CE2 4.21Å; A39-F47 HydrophobicContact CB-CD2 3.93Å; A39-F47 HydrophobicContact CB-CE2 3.65Å; A39-F47 HydrophobicContact CB-CZ 4.23Å; T42-F47 HydrophobicContact CG2-CB 4.2Å; T43-F47 PolarHBondContact O-N 3.3Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 2.81Å; F47-D49 PolarHBondContact O-N 2.91Å; F47-G50 PolarHBondContact O-N 3.09Å; F47-I51 HydrophobicContact CD1-CG1 3.96Å; F47-I51 HydrophobicContact CE1-CD1 4.06Å; F47-I51 HydrophobicContact CE1-CG1 3.61Å; F47-I51 HydrophobicContact CZ-CD1 4.11Å; F47-I51 HydrophobicContact CZ-CG1 4.14Å; F47-I51 VanDerWaalsContact O-CG1 3.3Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.28Å
48	R	59.7	Low	67.3	Low	89 Å²	89	56.4 Å²	56.4	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-60.2	-47.3	178	-75.4	177.8	169.7	-69.1	-15.5	112.5	E44 K45 G50 I51 I52	E44-R48 WeakPolarHBondContact O-CB 3.29Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.47Å; E44-R48 PolarHBondContact O-N 3.2Å; E44-R48 IonicContact OE1-NE 3.03Å; K45-R48 PolarHBondContact O-N 3.5Å; R48-G50 VanDerWaalsContact C-N 3.27Å; R48-G50 PolarHBondContact O-N 2.88Å; R48-I51 PolarHBondContact O-N 3.49Å; R48-I52 VanDerWaalsContact O-CG1 3.31Å; R48-I52 WeakPolarHBondContact O-CG1 3.45Å; R48-I52 PolarHBondContact O-N 2.97Å
49	D	67.1	Low	68.5	Low	67 Å²	67	57.2 Å²	57.2	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-37.2	178.8	-68.1	-12.6	0	0	0	110.9	K45 Q46 F47 R53	K45-D49 WeakPolarHBondContact O-CB 3.43Å; K45-D49 PolarHBondContact O-N 3.32Å; Q46-D49 PolarHBondContact O-N 2.89Å; F47-D49 PolarHBondContact O-N 2.91Å; D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.29Å; D49-R53 PolarHBondContact O-N 3.09Å; D49-R53 VanDerWaalsContact O-N 3.12Å
50	G	69.1	Low	69.7	Low	5 Å²	5	57.6 Å²	57.6	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-48	174.5	0	0	0	0	0	112.9	Q46 F47 R48 I52 R53 L54	Q46-G50 PolarHBondContact O-N 3.49Å; F47-G50 PolarHBondContact O-N 3.09Å; R48-G50 VanDerWaalsContact C-N 3.27Å; R48-G50 PolarHBondContact O-N 2.88Å; G50-I52 PolarHBondContact O-N 3.42Å; G50-R53 PolarHBondContact O-N 2.84Å; G50-L54 PolarHBondContact O-N 3.38Å
51	I	68.3	Low	71.3	Confident	29 Å²	29	55.6 Å²	55.6	15%	0.149	27%	0.272	C	S	.	.	H	α-helix	trans	-57.6	-47.8	175.4	-64.9	-71.8	0	0	0	110.8	I13 F47 R48 R53 L54 E55 V103 I107	I13-I51 HydrophobicContact CD1-CD1 3.95Å; F47-I51 HydrophobicContact CD1-CG1 3.96Å; F47-I51 HydrophobicContact CE1-CD1 4.06Å; F47-I51 HydrophobicContact CE1-CG1 3.61Å; F47-I51 HydrophobicContact CZ-CD1 4.11Å; F47-I51 HydrophobicContact CZ-CG1 4.14Å; F47-I51 VanDerWaalsContact O-CG1 3.3Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.28Å; R48-I51 PolarHBondContact O-N 3.49Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.26Å; I51-L54 PolarHBondContact O-N 3.35Å; I51-E55 HydrophobicContact CG2-CG 4.11Å; I51-E55 WeakPolarHBondContact O-CB 3.46Å; I51-E55 VanDerWaalsContact O-CG 3.27Å; I51-E55 WeakPolarHBondContact O-CG 3.43Å; I51-E55 PolarHBondContact O-N 2.95Å; I51-V103 HydrophobicContact CD1-CG1 3.18Å; I51-V103 HydrophobicContact CG1-CG1 4.46Å; I51-I107 HydrophobicContact CD1-CD1 3.92Å; I51-I107 HydrophobicContact CG2-CD1 4.28Å
52	I	70.1	Confident	72.5	Confident	93 Å²	93	53 Å²	53	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-59.7	-42.8	-179.9	-69.9	165.6	0	0	0	110.8	R48 G50 E55 N56	R48-I52 VanDerWaalsContact O-CG1 3.31Å; R48-I52 WeakPolarHBondContact O-CG1 3.45Å; R48-I52 PolarHBondContact O-N 2.97Å; G50-I52 PolarHBondContact O-N 3.42Å; I52-E55 PolarHBondContact O-N 3.45Å; I52-N56 WeakPolarHBondContact O-CB 3.48Å; I52-N56 VanDerWaalsContact O-CG 3.23Å; I52-N56 PolarHBondContact O-N 2.95Å; I52-N56 PolarHBondContact O-OD1 3.34Å
53	R	77.2	Confident	73.4	Confident	119 Å²	119	54.4 Å²	54.4	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177.9	-71.8	170.5	-174.2	-116.2	0.9	112.3	D49 G50 I51 N56 K57 M91	D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.29Å; D49-R53 PolarHBondContact O-N 3.09Å; D49-R53 VanDerWaalsContact O-N 3.12Å; G50-R53 PolarHBondContact O-N 2.84Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.26Å; R53-N56 PolarHBondContact O-N 2.86Å; R53-K57 WeakPolarHBondContact O-CB 3.15Å; R53-K57 PolarHBondContact O-N 2.9Å; R53-M91 WeakPolarHBondContact CD-O 3.5Å; R53-M91 PolarHBondContact NH1-O 3.3Å
54	L	77.6	Confident	74.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-44.4	175.5	-76.8	171.1	0	0	0	112	G50 I51 N56 K57 Y58 Y100 V103 E104 I107	G50-L54 PolarHBondContact O-N 3.38Å; I51-L54 PolarHBondContact O-N 3.35Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 3.38Å; L54-K57 PolarHBondContact O-N 3.12Å; L54-Y58 HydrophobicContact CD2-CE2 4.19Å; L54-Y58 VanDerWaalsContact O-CD2 3.3Å; L54-Y58 WeakPolarHBondContact O-CD2 3.39Å; L54-Y58 PolarHBondContact O-N 3.08Å; L54-Y100 HydrophobicContact CD1-CD2 4.48Å; L54-Y100 HydrophobicContact CD1-CE1 4.42Å; L54-Y100 HydrophobicContact CD1-CE2 3.79Å; L54-Y100 HydrophobicContact CD2-CE1 4.21Å; L54-Y100 WeakPolarHBondContact CD2-OH 3.47Å; L54-Y100 HydrophobicContact CG-CE2 4.22Å; L54-Y100 VanDerWaalsContact CG-OH 3.25Å; L54-Y100 WeakPolarHBondContact CG-OH 2.89Å; L54-V103 HydrophobicContact CD1-CB 4.4Å; L54-V103 HydrophobicContact CD1-CG1 3.79Å; L54-E104 HydrophobicContact CD1-CB 4.06Å; L54-E104 HydrophobicContact CD2-CB 3.77Å; L54-E104 HydrophobicContact CD2-CG 3.88Å; L54-I107 HydrophobicContact CB-CD1 3.5Å; L54-I107 HydrophobicContact CB-CG2 4.35Å; L54-I107 HydrophobicContact CD1-CD1 3.94Å; L54-I107 HydrophobicContact CG-CD1 4.37Å
55	E	79.8	Confident	75.7	Confident	39 Å²	39	49.2 Å²	49.2	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-44.9	174.9	-72	-78.2	-177	0	0	110.7	I51 I52 Y58 A59 I107 K110 W111	I51-E55 HydrophobicContact CG2-CG 4.11Å; I51-E55 WeakPolarHBondContact O-CB 3.46Å; I51-E55 VanDerWaalsContact O-CG 3.27Å; I51-E55 WeakPolarHBondContact O-CG 3.43Å; I51-E55 PolarHBondContact O-N 2.95Å; I52-E55 PolarHBondContact O-N 3.45Å; E55-Y58 PolarHBondContact O-N 3.5Å; E55-A59 WeakPolarHBondContact O-CB 3.47Å; E55-A59 PolarHBondContact O-N 2.84Å; E55-I107 HydrophobicContact CG-CD1 4.31Å; E55-I107 HydrophobicContact CG-CG2 4.39Å; E55-K110 IonicContact OE1-NZ 2.73Å; E55-K110 PolarHBondContact OE1-NZ 2.86Å; E55-K110 IonicContact OE2-NZ 2.92Å; E55-K110 PolarHBondContact OE2-NZ 3.21Å; E55-W111 PolarHBondContact OE2-NE1 3.17Å
56	N	78.1	Confident	76.3	Confident	69 Å²	69	42.8 Å²	42.8	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-41.3	177.3	-72.3	-3.4	0	0	0	112.4	I52 R53 L54 A60	I52-N56 WeakPolarHBondContact O-CB 3.48Å; I52-N56 VanDerWaalsContact O-CG 3.23Å; I52-N56 PolarHBondContact O-N 2.95Å; I52-N56 PolarHBondContact O-OD1 3.34Å; R53-N56 PolarHBondContact O-N 2.86Å; L54-N56 VanDerWaalsContact C-N 3.32Å; L54-N56 PolarHBondContact O-N 3.38Å; N56-A60 WeakPolarHBondContact O-CB 3.29Å; N56-A60 PolarHBondContact O-N 3.26Å
57	K	85.5	Confident	77	Confident	28 Å²	28	40 Å²	40	12%	0.122	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-53.4	175.4	176.5	-172.6	175.4	-175.8	0	111.1	R53 L54 A60 E61 Y85 A88 E104	R53-K57 WeakPolarHBondContact O-CB 3.15Å; R53-K57 PolarHBondContact O-N 2.9Å; L54-K57 PolarHBondContact O-N 3.12Å; K57-A60 PolarHBondContact O-N 3.49Å; K57-E61 PolarHBondContact O-N 3.16Å; K57-Y85 HydrophobicContact CG-CE2 3.99Å; K57-Y85 WeakPolarHBondContact O-CD2 3.19Å; K57-A88 HydrophobicContact CB-CB 4.39Å; K57-E104 IonicContact NZ-OE1 3.9Å; K57-E104 PolarHBondContact NZ-OE1 3.46Å
58	Y	85.7	Confident	78	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-77.4	-25.6	-176.1	-74.9	-64.8	0	0	0	113.9	L54 E55 E61 W62 E104 I107 R108	L54-Y58 HydrophobicContact CD2-CE2 4.19Å; L54-Y58 VanDerWaalsContact O-CD2 3.3Å; L54-Y58 WeakPolarHBondContact O-CD2 3.39Å; L54-Y58 PolarHBondContact O-N 3.08Å; E55-Y58 PolarHBondContact O-N 3.5Å; Y58-E61 HydrophobicContact CD1-CB 4.49Å; Y58-E61 WeakPolarHBondContact CD1-OE2 3.39Å; Y58-E61 WeakPolarHBondContact CE1-OE2 3.49Å; Y58-E61 PolarHBondContact O-N 2.94Å; Y58-W62 VanDerWaalsContact O-CB 3.3Å; Y58-W62 WeakPolarHBondContact O-CB 3.44Å; Y58-W62 PolarHBondContact O-N 3.39Å; Y58-E104 HydrophobicContact CE2-CG 3.87Å; Y58-E104 VanDerWaalsContact OH-CG 3.28Å; Y58-E104 WeakPolarHBondContact OH-CG 3.34Å; Y58-E104 PolarHBondContact OH-OE1 2.81Å; Y58-I107 HydrophobicContact CD2-CB 4.28Å; Y58-I107 HydrophobicContact CD2-CG2 3.64Å; Y58-I107 HydrophobicContact CE2-CG2 4.48Å; Y58-I107 HydrophobicContact CG-CG2 4.3Å; Y58-R108 HydrophobicContact CD1-CB 4.16Å; Y58-R108 HydrophobicContact CD1-CG 4.08Å; Y58-R108 HydrophobicContact CD2-CB 4.45Å; Y58-R108 HydrophobicContact CE1-CB 3.65Å; Y58-R108 HydrophobicContact CE1-CG 3.48Å; Y58-R108 VanDerWaalsContact CE1-CG 3.48Å; Y58-R108 HydrophobicContact CE2-CB 3.93Å; Y58-R108 VanDerWaalsContact CZ-CB 3.49Å
59	A	79.8	Confident	79	Confident	21 Å²	21	45 Å²	45	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-45.8	166	0	0	0	0	0	111	E55 E61 W62 I63 W111	E55-A59 WeakPolarHBondContact O-CB 3.47Å; E55-A59 PolarHBondContact O-N 2.84Å; A59-E61 VanDerWaalsContact C-N 3.34Å; A59-E61 PolarHBondContact O-N 3.12Å; A59-W62 PolarHBondContact O-N 3.06Å; A59-I63 WeakPolarHBondContact O-CG1 3.41Å; A59-I63 PolarHBondContact O-N 3.38Å; A59-W111 HydrophobicContact CB-CD2 4.5Å; A59-W111 HydrophobicContact CB-CH2 3.58Å; A59-W111 HydrophobicContact CB-CZ2 3.51Å; A59-W111 HydrophobicContact CB-CZ3 4.12Å
60	A	79.9	Confident	79.3	Confident	14 Å²	14	45.1 Å²	45.1	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-38.3	177.3	0	0	0	0	0	112.1	N56 K57 I63 L64 Y85 A88	N56-A60 WeakPolarHBondContact O-CB 3.29Å; N56-A60 PolarHBondContact O-N 3.26Å; K57-A60 PolarHBondContact O-N 3.49Å; A60-I63 PolarHBondContact O-N 3.4Å; A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 PolarHBondContact O-N 3.28Å; A60-Y85 HydrophobicContact CB-CD2 4.28Å; A60-A88 HydrophobicContact CB-CB 4.3Å
61	E	88.5	Confident	79.6	Confident	41 Å²	41	47.8 Å²	47.8	19%	0.192	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-48.2	172.8	-162.7	165.3	163.6	0	0	111.4	K57 Y58 A59 I63 L64 D65 Y85	K57-E61 PolarHBondContact O-N 3.16Å; Y58-E61 HydrophobicContact CD1-CB 4.49Å; Y58-E61 WeakPolarHBondContact CD1-OE2 3.39Å; Y58-E61 WeakPolarHBondContact CE1-OE2 3.49Å; Y58-E61 PolarHBondContact O-N 2.94Å; A59-E61 VanDerWaalsContact C-N 3.34Å; A59-E61 PolarHBondContact O-N 3.12Å; E61-I63 PolarHBondContact O-N 2.79Å; E61-L64 WeakPolarHBondContact O-CB 3.49Å; E61-L64 PolarHBondContact O-N 3.1Å; E61-D65 WeakPolarHBondContact O-CB 3.44Å; E61-D65 PolarHBondContact O-N 2.84Å; E61-Y85 HydrophobicContact CB-CD2 3.68Å; E61-Y85 HydrophobicContact CB-CE2 3.46Å; E61-Y85 VanDerWaalsContact CB-CE2 3.46Å; E61-Y85 HydrophobicContact CG-CD2 4.26Å; E61-Y85 HydrophobicContact CG-CE2 3.77Å; E61-Y85 VanDerWaalsContact OE2-CE2 3.25Å; E61-Y85 WeakPolarHBondContact OE2-CE2 3.46Å; E61-Y85 PolarHBondContact OE2-OH 3.4Å
62	W	85.7	Confident	80.3	Confident	50 Å²	50	49.9 Å²	49.9	19%	0.189	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-47.3	176.9	163.6	82.5	0	0	0	112	Y58 A59 L64 D65 L66 W111 L115 D118	Y58-W62 VanDerWaalsContact O-CB 3.3Å; Y58-W62 WeakPolarHBondContact O-CB 3.44Å; Y58-W62 PolarHBondContact O-N 3.39Å; A59-W62 PolarHBondContact O-N 3.06Å; W62-L64 PolarHBondContact O-N 2.87Å; W62-D65 PolarHBondContact O-N 3.45Å; W62-L66 HydrophobicContact CH2-CD2 4.22Å; W62-L66 HydrophobicContact CZ2-CD2 3.6Å; W62-L66 WeakPolarHBondContact O-CB 3.49Å; W62-L66 PolarHBondContact O-N 2.97Å; W62-W111 HydrophobicContact CB-CD2 4.44Å; W62-W111 HydrophobicContact CB-CE3 3.59Å; W62-W111 HydrophobicContact CB-CZ3 4.15Å; W62-W111 HydrophobicContact CD2-CE3 4.09Å; W62-W111 AromaticContact CD2-CZ3 3.83Å; W62-W111 HydrophobicContact CD2-CZ3 3.83Å; W62-W111 HydrophobicContact CE3-CE3 4.35Å; W62-W111 AromaticContact CE3-CZ3 3.72Å; W62-W111 HydrophobicContact CE3-CZ3 3.72Å; W62-W111 AromaticContact CG-CE3 3.7Å; W62-W111 HydrophobicContact CG-CE3 3.7Å; W62-W111 AromaticContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CG-CZ3 3.97Å; W62-L115 VanDerWaalsContact CD1-CA 3.49Å; W62-D118 VanDerWaalsContact CE2-OD2 3.27Å; W62-D118 WeakPolarHBondContact CZ2-OD2 3.48Å; W62-D118 PolarHBondContact NE1-OD2 3.27Å
63	I	79.5	Confident	81	Confident	52 Å²	52	52.2 Å²	52.2	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-49.8	177.1	-65.7	171.2	0	0	0	109.9	A59 A60 E61 D65 L66 F67 Y81	A59-I63 WeakPolarHBondContact O-CG1 3.41Å; A59-I63 PolarHBondContact O-N 3.38Å; A60-I63 PolarHBondContact O-N 3.4Å; E61-I63 PolarHBondContact O-N 2.79Å; I63-D65 PolarHBondContact O-N 3.26Å; I63-L66 PolarHBondContact O-N 3.01Å; I63-F67 HydrophobicContact CG2-CD2 3.91Å; I63-F67 HydrophobicContact CG2-CE2 4.21Å; I63-F67 WeakPolarHBondContact O-CB 3.5Å; I63-F67 WeakPolarHBondContact O-CD2 3.41Å; I63-F67 PolarHBondContact O-N 3.14Å; I63-Y81 HydrophobicContact CG2-CD1 3.41Å; I63-Y81 VanDerWaalsContact CG2-CD1 3.41Å; I63-Y81 HydrophobicContact CG2-CD2 3.97Å; I63-Y81 HydrophobicContact CG2-CE1 3.43Å; I63-Y81 VanDerWaalsContact CG2-CE1 3.43Å; I63-Y81 HydrophobicContact CG2-CE2 3.98Å; I63-Y81 HydrophobicContact CG2-CG 3.7Å
64	L	83.2	Confident	81.2	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-49.6	-178.9	173.4	60.7	0	0	0	111.3	A60 E61 W62 F67 K68 L78 Y85	A60-L64 WeakPolarHBondContact O-CB 3.45Å; A60-L64 PolarHBondContact O-N 3.28Å; E61-L64 WeakPolarHBondContact O-CB 3.49Å; E61-L64 PolarHBondContact O-N 3.1Å; W62-L64 PolarHBondContact O-N 2.87Å; L64-F67 PolarHBondContact O-N 3.39Å; L64-K68 HydrophobicContact CD1-CG 4.45Å; L64-K68 WeakPolarHBondContact O-CG 3.35Å; L64-K68 PolarHBondContact O-N 2.92Å; L64-L78 HydrophobicContact CD1-CD2 4.46Å; L64-Y85 HydrophobicContact CD2-CD1 4.37Å; L64-Y85 HydrophobicContact CD2-CG 4.47Å
65	D	87.2	Confident	81.5	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.203	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-34.3	-176.8	-75.5	-12.1	0	0	0	112.8	E61 W62 I63 K68 N69 L115	E61-D65 WeakPolarHBondContact O-CB 3.44Å; E61-D65 PolarHBondContact O-N 2.84Å; W62-D65 PolarHBondContact O-N 3.45Å; I63-D65 PolarHBondContact O-N 3.26Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 IonicContact OD1-NZ 3.62Å; D65-K68 PolarHBondContact OD1-NZ 3.01Å; D65-N69 PolarHBondContact O-N 3.07Å; D65-N69 PolarHBondContact O-ND2 3.46Å; D65-L115 HydrophobicContact CB-CD1 4.16Å; D65-L115 HydrophobicContact CB-CD2 3.69Å
66	L	76	Confident	81.8	Confident	16 Å²	16	63.1 Å²	63.1	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-50.4	170.8	-179.8	61.5	0	0	0	110	W62 I63 K68 N69 I70 L115 D118 L119	W62-L66 HydrophobicContact CH2-CD2 4.22Å; W62-L66 HydrophobicContact CZ2-CD2 3.6Å; W62-L66 WeakPolarHBondContact O-CB 3.49Å; W62-L66 PolarHBondContact O-N 2.97Å; I63-L66 PolarHBondContact O-N 3.01Å; L66-K68 PolarHBondContact O-N 3.46Å; L66-N69 PolarHBondContact O-N 2.91Å; L66-N69 VanDerWaalsContact O-N 3.12Å; L66-I70 HydrophobicContact CD1-CG2 4.01Å; L66-I70 HydrophobicContact CG-CD1 4.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 2.91Å; L66-L115 HydrophobicContact CB-CD1 3.89Å; L66-L115 HydrophobicContact CD1-CD1 4.47Å; L66-D118 HydrophobicContact CD1-CB 3.85Å; L66-D118 HydrophobicContact CD2-CB 4.29Å; L66-L119 HydrophobicContact CD1-CD2 3.83Å; L66-L119 HydrophobicContact CD1-CG 4.35Å
67	F	76.5	Confident	81.8	Confident	46 Å²	46	62.6 Å²	62.6	20%	0.202	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-38.2	-179.5	-91	-89.4	0	0	0	113.8	I63 L64 N69 I70 N71 L77 L78 Y81	I63-F67 HydrophobicContact CG2-CD2 3.91Å; I63-F67 HydrophobicContact CG2-CE2 4.21Å; I63-F67 WeakPolarHBondContact O-CB 3.5Å; I63-F67 WeakPolarHBondContact O-CD2 3.41Å; I63-F67 PolarHBondContact O-N 3.14Å; L64-F67 PolarHBondContact O-N 3.39Å; F67-N69 PolarHBondContact O-N 3.31Å; F67-I70 HydrophobicContact CD1-CD1 4.36Å; F67-I70 HydrophobicContact CD1-CG1 4.46Å; F67-I70 HydrophobicContact CE1-CD1 4.42Å; F67-I70 HydrophobicContact CG-CD1 4.49Å; F67-I70 PolarHBondContact O-N 3.14Å; F67-N71 CarbonylContact O-C 3.28Å; F67-N71 VanDerWaalsContact O-C 3.28Å; F67-N71 PolarHBondContact O-N 3.01Å; F67-L77 HydrophobicContact CE1-CD1 4.07Å; F67-L78 HydrophobicContact CB-CD2 4.04Å; F67-Y81 HydrophobicContact CB-CD2 4.05Å; F67-Y81 HydrophobicContact CB-CE2 4.15Å; F67-Y81 AromaticContact CD1-CE2 3.85Å; F67-Y81 HydrophobicContact CD1-CE2 3.85Å; F67-Y81 AromaticContact CD2-CD2 4Å; F67-Y81 HydrophobicContact CD2-CD2 4Å; F67-Y81 AromaticContact CD2-CE2 3.43Å; F67-Y81 HydrophobicContact CD2-CE2 3.43Å; F67-Y81 VanDerWaalsContact CD2-CE2 3.43Å; F67-Y81 HydrophobicContact CE1-CE2 4.05Å; F67-Y81 AromaticContact CE2-CE2 3.65Å; F67-Y81 HydrophobicContact CE2-CE2 3.65Å; F67-Y81 AromaticContact CE2-CZ 3.85Å; F67-Y81 AromaticContact CG-CD2 3.94Å; F67-Y81 HydrophobicContact CG-CD2 3.94Å; F67-Y81 AromaticContact CG-CE2 3.52Å; F67-Y81 HydrophobicContact CG-CE2 3.52Å; F67-Y81 AromaticContact CZ-CE2 3.96Å; F67-Y81 HydrophobicContact CZ-CE2 3.96Å
68	K	84.4	Confident	81.5	Confident	96 Å²	96	62.8 Å²	62.8	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-55.4	-35.6	172.3	-76.7	175.4	-167.5	153.1	0	112.1	L64 D65 L66 P72 L78	L64-K68 HydrophobicContact CD1-CG 4.45Å; L64-K68 WeakPolarHBondContact O-CG 3.35Å; L64-K68 PolarHBondContact O-N 2.92Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 IonicContact OD1-NZ 3.62Å; D65-K68 PolarHBondContact OD1-NZ 3.01Å; L66-K68 PolarHBondContact O-N 3.46Å; K68-P72 WeakPolarHBondContact O-CB 3.46Å; K68-L78 HydrophobicContact CB-CD2 4.41Å; K68-L78 HydrophobicContact CG-CD2 3.79Å
69	N	79.7	Confident	81.6	Confident	103 Å²	103	67.4 Å²	67.4	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-85.7	-39.5	-177.5	-78.4	-79.5	0	0	0	113.1	D65 L66 F67 L119	D65-N69 PolarHBondContact O-N 3.07Å; D65-N69 PolarHBondContact O-ND2 3.46Å; L66-N69 PolarHBondContact O-N 2.91Å; L66-N69 VanDerWaalsContact O-N 3.12Å; F67-N69 PolarHBondContact O-N 3.31Å; N69-L119 HydrophobicContact CB-CD2 3.36Å
70	I	72.7	Confident	81.7	Confident	69 Å²	69	69.5 Å²	69.5	35%	0.354	35%	0.348	S	S	.	.	H	α-helix	trans	-86.2	-32.2	-175.8	67.7	178.3	0	0	0	113.2	L66 F67 L119 N122	L66-I70 HydrophobicContact CD1-CG2 4.01Å; L66-I70 HydrophobicContact CG-CD1 4.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 2.91Å; F67-I70 HydrophobicContact CD1-CD1 4.36Å; F67-I70 HydrophobicContact CD1-CG1 4.46Å; F67-I70 HydrophobicContact CE1-CD1 4.42Å; F67-I70 HydrophobicContact CG-CD1 4.49Å; F67-I70 PolarHBondContact O-N 3.14Å; I70-L119 HydrophobicContact CG2-CD2 4.44Å; I70-N122 HydrophobicContact CG2-CB 4.18Å
71	N	77.4	Confident	81.8	Confident	61 Å²	61	71.1 Å²	71.1	33%	0.326	35%	0.351	S	S	.	.			trans	-145.3	66	-176.2	-166.8	3.2	0	0	0	111.8	F67 N73 D74	F67-N71 CarbonylContact O-C 3.28Å; F67-N71 VanDerWaalsContact O-C 3.28Å; F67-N71 PolarHBondContact O-N 3.01Å; N71-N73 PolarHBondContact O-N 3.11Å; N71-D74 PolarHBondContact O-N 3.42Å
72	P	82.2	Confident	81.8	Confident	73 Å²	73	71.7 Å²	71.7	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14	-177.2	24.1	-34.3	0	0	0	114.4	K68 L78	K68-P72 WeakPolarHBondContact O-CB 3.46Å; P72-L78 WeakPolarHBondContact O-CD1 3.48Å
73	N	83.7	Confident	81.9	Confident	143 Å²	143	73.5 Å²	73.5	77%	0.765	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.8	-174.4	-65	-39.8	0	0	0	113.3	N71 R75	N71-N73 PolarHBondContact O-N 3.11Å; N73-R75 PolarHBondContact O-N 3.42Å
74	D	83	Confident	81.9	Confident	53 Å²	53	73.8 Å²	73.8	28%	0.283	37%	0.372	S	S	.	.			trans	-82.4	81.5	178.7	-162.7	-34.2	0	0	0	110.8	N71 D76 L77 L78	N71-D74 PolarHBondContact O-N 3.42Å; D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 2.96Å; D74-L77 HydrophobicContact CB-CB 4.32Å; D74-L77 HydrophobicContact CB-CD1 4.41Å; D74-L77 PolarHBondContact O-N 2.7Å; D74-L77 PolarHBondContact OD1-N 3.15Å; D74-L77 VanDerWaalsContact OD1-N 3.15Å; D74-L77 VanDerWaalsContact OD2-CD1 3.24Å; D74-L77 WeakPolarHBondContact OD2-CD1 3.48Å; D74-L78 WeakPolarHBondContact O-CB 3.26Å; D74-L78 VanDerWaalsContact O-CG 3.25Å; D74-L78 WeakPolarHBondContact O-CG 3.29Å; D74-L78 PolarHBondContact O-N 3.26Å
75	R	83.9	Confident	82	Confident	204 Å²	204	76 Å²	76	77%	0.77	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-33.1	-174.7	-66.2	-173.7	179.4	-175.3	-0.2	113	N73 Q79	N73-R75 PolarHBondContact O-N 3.42Å; R75-Q79 WeakPolarHBondContact O-CB 3.4Å; R75-Q79 PolarHBondContact O-N 2.9Å
76	D	84.4	Confident	82.1	Confident	129 Å²	129	80.3 Å²	80.3	69%	0.69	40%	0.397	S	S	*	.	H	α-helix	trans	-72.2	-43.3	-176.7	-66.3	-18.2	0	0	0	110.8	D74 Q79 T80	D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 2.96Å; D76-Q79 PolarHBondContact O-N 3.47Å; D76-T80 PolarHBondContact O-N 2.94Å; D76-T80 PolarHBondContact O-OG1 3.46Å
77	L	79.2	Confident	82.6	Confident	59 Å²	59	85.8 Å²	85.8	31%	0.309	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-43.9	173	-73.9	-177.7	0	0	0	111.8	F67 D74 Q79 T80 Y81	F67-L77 HydrophobicContact CE1-CD1 4.07Å; D74-L77 HydrophobicContact CB-CB 4.32Å; D74-L77 HydrophobicContact CB-CD1 4.41Å; D74-L77 PolarHBondContact O-N 2.7Å; D74-L77 PolarHBondContact OD1-N 3.15Å; D74-L77 VanDerWaalsContact OD1-N 3.15Å; D74-L77 VanDerWaalsContact OD2-CD1 3.24Å; D74-L77 WeakPolarHBondContact OD2-CD1 3.48Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 2.94Å; L77-T80 WeakPolarHBondContact O-CB 3.25Å; L77-T80 PolarHBondContact O-N 2.87Å; L77-T80 VanDerWaalsContact O-N 3.16Å; L77-Y81 HydrophobicContact CB-CD2 4.41Å; L77-Y81 HydrophobicContact CB-CE2 4.06Å; L77-Y81 WeakPolarHBondContact O-CD2 3.44Å; L77-Y81 PolarHBondContact O-N 3.04Å
78	L	79.5	Confident	82.7	Confident	31 Å²	31	84.3 Å²	84.3	16%	0.162	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-39.1	178	-71.9	173.8	0	0	0	112.2	L64 F67 K68 P72 D74 S82	L64-L78 HydrophobicContact CD1-CD2 4.46Å; F67-L78 HydrophobicContact CB-CD2 4.04Å; K68-L78 HydrophobicContact CB-CD2 4.41Å; K68-L78 HydrophobicContact CG-CD2 3.79Å; P72-L78 WeakPolarHBondContact O-CD1 3.48Å; D74-L78 WeakPolarHBondContact O-CB 3.26Å; D74-L78 VanDerWaalsContact O-CG 3.25Å; D74-L78 WeakPolarHBondContact O-CG 3.29Å; D74-L78 PolarHBondContact O-N 3.26Å; L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.38Å
79	Q	87.4	Confident	82.7	Confident	104 Å²	104	81.5 Å²	81.5	49%	0.486	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.4	-176.6	60.6	26.8	0	0	111	R75 D76 L77 Y81 S82 E83	R75-Q79 WeakPolarHBondContact O-CB 3.4Å; R75-Q79 PolarHBondContact O-N 2.9Å; D76-Q79 PolarHBondContact O-N 3.47Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 2.94Å; Q79-Y81 PolarHBondContact O-N 3.39Å; Q79-S82 WeakPolarHBondContact O-CB 3.41Å; Q79-S82 PolarHBondContact O-N 3.2Å; Q79-E83 PolarHBondContact NE2-OE1 3.45Å; Q79-E83 WeakPolarHBondContact O-CG 3.42Å; Q79-E83 PolarHBondContact O-N 3.39Å
80	T	82.5	Confident	82.8	Confident	65 Å²	65	83 Å²	83	40%	0.399	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-47.4	177.8	-57.3	0	0	0	0	111.6	D76 L77 E83 N84	D76-T80 PolarHBondContact O-N 2.94Å; D76-T80 PolarHBondContact O-OG1 3.46Å; L77-T80 WeakPolarHBondContact O-CB 3.25Å; L77-T80 PolarHBondContact O-N 2.87Å; L77-T80 VanDerWaalsContact O-N 3.16Å; T80-E83 PolarHBondContact O-N 2.9Å; T80-N84 VanDerWaalsContact O-CG 3.26Å; T80-N84 PolarHBondContact O-N 3.08Å; T80-N84 PolarHBondContact O-OD1 3.38Å
81	Y	80.7	Confident	82.9	Confident	49 Å²	49	85.2 Å²	85.2	19%	0.192	42%	0.419	C	S	.	.	H	α-helix	trans	-69.3	-35	178.8	-62.9	-45.9	0	0	0	112.9	I63 F67 L77 Q79 E83 N84 Y85	I63-Y81 HydrophobicContact CG2-CD1 3.41Å; I63-Y81 VanDerWaalsContact CG2-CD1 3.41Å; I63-Y81 HydrophobicContact CG2-CD2 3.97Å; I63-Y81 HydrophobicContact CG2-CE1 3.43Å; I63-Y81 VanDerWaalsContact CG2-CE1 3.43Å; I63-Y81 HydrophobicContact CG2-CE2 3.98Å; I63-Y81 HydrophobicContact CG2-CG 3.7Å; F67-Y81 HydrophobicContact CB-CD2 4.05Å; F67-Y81 HydrophobicContact CB-CE2 4.15Å; F67-Y81 AromaticContact CD1-CE2 3.85Å; F67-Y81 HydrophobicContact CD1-CE2 3.85Å; F67-Y81 AromaticContact CD2-CD2 4Å; F67-Y81 HydrophobicContact CD2-CD2 4Å; F67-Y81 AromaticContact CD2-CE2 3.43Å; F67-Y81 HydrophobicContact CD2-CE2 3.43Å; F67-Y81 VanDerWaalsContact CD2-CE2 3.43Å; F67-Y81 HydrophobicContact CE1-CE2 4.05Å; F67-Y81 AromaticContact CE2-CE2 3.65Å; F67-Y81 HydrophobicContact CE2-CE2 3.65Å; F67-Y81 AromaticContact CE2-CZ 3.85Å; F67-Y81 AromaticContact CG-CD2 3.94Å; F67-Y81 HydrophobicContact CG-CD2 3.94Å; F67-Y81 AromaticContact CG-CE2 3.52Å; F67-Y81 HydrophobicContact CG-CE2 3.52Å; F67-Y81 AromaticContact CZ-CE2 3.96Å; F67-Y81 HydrophobicContact CZ-CE2 3.96Å; L77-Y81 HydrophobicContact CB-CD2 4.41Å; L77-Y81 HydrophobicContact CB-CE2 4.06Å; L77-Y81 WeakPolarHBondContact O-CD2 3.44Å; L77-Y81 PolarHBondContact O-N 3.04Å; Q79-Y81 PolarHBondContact O-N 3.39Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; Y81-N84 PolarHBondContact O-N 3.19Å; Y81-Y85 WeakPolarHBondContact O-CB 3.26Å; Y81-Y85 PolarHBondContact O-N 3.23Å
82	S	88.1	Confident	82.4	Confident	52 Å²	52	83 Å²	83	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-43.7	173.1	-175.5	0	0	0	0	111.4	L78 Q79 Y85 K86	L78-S82 WeakPolarHBondContact O-CB 3.41Å; L78-S82 PolarHBondContact O-N 3.38Å; Q79-S82 WeakPolarHBondContact O-CB 3.41Å; Q79-S82 PolarHBondContact O-N 3.2Å; S82-Y85 PolarHBondContact O-N 3.16Å; S82-K86 WeakPolarHBondContact O-CB 3.27Å; S82-K86 PolarHBondContact O-N 2.88Å
83	E	88.4	Confident	81.4	Confident	89 Å²	89	80.7 Å²	80.7	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-37.2	175.9	-72.7	173.8	-171	0	0	112.8	Q79 T80 Y81 K86 R87	Q79-E83 PolarHBondContact NE2-OE1 3.45Å; Q79-E83 WeakPolarHBondContact O-CG 3.42Å; Q79-E83 PolarHBondContact O-N 3.39Å; T80-E83 PolarHBondContact O-N 2.9Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; E83-K86 PolarHBondContact O-N 3.29Å; E83-R87 WeakPolarHBondContact O-CB 3.16Å; E83-R87 WeakPolarHBondContact O-CG 3.5Å; E83-R87 PolarHBondContact O-N 3.45Å
84	N	79.6	Confident	80	Confident	58 Å²	58	81.7 Å²	81.7	31%	0.31	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-47	174.9	-70	-6.9	0	0	0	111.5	T80 Y81 K86 R87 A88	T80-N84 VanDerWaalsContact O-CG 3.26Å; T80-N84 PolarHBondContact O-N 3.08Å; T80-N84 PolarHBondContact O-OD1 3.38Å; Y81-N84 PolarHBondContact O-N 3.19Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 2.97Å; N84-R87 PolarHBondContact O-N 3.42Å; N84-R87 PolarHBondContact OD1-NH2 3.45Å; N84-A88 WeakPolarHBondContact O-CB 3.46Å; N84-A88 PolarHBondContact O-N 2.83Å
85	Y	85.8	Confident	78.8	Confident	59 Å²	59	83.1 Å²	83.1	23%	0.231	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-42	175.7	174.6	-111	0	0	0	112	K57 A60 E61 L64 Y81 S82 A88 S89	K57-Y85 HydrophobicContact CG-CE2 3.99Å; K57-Y85 WeakPolarHBondContact O-CD2 3.19Å; A60-Y85 HydrophobicContact CB-CD2 4.28Å; E61-Y85 HydrophobicContact CB-CD2 3.68Å; E61-Y85 HydrophobicContact CB-CE2 3.46Å; E61-Y85 VanDerWaalsContact CB-CE2 3.46Å; E61-Y85 HydrophobicContact CG-CD2 4.26Å; E61-Y85 HydrophobicContact CG-CE2 3.77Å; E61-Y85 VanDerWaalsContact OE2-CE2 3.25Å; E61-Y85 WeakPolarHBondContact OE2-CE2 3.46Å; E61-Y85 PolarHBondContact OE2-OH 3.4Å; L64-Y85 HydrophobicContact CD2-CD1 4.37Å; L64-Y85 HydrophobicContact CD2-CG 4.47Å; Y81-Y85 WeakPolarHBondContact O-CB 3.26Å; Y81-Y85 PolarHBondContact O-N 3.23Å; S82-Y85 PolarHBondContact O-N 3.16Å; Y85-A88 PolarHBondContact O-N 2.65Å; Y85-S89 WeakPolarHBondContact O-CB 3.35Å; Y85-S89 PolarHBondContact O-N 2.86Å; Y85-S89 PolarHBondContact O-OG 2.76Å
86	K	89.5	Confident	77.3	Confident	128 Å²	128	82.2 Å²	82.2	56%	0.557	42%	0.415	S	S	*	.	H	α-helix	trans	-60.4	-47.5	175.8	-171.8	-176.4	179	-163.8	0	111.4	S82 E83 N84 A88 S89 E90	S82-K86 WeakPolarHBondContact O-CB 3.27Å; S82-K86 PolarHBondContact O-N 2.88Å; E83-K86 PolarHBondContact O-N 3.29Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 2.97Å; K86-A88 PolarHBondContact O-N 3.35Å; K86-S89 PolarHBondContact O-N 3.43Å; K86-E90 WeakPolarHBondContact CE-OE1 3.47Å; K86-E90 IonicContact NZ-OE1 3.36Å; K86-E90 WeakPolarHBondContact O-CG 3.27Å; K86-E90 PolarHBondContact O-N 3.17Å
87	R	85.2	Confident	76.1	Confident	130 Å²	130	78.2 Å²	78.2	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-46.5	176	-79.6	-174.4	-82.7	173.7	-10.5	111.9	E83 N84 S89 E90 M91	E83-R87 WeakPolarHBondContact O-CB 3.16Å; E83-R87 WeakPolarHBondContact O-CG 3.5Å; E83-R87 PolarHBondContact O-N 3.45Å; N84-R87 PolarHBondContact O-N 3.42Å; N84-R87 PolarHBondContact OD1-NH2 3.45Å; R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.98Å; R87-E90 PolarHBondContact O-N 3.19Å; R87-M91 HydrophobicContact CB-CE 4.45Å; R87-M91 WeakPolarHBondContact O-CG 3.47Å; R87-M91 PolarHBondContact O-N 2.71Å
88	A	79.5	Confident	75	Confident	16 Å²	16	82.6 Å²	82.6	13%	0.132	41%	0.407	C	S	.	.	H	α-helix	trans	-63.9	-37.7	177.9	0	0	0	0	0	112.1	K57 A60 N84 Y85 K86 M91 S92	K57-A88 HydrophobicContact CB-CB 4.39Å; A60-A88 HydrophobicContact CB-CB 4.3Å; N84-A88 WeakPolarHBondContact O-CB 3.46Å; N84-A88 PolarHBondContact O-N 2.83Å; Y85-A88 PolarHBondContact O-N 2.65Å; K86-A88 PolarHBondContact O-N 3.35Å; A88-M91 PolarHBondContact O-N 2.77Å; A88-S92 PolarHBondContact O-N 3.38Å
89	S	84.2	Confident	73.9	Confident	37 Å²	37	84 Å²	84	26%	0.259	41%	0.41	S	S	.	.	H	α-helix	trans	-66.9	-38.7	175.8	-62.9	0	0	0	0	112.7	Y85 K86 R87 M91 S92	Y85-S89 WeakPolarHBondContact O-CB 3.35Å; Y85-S89 PolarHBondContact O-N 2.86Å; Y85-S89 PolarHBondContact O-OG 2.76Å; K86-S89 PolarHBondContact O-N 3.43Å; R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.98Å; S89-M91 VanDerWaalsContact C-N 3.32Å; S89-S92 WeakPolarHBondContact O-CB 3.26Å; S89-S92 PolarHBondContact O-N 2.9Å
90	E	82.6	Confident	72.9	Confident	134 Å²	134	79.2 Å²	79.2	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-69.7	-29.6	175.5	-72.5	172.7	-179.6	0	0	112.6	K86 R87 S92	K86-E90 WeakPolarHBondContact CE-OE1 3.47Å; K86-E90 IonicContact NZ-OE1 3.36Å; K86-E90 WeakPolarHBondContact O-CG 3.27Å; K86-E90 PolarHBondContact O-N 3.17Å; R87-E90 PolarHBondContact O-N 3.19Å; E90-S92 VanDerWaalsContact C-N 3.31Å
91	M	74.9	Confident	72.3	Confident	115 Å²	115	80.7 Å²	80.7	57%	0.567	39%	0.393	S	S	*	.	H	α-helix	trans	-80.3	-14.1	172.7	-66.4	-176	-152.7	0	0	112.9	R53 R87 A88 S89	R53-M91 WeakPolarHBondContact CD-O 3.5Å; R53-M91 PolarHBondContact NH1-O 3.3Å; R87-M91 HydrophobicContact CB-CE 4.45Å; R87-M91 WeakPolarHBondContact O-CG 3.47Å; R87-M91 PolarHBondContact O-N 2.71Å; A88-M91 PolarHBondContact O-N 2.77Å; S89-M91 VanDerWaalsContact C-N 3.32Å
92	S	65.7	Low	71.5	Confident	14 Å²	14	78.9 Å²	78.9	10%	0.098	39%	0.387	C	S	.	.	S	Bend	trans	-63	131.9	176.7	-168.6	0	0	0	0	109.2	A88 S89 E90 N94 Y100	A88-S92 PolarHBondContact O-N 3.38Å; S89-S92 WeakPolarHBondContact O-CB 3.26Å; S89-S92 PolarHBondContact O-N 2.9Å; E90-S92 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 2.84Å; S92-Y100 PolarHBondContact OG-OH 2.98Å; S92-Y100 VanDerWaalsContact OG-OH 3.13Å
93	P	61.8	Low	70.4	Confident	25 Å²	25	76.4 Å²	76.4	16%	0.162	37%	0.37	C	S	.	.			trans	-56.4	127.1	177.9	-14.2	18.1	0	0	0	111.8	H95 Y100	P93-H95 VanDerWaalsContact C-N 3.33Å; P93-H95 WeakPolarHBondContact CB-CE1 3.47Å; P93-H95 WeakPolarHBondContact CB-ND1 3.42Å; P93-H95 PolarHBondContact O-N 2.82Å; P93-H95 VanDerWaalsContact O-N 3.15Å; P93-Y100 HydrophobicContact CB-CE2 4.26Å; P93-Y100 VanDerWaalsContact CD-OH 3.28Å; P93-Y100 WeakPolarHBondContact CD-OH 3.34Å; P93-Y100 HydrophobicContact CG-CE2 3.96Å
94	N	55	Low	69.8	Low	165 Å²	165	73.6 Å²	73.6	88%	0.882	36%	0.357	S	S	*	.			trans	-74.9	91.6	156.5	-89.3	-5.2	0	0	0	106.3	S92	S92-N94 PolarHBondContact O-N 2.84Å
95	H	57.7	Low	69.4	Low	83 Å²	83	74.5 Å²	74.5	38%	0.384	36%	0.359	S	S	.	.			trans	-109.7	113.6	168	-74.3	37.1	0	0	0	106.7	P93 D97 Y100	P93-H95 VanDerWaalsContact C-N 3.33Å; P93-H95 WeakPolarHBondContact CB-CE1 3.47Å; P93-H95 WeakPolarHBondContact CB-ND1 3.42Å; P93-H95 PolarHBondContact O-N 2.82Å; P93-H95 VanDerWaalsContact O-N 3.15Å; H95-D97 HydrophobicContact CB-CB 4.03Å; H95-D97 PolarHBondContact O-N 2.65Å; H95-Y100 HydrophobicContact CB-CD2 4.45Å; H95-Y100 HydrophobicContact CB-CG 4.17Å
96	D	51.5	Low	68.4	Low	185 Å²	185	72.1 Å²	72.1	99%	0.989	35%	0.351	S	S	*	.			trans	-71.8	52.8	163.3	-69.7	-26.6	0	0	0	108.7
97	D	59.5	Low	67.4	Low	45 Å²	45	66.4 Å²	66.4	24%	0.241	33%	0.326	C	S	.	.			trans	-118	110.8	-178.7	-170.4	-8.1	0	0	0	108	H95 Y99 Y100	H95-D97 HydrophobicContact CB-CB 4.03Å; H95-D97 PolarHBondContact O-N 2.65Å; D97-Y99 PolarHBondContact O-N 3.09Å; D97-Y99 VanDerWaalsContact OD1-CD2 3.27Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.41Å; D97-Y99 PolarHBondContact OD1-N 3.4Å; D97-Y100 VanDerWaalsContact O-CB 3.29Å; D97-Y100 WeakPolarHBondContact O-CB 3.49Å; D97-Y100 PolarHBondContact O-N 3.44Å
98	Y	54.8	Low	67	Low	151 Å²	151	64.3 Å²	64.3	59%	0.592	32%	0.318	S	S	*	.	H	α-helix	trans	-47.7	-33.9	178.3	176.1	-94.6	0	0	0	112.4	E34	E34-Y98 HydrophobicContact CG-CE1 4.27Å; E34-Y98 WeakPolarHBondContact OE1-CE1 3.47Å; E34-Y98 VanDerWaalsContact OE1-CZ 3.27Å; E34-Y98 PolarHBondContact OE1-OH 2.99Å
99	Y	57.4	Low	66.7	Low	59 Å²	59	65.3 Å²	65.3	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-75.6	-24.1	-179.6	-64.4	-60.5	0	0	0	114.3	E34 L37 Y38 N41 D97	E34-Y99 HydrophobicContact CB-CD1 4.48Å; L37-Y99 HydrophobicContact CB-CD1 3.71Å; L37-Y99 HydrophobicContact CB-CE1 3.32Å; L37-Y99 HydrophobicContact CB-CG 4.48Å; L37-Y99 HydrophobicContact CD1-CE1 3.61Å; L37-Y99 HydrophobicContact CG-CE1 4.05Å; Y38-Y99 VanDerWaalsContact CD2-CB 3.48Å; N41-Y99 WeakPolarHBondContact ND2-CE2 3.37Å; D97-Y99 PolarHBondContact O-N 3.09Å; D97-Y99 VanDerWaalsContact OD1-CD2 3.27Å; D97-Y99 WeakPolarHBondContact OD1-CD2 3.41Å; D97-Y99 PolarHBondContact OD1-N 3.4Å
100	Y	67.2	Low	66.1	Low	4 Å²	4	66.7 Å²	66.7	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-35.9	174.8	-178.9	-92.7	0	0	0	111.2	L54 S92 P93 H95 D97 S102 V103 E104	L54-Y100 HydrophobicContact CD1-CD2 4.48Å; L54-Y100 HydrophobicContact CD1-CE1 4.42Å; L54-Y100 HydrophobicContact CD1-CE2 3.79Å; L54-Y100 HydrophobicContact CD2-CE1 4.21Å; L54-Y100 WeakPolarHBondContact CD2-OH 3.47Å; L54-Y100 HydrophobicContact CG-CE2 4.22Å; L54-Y100 VanDerWaalsContact CG-OH 3.25Å; L54-Y100 WeakPolarHBondContact CG-OH 2.89Å; S92-Y100 PolarHBondContact OG-OH 2.98Å; S92-Y100 VanDerWaalsContact OG-OH 3.13Å; P93-Y100 HydrophobicContact CB-CE2 4.26Å; P93-Y100 VanDerWaalsContact CD-OH 3.28Å; P93-Y100 WeakPolarHBondContact CD-OH 3.34Å; P93-Y100 HydrophobicContact CG-CE2 3.96Å; H95-Y100 HydrophobicContact CB-CD2 4.45Å; H95-Y100 HydrophobicContact CB-CG 4.17Å; D97-Y100 VanDerWaalsContact O-CB 3.29Å; D97-Y100 WeakPolarHBondContact O-CB 3.49Å; D97-Y100 PolarHBondContact O-N 3.44Å; Y100-S102 VanDerWaalsContact C-N 3.29Å; Y100-S102 PolarHBondContact O-N 2.74Å; Y100-V103 WeakPolarHBondContact O-CB 3.22Å; Y100-V103 PolarHBondContact O-N 3.2Å; Y100-E104 HydrophobicContact CE1-CB 4.43Å; Y100-E104 VanDerWaalsContact CE1-OE2 3.3Å; Y100-E104 WeakPolarHBondContact CE1-OE2 3.35Å; Y100-E104 WeakPolarHBondContact O-CB 3.46Å; Y100-E104 PolarHBondContact O-N 3.17Å
101	D	68.7	Low	65.9	Low	97 Å²	97	62.5 Å²	62.5	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-38.1	178.8	-72.1	-21.7	0	0	0	112.2	E104 F105	D101-E104 PolarHBondContact O-N 3.4Å; D101-F105 VanDerWaalsContact O-CB 3.25Å; D101-F105 WeakPolarHBondContact O-CB 3.28Å; D101-F105 PolarHBondContact O-N 2.94Å
102	S	63.4	Low	65.9	Low	10 Å²	10	60 Å²	60	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-38.1	179.3	-42.3	0	0	0	0	112.2	E34 Y100 F105 A106	E34-S102 VanDerWaalsContact OE2-CB 3.28Å; E34-S102 WeakPolarHBondContact OE2-CB 3.33Å; E34-S102 PolarHBondContact OE2-OG 3.06Å; Y100-S102 VanDerWaalsContact C-N 3.29Å; Y100-S102 PolarHBondContact O-N 2.74Å; S102-F105 WeakPolarHBondContact O-CB 3.49Å; S102-F105 PolarHBondContact O-N 3.41Å; S102-A106 PolarHBondContact O-N 2.86Å
103	V	65.7	Low	65.6	Low	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-47.6	174.2	177.6	0	0	0	0	110.7	L35 Y38 I51 L54 Y100 F105 A106 I107	L35-V103 HydrophobicContact CD2-CB 4.19Å; L35-V103 HydrophobicContact CD2-CG2 3.46Å; L35-V103 VanDerWaalsContact CD2-CG2 3.46Å; Y38-V103 HydrophobicContact CD1-CG2 3.43Å; Y38-V103 VanDerWaalsContact CD1-CG2 3.43Å; Y38-V103 HydrophobicContact CE1-CG2 4.03Å; Y38-V103 HydrophobicContact CG-CG2 4.08Å; I51-V103 HydrophobicContact CD1-CG1 3.18Å; I51-V103 HydrophobicContact CG1-CG1 4.46Å; L54-V103 HydrophobicContact CD1-CB 4.4Å; L54-V103 HydrophobicContact CD1-CG1 3.79Å; Y100-V103 WeakPolarHBondContact O-CB 3.22Å; Y100-V103 PolarHBondContact O-N 3.2Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 3.18Å; V103-A106 PolarHBondContact O-N 3.48Å; V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.34Å; V103-I107 PolarHBondContact O-N 2.87Å
104	E	76.8	Confident	65.8	Low	29 Å²	29	63.5 Å²	63.5	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-44.1	174.9	169	150.9	-167.2	0	0	110.7	L54 K57 Y58 Y100 D101 A106 I107 R108	L54-E104 HydrophobicContact CD1-CB 4.06Å; L54-E104 HydrophobicContact CD2-CB 3.77Å; L54-E104 HydrophobicContact CD2-CG 3.88Å; K57-E104 IonicContact NZ-OE1 3.9Å; K57-E104 PolarHBondContact NZ-OE1 3.46Å; Y58-E104 HydrophobicContact CE2-CG 3.87Å; Y58-E104 VanDerWaalsContact OH-CG 3.28Å; Y58-E104 WeakPolarHBondContact OH-CG 3.34Å; Y58-E104 PolarHBondContact OH-OE1 2.81Å; Y100-E104 HydrophobicContact CE1-CB 4.43Å; Y100-E104 VanDerWaalsContact CE1-OE2 3.3Å; Y100-E104 WeakPolarHBondContact CE1-OE2 3.35Å; Y100-E104 WeakPolarHBondContact O-CB 3.46Å; Y100-E104 PolarHBondContact O-N 3.17Å; D101-E104 PolarHBondContact O-N 3.4Å; E104-A106 PolarHBondContact O-N 3.18Å; E104-I107 PolarHBondContact O-N 3.28Å; E104-R108 VanDerWaalsContact O-CB 3.28Å; E104-R108 WeakPolarHBondContact O-CB 3.33Å; E104-R108 PolarHBondContact O-N 3.5Å
105	F	71	Confident	66.6	Low	78 Å²	78	56.4 Å²	56.4	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-58.3	-46.8	176.1	-174.8	-92.5	0	0	0	112.2	L31 D101 S102 V103 R108 I109	L31-F105 HydrophobicContact CD1-CD1 3.62Å; L31-F105 HydrophobicContact CD1-CE1 4.14Å; D101-F105 VanDerWaalsContact O-CB 3.25Å; D101-F105 WeakPolarHBondContact O-CB 3.28Å; D101-F105 PolarHBondContact O-N 2.94Å; S102-F105 WeakPolarHBondContact O-CB 3.49Å; S102-F105 PolarHBondContact O-N 3.41Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 3.18Å; F105-R108 PolarHBondContact O-N 3Å; F105-I109 HydrophobicContact CD1-CD1 3.88Å; F105-I109 HydrophobicContact CD1-CG1 4.41Å; F105-I109 HydrophobicContact CE1-CD1 3.24Å; F105-I109 HydrophobicContact CE1-CG1 4.13Å; F105-I109 HydrophobicContact CZ-CD1 3.63Å; F105-I109 HydrophobicContact CZ-CG1 4.37Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.34Å
106	A	63.2	Low	67.1	Low	9 Å²	9	56.9 Å²	56.9	7%	0.074	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-46.5	178.9	0	0	0	0	0	112.4	L31 S102 V103 E104 R108 I109 K110	L31-A106 HydrophobicContact CD2-CB 4.05Å; S102-A106 PolarHBondContact O-N 2.86Å; V103-A106 PolarHBondContact O-N 3.48Å; E104-A106 PolarHBondContact O-N 3.18Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.48Å; A106-I109 PolarHBondContact O-N 2.82Å; A106-K110 PolarHBondContact O-N 3.05Å; A106-K110 VanDerWaalsContact O-N 3.08Å
107	I	68.8	Low	67.4	Low	7 Å²	7	51 Å²	51	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-40.5	178.3	-66.7	172.4	0	0	0	110.4	I51 L54 E55 Y58 V103 E104 I109 K110 W111	I51-I107 HydrophobicContact CD1-CD1 3.92Å; I51-I107 HydrophobicContact CG2-CD1 4.28Å; L54-I107 HydrophobicContact CB-CD1 3.5Å; L54-I107 HydrophobicContact CB-CG2 4.35Å; L54-I107 HydrophobicContact CD1-CD1 3.94Å; L54-I107 HydrophobicContact CG-CD1 4.37Å; E55-I107 HydrophobicContact CG-CD1 4.31Å; E55-I107 HydrophobicContact CG-CG2 4.39Å; Y58-I107 HydrophobicContact CD2-CB 4.28Å; Y58-I107 HydrophobicContact CD2-CG2 3.64Å; Y58-I107 HydrophobicContact CE2-CG2 4.48Å; Y58-I107 HydrophobicContact CG-CG2 4.3Å; V103-I107 HydrophobicContact CG1-CD1 3.98Å; V103-I107 WeakPolarHBondContact O-CG1 3.34Å; V103-I107 PolarHBondContact O-N 2.87Å; E104-I107 PolarHBondContact O-N 3.28Å; I107-I109 PolarHBondContact O-N 3.34Å; I107-K110 WeakPolarHBondContact O-CB 3.35Å; I107-K110 PolarHBondContact O-N 3.28Å; I107-W111 PolarHBondContact O-N 3.05Å
108	R	77.8	Confident	67.5	Low	86 Å²	86	49.8 Å²	49.8	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-46.1	174.8	-174.7	170.8	63.4	-137.5	7.8	112.1	Y58 E104 F105 A106 K110 W111 N112	Y58-R108 HydrophobicContact CD1-CB 4.16Å; Y58-R108 HydrophobicContact CD1-CG 4.08Å; Y58-R108 HydrophobicContact CD2-CB 4.45Å; Y58-R108 HydrophobicContact CE1-CB 3.65Å; Y58-R108 HydrophobicContact CE1-CG 3.48Å; Y58-R108 VanDerWaalsContact CE1-CG 3.48Å; Y58-R108 HydrophobicContact CE2-CB 3.93Å; Y58-R108 VanDerWaalsContact CZ-CB 3.49Å; E104-R108 VanDerWaalsContact O-CB 3.28Å; E104-R108 WeakPolarHBondContact O-CB 3.33Å; E104-R108 PolarHBondContact O-N 3.5Å; F105-R108 PolarHBondContact O-N 3Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-R108 PolarHBondContact O-N 3.48Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-K110 PolarHBondContact O-N 3.02Å; R108-W111 PolarHBondContact O-N 3.41Å; R108-N112 WeakPolarHBondContact O-CB 3.34Å; R108-N112 VanDerWaalsContact O-CG 3.32Å; R108-N112 PolarHBondContact O-N 3.48Å; R108-N112 PolarHBondContact O-ND2 3.14Å
109	I	72.8	Confident	68.1	Low	37 Å²	37	44.6 Å²	44.6	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-47.5	177.5	-76.4	-171.8	0	0	0	110.7	Y20 F105 A106 I107 W111 N112 A113	Y20-I109 HydrophobicContact CD1-CG2 3.44Å; Y20-I109 VanDerWaalsContact CD1-CG2 3.44Å; Y20-I109 HydrophobicContact CE1-CG2 4.17Å; Y20-I109 HydrophobicContact CG-CG2 3.93Å; F105-I109 HydrophobicContact CD1-CD1 3.88Å; F105-I109 HydrophobicContact CD1-CG1 4.41Å; F105-I109 HydrophobicContact CE1-CD1 3.24Å; F105-I109 HydrophobicContact CE1-CG1 4.13Å; F105-I109 HydrophobicContact CZ-CD1 3.63Å; F105-I109 HydrophobicContact CZ-CG1 4.37Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.34Å; A106-I109 PolarHBondContact O-N 2.82Å; I107-I109 PolarHBondContact O-N 3.34Å; I109-W111 PolarHBondContact O-N 3.42Å; I109-N112 PolarHBondContact O-N 3.05Å; I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 2.71Å
110	K	71.5	Confident	68	Low	66 Å²	66	43.6 Å²	43.6	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-55.8	-46.1	177.1	172.8	-167.2	171.2	-157.9	0	112.4	E55 A106 I107 R108 A113 R114	E55-K110 IonicContact OE1-NZ 2.73Å; E55-K110 PolarHBondContact OE1-NZ 2.86Å; E55-K110 IonicContact OE2-NZ 2.92Å; E55-K110 PolarHBondContact OE2-NZ 3.21Å; A106-K110 PolarHBondContact O-N 3.05Å; A106-K110 VanDerWaalsContact O-N 3.08Å; I107-K110 WeakPolarHBondContact O-CB 3.35Å; I107-K110 PolarHBondContact O-N 3.28Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-K110 PolarHBondContact O-N 3.02Å; K110-A113 WeakPolarHBondContact O-CB 3.46Å; K110-R114 PolarHBondContact O-N 3.4Å; K110-R114 VanDerWaalsContact O-N 3.14Å
111	W	78.1	Confident	67.3	Low	47 Å²	47	45.7 Å²	45.7	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-75.2	-33.2	-179.2	-79.5	102.9	0	0	0	113.3	E55 A59 W62 I107 R108 I109 R114 L115	E55-W111 PolarHBondContact OE2-NE1 3.17Å; A59-W111 HydrophobicContact CB-CD2 4.5Å; A59-W111 HydrophobicContact CB-CH2 3.58Å; A59-W111 HydrophobicContact CB-CZ2 3.51Å; A59-W111 HydrophobicContact CB-CZ3 4.12Å; W62-W111 HydrophobicContact CB-CD2 4.44Å; W62-W111 HydrophobicContact CB-CE3 3.59Å; W62-W111 HydrophobicContact CB-CZ3 4.15Å; W62-W111 HydrophobicContact CD2-CE3 4.09Å; W62-W111 AromaticContact CD2-CZ3 3.83Å; W62-W111 HydrophobicContact CD2-CZ3 3.83Å; W62-W111 HydrophobicContact CE3-CE3 4.35Å; W62-W111 AromaticContact CE3-CZ3 3.72Å; W62-W111 HydrophobicContact CE3-CZ3 3.72Å; W62-W111 AromaticContact CG-CE3 3.7Å; W62-W111 HydrophobicContact CG-CE3 3.7Å; W62-W111 AromaticContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CG-CZ3 3.97Å; I107-W111 PolarHBondContact O-N 3.05Å; R108-W111 PolarHBondContact O-N 3.41Å; I109-W111 PolarHBondContact O-N 3.42Å; W111-R114 HydrophobicContact CE3-CB 4.39Å; W111-R114 HydrophobicContact CE3-CG 4.35Å; W111-R114 HydrophobicContact CZ3-CG 4.42Å; W111-R114 WeakPolarHBondContact O-CB 3.5Å; W111-R114 PolarHBondContact O-N 2.88Å; W111-L115 PolarHBondContact O-N 3.31Å
112	N	75.8	Confident	66.7	Low	63 Å²	63	44.3 Å²	44.3	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-39.8	171.8	-77.3	-18.7	0	0	0	112.1	R108 I109 R114 L115 N116	R108-N112 WeakPolarHBondContact O-CB 3.34Å; R108-N112 VanDerWaalsContact O-CG 3.32Å; R108-N112 PolarHBondContact O-N 3.48Å; R108-N112 PolarHBondContact O-ND2 3.14Å; I109-N112 PolarHBondContact O-N 3.05Å; N112-R114 VanDerWaalsContact C-N 3.28Å; N112-R114 PolarHBondContact O-N 2.9Å; N112-L115 WeakPolarHBondContact O-CB 3.47Å; N112-L115 PolarHBondContact O-N 3.07Å; N112-N116 PolarHBondContact O-N 3.21Å; N112-N116 PolarHBondContact O-ND2 2.88Å
113	A	58.9	Low	66.8	Low	7 Å²	7	50.9 Å²	50.9	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-47.1	171.3	0	0	0	0	0	111.4	Y20 I109 K110 L115 N116 F117	Y20-A113 HydrophobicContact CD2-CB 3.58Å; Y20-A113 HydrophobicContact CE1-CB 4.07Å; Y20-A113 HydrophobicContact CE2-CB 3.03Å; Y20-A113 HydrophobicContact CG-CB 4.3Å; Y20-A113 WeakPolarHBondContact OH-CA 3.08Å; I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 2.71Å; K110-A113 WeakPolarHBondContact O-CB 3.46Å; A113-L115 PolarHBondContact O-N 3.48Å; A113-N116 PolarHBondContact O-N 3.16Å; A113-F117 PolarHBondContact O-N 2.67Å; A113-F117 VanDerWaalsContact O-N 3.08Å
114	R	66	Low	66	Low	105 Å²	105	55.8 Å²	55.8	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-45	178	-179	62.6	-164.7	-139.6	9	112	K110 W111 N112 N116 F117 D118	K110-R114 PolarHBondContact O-N 3.4Å; K110-R114 VanDerWaalsContact O-N 3.14Å; W111-R114 HydrophobicContact CE3-CB 4.39Å; W111-R114 HydrophobicContact CE3-CG 4.35Å; W111-R114 HydrophobicContact CZ3-CG 4.42Å; W111-R114 WeakPolarHBondContact O-CB 3.5Å; W111-R114 PolarHBondContact O-N 2.88Å; N112-R114 VanDerWaalsContact C-N 3.28Å; N112-R114 PolarHBondContact O-N 2.9Å; R114-N116 VanDerWaalsContact C-N 3.35Å; R114-N116 PolarHBondContact O-N 3.19Å; R114-F117 WeakPolarHBondContact O-CB 3.47Å; R114-F117 PolarHBondContact O-N 2.65Å; R114-D118 IonicContact CZ-OD1 3.68Å; R114-D118 IonicContact CZ-OD2 3.86Å; R114-D118 IonicContact NE-OD1 2.76Å; R114-D118 PolarHBondContact NE-OD1 2.98Å; R114-D118 IonicContact NE-OD2 2.66Å; R114-D118 PolarHBondContact NE-OD2 3.34Å; R114-D118 IonicContact NH2-OD1 2.63Å; R114-D118 PolarHBondContact NH2-OD1 3.4Å; R114-D118 IonicContact NH2-OD2 3.44Å; R114-D118 PolarHBondContact O-N 3.49Å
115	L	72.4	Confident	64.7	Low	16 Å²	16	58.8 Å²	58.8	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-50.4	176.1	-179.2	59.8	0	0	0	111.1	W62 D65 L66 W111 N112 A113 F117 D118 L119	W62-L115 VanDerWaalsContact CD1-CA 3.49Å; D65-L115 HydrophobicContact CB-CD1 4.16Å; D65-L115 HydrophobicContact CB-CD2 3.69Å; L66-L115 HydrophobicContact CB-CD1 3.89Å; L66-L115 HydrophobicContact CD1-CD1 4.47Å; W111-L115 PolarHBondContact O-N 3.31Å; N112-L115 WeakPolarHBondContact O-CB 3.47Å; N112-L115 PolarHBondContact O-N 3.07Å; A113-L115 PolarHBondContact O-N 3.48Å; L115-F117 VanDerWaalsContact C-N 3.29Å; L115-F117 PolarHBondContact O-N 3.12Å; L115-D118 PolarHBondContact O-N 2.8Å; L115-L119 HydrophobicContact CD1-CD1 3.99Å; L115-L119 HydrophobicContact CD1-CG 4.06Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.35Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.36Å
116	N	68.1	Low	64.2	Low	93 Å²	93	59.1 Å²	59.1	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-40.7	-179.8	-70.9	-29.3	0	0	0	112.1	N112 A113 R114 A120	N112-N116 PolarHBondContact O-N 3.21Å; N112-N116 PolarHBondContact O-ND2 2.88Å; A113-N116 PolarHBondContact O-N 3.16Å; R114-N116 VanDerWaalsContact C-N 3.35Å; R114-N116 PolarHBondContact O-N 3.19Å; N116-A120 WeakPolarHBondContact O-CB 3.39Å; N116-A120 PolarHBondContact O-N 3.01Å
117	F	56.9	Low	63.8	Low	61 Å²	61	62.3 Å²	62.3	27%	0.268	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-50.5	175.7	166.4	-109.2	0	0	0	112.6	A113 R114 L115 L119 A120 T121 L258 L261	A113-F117 PolarHBondContact O-N 2.67Å; A113-F117 VanDerWaalsContact O-N 3.08Å; R114-F117 WeakPolarHBondContact O-CB 3.47Å; R114-F117 PolarHBondContact O-N 2.65Å; L115-F117 VanDerWaalsContact C-N 3.29Å; L115-F117 PolarHBondContact O-N 3.12Å; F117-L119 VanDerWaalsContact C-N 3.28Å; F117-L119 PolarHBondContact O-N 3.49Å; F117-A120 PolarHBondContact O-N 3.45Å; F117-T121 WeakPolarHBondContact CE2-OG1 3.36Å; F117-T121 WeakPolarHBondContact CZ-OG1 3.49Å; F117-T121 WeakPolarHBondContact O-CB 3.46Å; F117-T121 PolarHBondContact O-N 3.39Å; F117-T121 PolarHBondContact O-OG1 2.84Å; F117-L258 HydrophobicContact CD2-CD2 3.23Å; F117-L258 HydrophobicContact CE2-CD2 2.95Å; F117-L258 HydrophobicContact CE2-CG 4.3Å; F117-L258 HydrophobicContact CG-CD2 4.42Å; F117-L258 HydrophobicContact CZ-CD2 3.94Å; F117-L261 HydrophobicContact CB-CD1 4.41Å
118	D	61.7	Low	62.8	Low	20 Å²	20	66.5 Å²	66.5	11%	0.107	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-32.8	-177.6	-66.3	-49.5	0	0	0	111.4	W62 L66 R114 L115 N122	W62-D118 VanDerWaalsContact CE2-OD2 3.27Å; W62-D118 WeakPolarHBondContact CZ2-OD2 3.48Å; W62-D118 PolarHBondContact NE1-OD2 3.27Å; L66-D118 HydrophobicContact CD1-CB 3.85Å; L66-D118 HydrophobicContact CD2-CB 4.29Å; R114-D118 IonicContact CZ-OD1 3.68Å; R114-D118 IonicContact CZ-OD2 3.86Å; R114-D118 IonicContact NE-OD1 2.76Å; R114-D118 PolarHBondContact NE-OD1 2.98Å; R114-D118 IonicContact NE-OD2 2.66Å; R114-D118 PolarHBondContact NE-OD2 3.34Å; R114-D118 IonicContact NH2-OD1 2.63Å; R114-D118 PolarHBondContact NH2-OD1 3.4Å; R114-D118 IonicContact NH2-OD2 3.44Å; R114-D118 PolarHBondContact O-N 3.49Å; L115-D118 PolarHBondContact O-N 2.8Å; D118-N122 WeakPolarHBondContact O-CB 3.45Å; D118-N122 PolarHBondContact O-N 3.12Å; D118-N122 PolarHBondContact O-ND2 3.5Å
119	L	67.9	Low	61.6	Low	42 Å²	42	64.9 Å²	64.9	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-45	173.5	-69	178.8	0	0	0	112.6	L66 N69 I70 L115 F117 T121 N122 K123	L66-L119 HydrophobicContact CD1-CD2 3.83Å; L66-L119 HydrophobicContact CD1-CG 4.35Å; N69-L119 HydrophobicContact CB-CD2 3.36Å; I70-L119 HydrophobicContact CG2-CD2 4.44Å; L115-L119 HydrophobicContact CD1-CD1 3.99Å; L115-L119 HydrophobicContact CD1-CG 4.06Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.35Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.36Å; F117-L119 VanDerWaalsContact C-N 3.28Å; F117-L119 PolarHBondContact O-N 3.49Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.07Å; L119-N122 PolarHBondContact O-N 2.75Å; L119-K123 WeakPolarHBondContact O-CB 3.37Å; L119-K123 PolarHBondContact O-N 2.95Å
120	A	56.1	Low	60.8	Low	37 Å²	37	66.1 Å²	66.1	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-42.3	176	0	0	0	0	0	111.2	N116 F117 K123 Y124	N116-A120 WeakPolarHBondContact O-CB 3.39Å; N116-A120 PolarHBondContact O-N 3.01Å; F117-A120 PolarHBondContact O-N 3.45Å; A120-K123 PolarHBondContact O-N 3.13Å; A120-Y124 PolarHBondContact O-N 3.22Å
121	T	51.2	Low	59.7	Low	49 Å²	49	65.7 Å²	65.7	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-47.4	175.8	-59	0	0	0	0	111.5	F117 L119 K123 Y124 L125	F117-T121 WeakPolarHBondContact CE2-OG1 3.36Å; F117-T121 WeakPolarHBondContact CZ-OG1 3.49Å; F117-T121 WeakPolarHBondContact O-CB 3.46Å; F117-T121 PolarHBondContact O-N 3.39Å; F117-T121 PolarHBondContact O-OG1 2.84Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.07Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 2.87Å; T121-Y124 PolarHBondContact O-N 3.36Å; T121-L125 HydrophobicContact CG2-CD1 4.16Å; T121-L125 HydrophobicContact CG2-CG 4.49Å; T121-L125 WeakPolarHBondContact O-CG 3.33Å; T121-L125 PolarHBondContact O-N 2.95Å
122	N	56.4	Low	58.3	Low	68 Å²	68	71.4 Å²	71.4	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-43.2	176.1	-101.7	-64	0	0	0	112.2	I70 D118 L119 Y124 L125 S126	I70-N122 HydrophobicContact CG2-CB 4.18Å; D118-N122 WeakPolarHBondContact O-CB 3.45Å; D118-N122 PolarHBondContact O-N 3.12Å; D118-N122 PolarHBondContact O-ND2 3.5Å; L119-N122 PolarHBondContact O-N 2.75Å; N122-Y124 VanDerWaalsContact C-N 3.35Å; N122-Y124 PolarHBondContact O-N 3.43Å; N122-L125 PolarHBondContact O-N 3.34Å; N122-S126 WeakPolarHBondContact O-CB 3.45Å; N122-S126 PolarHBondContact O-N 3.36Å
123	K	64.9	Low	57	Low	147 Å²	147	75 Å²	75	64%	0.639	40%	0.395	S	S	*	.	H	α-helix	trans	-59.6	-46.2	176	-175.3	179.5	178.8	-176.7	0	111.1	L119 A120 T121 S126 M127	L119-K123 WeakPolarHBondContact O-CB 3.37Å; L119-K123 PolarHBondContact O-N 2.95Å; A120-K123 PolarHBondContact O-N 3.13Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 2.87Å; K123-S126 PolarHBondContact O-N 2.83Å; K123-M127 HydrophobicContact CG-SD 4.17Å; K123-M127 WeakPolarHBondContact O-CB 3.21Å; K123-M127 VanDerWaalsContact O-CG 3.27Å; K123-M127 WeakPolarHBondContact O-CG 3.47Å; K123-M127 PolarHBondContact O-N 2.84Å
124	Y	50.4	Low	56.2	Low	104 Å²	104	77.5 Å²	77.5	41%	0.408	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-47.9	177	173.8	-102.3	0	0	0	112.3	A120 T121 N122 S126 M127 L128 L251	A120-Y124 PolarHBondContact O-N 3.22Å; T121-Y124 PolarHBondContact O-N 3.36Å; N122-Y124 VanDerWaalsContact C-N 3.35Å; N122-Y124 PolarHBondContact O-N 3.43Å; Y124-S126 VanDerWaalsContact C-N 3.34Å; Y124-S126 PolarHBondContact O-N 3.04Å; Y124-M127 WeakPolarHBondContact O-CB 3.47Å; Y124-M127 PolarHBondContact O-N 3.41Å; Y124-L128 WeakPolarHBondContact O-CB 3.36Å; Y124-L128 PolarHBondContact O-N 2.68Å; Y124-L251 HydrophobicContact CD2-CD1 3.64Å; Y124-L251 HydrophobicContact CE2-CD1 3.23Å; Y124-L251 HydrophobicContact CG-CD1 4.49Å
125	L	49.4	Very low	55.1	Low	93 Å²	93	77 Å²	77	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-40.5	179.2	-69.3	174.8	0	0	0	112.2	T121 N122 L128 A129	T121-L125 HydrophobicContact CG2-CD1 4.16Å; T121-L125 HydrophobicContact CG2-CG 4.49Å; T121-L125 WeakPolarHBondContact O-CG 3.33Å; T121-L125 PolarHBondContact O-N 2.95Å; N122-L125 PolarHBondContact O-N 3.34Å; L125-L128 PolarHBondContact O-N 3.26Å; L125-A129 WeakPolarHBondContact O-CB 3.37Å; L125-A129 PolarHBondContact O-N 2.81Å
126	S	59.1	Low	53.4	Low	85 Å²	85	80 Å²	80	59%	0.594	44%	0.44	S	S	*	.	H	α-helix	trans	-65.8	-40.7	176.7	-156.6	0	0	0	0	111.5	N122 K123 Y124 A129 S130	N122-S126 WeakPolarHBondContact O-CB 3.45Å; N122-S126 PolarHBondContact O-N 3.36Å; K123-S126 PolarHBondContact O-N 2.83Å; Y124-S126 VanDerWaalsContact C-N 3.34Å; Y124-S126 PolarHBondContact O-N 3.04Å; S126-A129 PolarHBondContact O-N 3.09Å; S126-S130 PolarHBondContact O-N 3.05Å
127	M	54.8	Low	51.8	Low	75 Å²	75	79.1 Å²	79.1	37%	0.369	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-48.7	172.1	-74.5	178.6	69	0	0	111.6	K123 Y124 A129 S130 T131 Y247	K123-M127 HydrophobicContact CG-SD 4.17Å; K123-M127 WeakPolarHBondContact O-CB 3.21Å; K123-M127 VanDerWaalsContact O-CG 3.27Å; K123-M127 WeakPolarHBondContact O-CG 3.47Å; K123-M127 PolarHBondContact O-N 2.84Å; Y124-M127 WeakPolarHBondContact O-CB 3.47Å; Y124-M127 PolarHBondContact O-N 3.41Å; M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.25Å; M127-S130 CarbonylContact O-C 3.48Å; M127-S130 WeakPolarHBondContact O-CA 3.36Å; M127-S130 WeakPolarHBondContact O-CB 3.45Å; M127-S130 PolarHBondContact O-N 3.25Å; M127-S130 PolarHBondContact O-OG 3.37Å; M127-T131 PolarHBondContact O-N 3.5Å; M127-T131 PolarHBondContact O-OG1 2.98Å; M127-Y247 HydrophobicContact CE-CD1 4.42Å; M127-Y247 HydrophobicContact CE-CE1 3.71Å
128	L	48.1	Very low	50.9	Low	96 Å²	96	80 Å²	80	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-56.1	-44.5	176.8	-166.4	94	0	0	0	111.8	Y124 L125 S130 T131 K132	Y124-L128 WeakPolarHBondContact O-CB 3.36Å; Y124-L128 PolarHBondContact O-N 2.68Å; L125-L128 PolarHBondContact O-N 3.26Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.3Å; L128-T131 PolarHBondContact O-N 3.44Å; L128-K132 WeakPolarHBondContact O-CB 3.3Å; L128-K132 PolarHBondContact O-N 3.42Å
129	A	53.1	Low	49.8	Very low	52 Å²	52	82.3 Å²	82.3	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-62	-42.1	175.6	0	0	0	0	0	111.6	L125 S126 M127 K132 N133	L125-A129 WeakPolarHBondContact O-CB 3.37Å; L125-A129 PolarHBondContact O-N 2.81Å; S126-A129 PolarHBondContact O-N 3.09Å; M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.25Å; A129-K132 PolarHBondContact O-N 2.8Å; A129-N133 PolarHBondContact O-N 3.3Å; A129-N133 PolarHBondContact O-ND2 2.91Å
130	S	55.2	Low	48.5	Very low	63 Å²	63	82.7 Å²	82.7	44%	0.441	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-40.2	175.8	76.7	0	0	0	0	113.1	S126 M127 L128 K132 N133 S134	S126-S130 PolarHBondContact O-N 3.05Å; M127-S130 CarbonylContact O-C 3.48Å; M127-S130 WeakPolarHBondContact O-CA 3.36Å; M127-S130 WeakPolarHBondContact O-CB 3.45Å; M127-S130 PolarHBondContact O-N 3.25Å; M127-S130 PolarHBondContact O-OG 3.37Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.3Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 3.17Å; S130-N133 CarbonylContact O-C 3.5Å; S130-N133 WeakPolarHBondContact O-CA 3.41Å; S130-N133 PolarHBondContact O-N 3.11Å; S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.12Å; S130-S134 PolarHBondContact O-OG 3.37Å
131	T	48.9	Very low	47.8	Very low	57 Å²	57	87 Å²	87	35%	0.35	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-37	178.9	-56.2	0	0	0	0	111.4	M127 L128 N133 S134 L136	M127-T131 PolarHBondContact O-N 3.5Å; M127-T131 PolarHBondContact O-OG1 2.98Å; L128-T131 PolarHBondContact O-N 3.44Å; T131-N133 PolarHBondContact O-N 2.66Å; T131-S134 WeakPolarHBondContact CA-OG 3.3Å; T131-S134 PolarHBondContact O-N 3.44Å; T131-L136 HydrophobicContact CG2-CD1 3.95Å
132	K	48.2	Very low	47.5	Very low	166 Å²	166	87.5 Å²	87.5	72%	0.722	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-28.4	172.7	-164.4	172.9	-177.5	177.1	0	112.3	L128 A129 S130	L128-K132 WeakPolarHBondContact O-CB 3.3Å; L128-K132 PolarHBondContact O-N 3.42Å; A129-K132 PolarHBondContact O-N 2.8Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 3.17Å
133	N	49.9	Very low	47.1	Very low	139 Å²	139	87 Å²	87	74%	0.743	50%	0.495	S	S	*	.	H	α-helix	trans	-89.7	-25.4	176.8	-67.7	-18.2	0	0	0	113.4	A129 S130 T131 S135	A129-N133 PolarHBondContact O-N 3.3Å; A129-N133 PolarHBondContact O-ND2 2.91Å; S130-N133 CarbonylContact O-C 3.5Å; S130-N133 WeakPolarHBondContact O-CA 3.41Å; S130-N133 PolarHBondContact O-N 3.11Å; T131-N133 PolarHBondContact O-N 2.66Å; N133-S135 PolarHBondContact O-N 3.31Å
134	S	41.6	Very low	46	Very low	59 Å²	59	85.2 Å²	85.2	41%	0.413	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	64.7	-173	65.9	0	0	0	0	113.9	S130 T131 L136	S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.12Å; S130-S134 PolarHBondContact O-OG 3.37Å; T131-S134 WeakPolarHBondContact CA-OG 3.3Å; T131-S134 PolarHBondContact O-N 3.44Å; S134-L136 PolarHBondContact O-N 3.48Å
135	S	42.2	Very low	45.9	Very low	96 Å²	96	85.6 Å²	85.6	67%	0.671	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	-4	158	74.4	0	0	0	0	120.4	N133 T137 A138	N133-S135 PolarHBondContact O-N 3.31Å; S135-T137 PolarHBondContact O-N 2.79Å; S135-T137 VanDerWaalsContact O-N 3.16Å; S135-A138 PolarHBondContact O-N 2.97Å
136	L	36.3	Very low	46	Very low	78 Å²	78	85.3 Å²	85.3	41%	0.408	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-14.4	176.9	-99.8	146.4	0	0	0	112.6	T131 S134	T131-L136 HydrophobicContact CG2-CD1 3.95Å; S134-L136 PolarHBondContact O-N 3.48Å
137	T	35.5	Very low	45.7	Very low	75 Å²	75	82.7 Å²	82.7	46%	0.46	47%	0.471	S	S	.	.	H	α-helix	trans	-69.4	-28.6	174.7	43.7	0	0	0	0	113.2	S135 E141	S135-T137 PolarHBondContact O-N 2.79Å; S135-T137 VanDerWaalsContact O-N 3.16Å; T137-E141 WeakPolarHBondContact O-CB 3.39Å; T137-E141 WeakPolarHBondContact O-CG 3.33Å; T137-E141 PolarHBondContact O-N 3.39Å
138	A	38	Very low	45.6	Very low	79 Å²	79	81.9 Å²	81.9	65%	0.653	46%	0.464	S	S	*	.	H	α-helix	trans	-80.6	-35.8	-170.8	0	0	0	0	0	114.3	S135	S135-A138 PolarHBondContact O-N 2.97Å
139	S	39.5	Very low	46.1	Very low	69 Å²	69	84.5 Å²	84.5	48%	0.483	47%	0.471	S	S	.	.	H	α-helix	trans	-84.9	-39	179.9	65.9	0	0	0	0	112.7	S142 V143	S139-S142 WeakPolarHBondContact O-CB 3.27Å; S139-S142 PolarHBondContact O-N 2.74Å; S139-V143 PolarHBondContact O-N 2.72Å
140	N	38.9	Very low	46.4	Very low	49 Å²	49	86 Å²	86	26%	0.262	48%	0.479	S	S	.	.	H	α-helix	trans	-75.5	-39.6	-174.4	-74	-2.6	0	0	0	112.4	S142 V143 E144	N140-S142 PolarHBondContact O-N 3.31Å; N140-S142 VanDerWaalsContact O-N 3.09Å; N140-V143 PolarHBondContact O-N 3.05Å; N140-E144 WeakPolarHBondContact O-CB 3.35Å; N140-E144 PolarHBondContact O-N 3.02Å
141	E	41.9	Very low	47	Very low	127 Å²	127	85.3 Å²	85.3	59%	0.593	47%	0.47	S	S	*	.	H	α-helix	trans	-59.9	-23	172.4	-79.9	-171.4	-175.6	0	0	112.5	T137 K145	T137-E141 WeakPolarHBondContact O-CB 3.39Å; T137-E141 WeakPolarHBondContact O-CG 3.33Å; T137-E141 PolarHBondContact O-N 3.39Å; E141-K145 WeakPolarHBondContact O-CB 3.49Å
142	S	45.8	Very low	48.2	Very low	60 Å²	60	86.8 Å²	86.8	42%	0.42	48%	0.481	S	S	.	.	H	α-helix	trans	-80	-49.3	175.6	-175.9	0	0	0	0	111.4	S139 N140 N146	S139-S142 WeakPolarHBondContact O-CB 3.27Å; S139-S142 PolarHBondContact O-N 2.74Å; N140-S142 PolarHBondContact O-N 3.31Å; N140-S142 VanDerWaalsContact O-N 3.09Å; S142-N146 VanDerWaalsContact O-CB 3.26Å; S142-N146 WeakPolarHBondContact O-CB 3.16Å; S142-N146 PolarHBondContact O-N 3.36Å; S142-N146 PolarHBondContact O-ND2 2.94Å
143	V	47.3	Very low	49.5	Very low	57 Å²	57	85.4 Å²	85.4	35%	0.345	48%	0.475	S	S	.	.	H	α-helix	trans	-69.8	-48.8	-175.2	177.8	0	0	0	0	111.7	S139 N140 N146 L147 L233	S139-V143 PolarHBondContact O-N 2.72Å; N140-V143 PolarHBondContact O-N 3.05Å; V143-N146 PolarHBondContact O-N 2.81Å; V143-L147 HydrophobicContact CG1-CD1 4.23Å; V143-L147 PolarHBondContact O-N 3.36Å; V143-L233 HydrophobicContact CG1-CD2 4.15Å
144	E	42.1	Very low	50.5	Low	110 Å²	110	79 Å²	79	51%	0.514	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-52.6	175.7	-108.2	-165.1	114.4	0	0	110.3	N140 N146 L147 W148	N140-E144 WeakPolarHBondContact O-CB 3.35Å; N140-E144 PolarHBondContact O-N 3.02Å; E144-N146 PolarHBondContact O-N 3.23Å; E144-N146 VanDerWaalsContact O-N 3.14Å; E144-L147 WeakPolarHBondContact O-CB 3.44Å; E144-L147 PolarHBondContact O-N 2.91Å; E144-W148 VanDerWaalsContact C-CD1 3.41Å; E144-W148 WeakPolarHBondContact O-CB 3.47Å; E144-W148 PolarHBondContact O-N 3.39Å; E144-W148 PolarHBondContact OE1-NE1 2.93Å
145	K	48.6	Very low	51.7	Low	112 Å²	112	80.1 Å²	80.1	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-29.8	-176.7	-164.9	176.6	-163.9	168.5	0	111.8	E141 K149	E141-K145 WeakPolarHBondContact O-CB 3.49Å; K145-K149 HydrophobicContact CG-CD 4.04Å; K145-K149 HydrophobicContact CG-CG 4.42Å; K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CD 3.11Å; K145-K149 WeakPolarHBondContact O-CG 3.27Å; K145-K149 PolarHBondContact O-N 3.48Å
146	N	51.5	Low	53.6	Low	88 Å²	88	80.6 Å²	80.6	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-73.9	-41.8	173.3	-71.3	-24.5	0	0	0	112.4	S142 V143 E144 S150	S142-N146 VanDerWaalsContact O-CB 3.26Å; S142-N146 WeakPolarHBondContact O-CB 3.16Å; S142-N146 PolarHBondContact O-N 3.36Å; S142-N146 PolarHBondContact O-ND2 2.94Å; V143-N146 PolarHBondContact O-N 2.81Å; E144-N146 PolarHBondContact O-N 3.23Å; E144-N146 VanDerWaalsContact O-N 3.14Å; N146-S150 WeakPolarHBondContact O-CB 3.44Å; N146-S150 PolarHBondContact O-N 2.63Å; N146-S150 VanDerWaalsContact O-N 3.08Å; N146-S150 PolarHBondContact O-OG 2.91Å
147	L	52.8	Low	55.4	Low	29 Å²	29	78.4 Å²	78.4	15%	0.152	42%	0.422	C	S	.	.	H	α-helix	trans	-61.6	-49.6	174.5	-100	153.9	0	0	0	111.8	V143 E144 S150 N151 L233	V143-L147 HydrophobicContact CG1-CD1 4.23Å; V143-L147 PolarHBondContact O-N 3.36Å; E144-L147 WeakPolarHBondContact O-CB 3.44Å; E144-L147 PolarHBondContact O-N 2.91Å; L147-S150 PolarHBondContact O-N 2.73Å; L147-N151 WeakPolarHBondContact O-CB 3.09Å; L147-N151 PolarHBondContact O-N 3.42Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 3.45Å; L147-L233 HydrophobicContact CD1-CD1 4.4Å; L147-L233 HydrophobicContact CD1-CD2 3.96Å; L147-L233 HydrophobicContact CD2-CD1 4.13Å; L147-L233 HydrophobicContact CG-CD1 4.29Å; L147-L233 HydrophobicContact CG-CD2 4.44Å
148	W	51.4	Low	57.3	Low	59 Å²	59	76.9 Å²	76.9	22%	0.223	41%	0.41	C	S	.	.	H	α-helix	trans	-67.8	-43.5	-179.8	-65.3	116.5	0	0	0	112.7	E144 S150 N151 L154 H155 Q158	E144-W148 VanDerWaalsContact C-CD1 3.41Å; E144-W148 WeakPolarHBondContact O-CB 3.47Å; E144-W148 PolarHBondContact O-N 3.39Å; E144-W148 PolarHBondContact OE1-NE1 2.93Å; W148-S150 VanDerWaalsContact C-N 3.29Å; W148-S150 PolarHBondContact O-N 2.92Å; W148-N151 PolarHBondContact O-N 3.22Å; W148-L154 HydrophobicContact CD2-CD2 4.17Å; W148-L154 HydrophobicContact CE3-CD2 3.65Å; W148-L154 HydrophobicContact CE3-CG 4.27Å; W148-L154 HydrophobicContact CH2-CD2 3.8Å; W148-L154 HydrophobicContact CH2-CG 4.33Å; W148-L154 HydrophobicContact CZ2-CD2 4.32Å; W148-L154 HydrophobicContact CZ3-CB 4.35Å; W148-L154 HydrophobicContact CZ3-CD2 3.45Å; W148-L154 VanDerWaalsContact CZ3-CD2 3.45Å; W148-L154 HydrophobicContact CZ3-CG 3.79Å; W148-H155 HydrophobicContact CE3-CB 4.12Å; W148-Q158 HydrophobicContact CH2-CB 3.71Å; W148-Q158 HydrophobicContact CH2-CG 3.72Å; W148-Q158 HydrophobicContact CZ3-CB 3.57Å; W148-Q158 HydrophobicContact CZ3-CG 4.03Å
149	K	58.5	Low	59.3	Low	150 Å²	150	75.9 Å²	75.9	65%	0.652	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-33.3	176.5	-79.1	176.3	174.4	-178.5	0	112.6	K145	K145-K149 HydrophobicContact CG-CD 4.04Å; K145-K149 HydrophobicContact CG-CG 4.42Å; K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CD 3.11Å; K145-K149 WeakPolarHBondContact O-CG 3.27Å; K145-K149 PolarHBondContact O-N 3.48Å
150	S	61.2	Low	61.3	Low	85 Å²	85	76.5 Å²	76.5	59%	0.594	39%	0.389	S	S	*	.	H	α-helix	trans	-83.4	-18.8	-177.1	-53.4	0	0	0	0	112.8	N146 L147 W148 P152	N146-S150 WeakPolarHBondContact O-CB 3.44Å; N146-S150 PolarHBondContact O-N 2.63Å; N146-S150 VanDerWaalsContact O-N 3.08Å; N146-S150 PolarHBondContact O-OG 2.91Å; L147-S150 PolarHBondContact O-N 2.73Å; W148-S150 VanDerWaalsContact C-N 3.29Å; W148-S150 PolarHBondContact O-N 2.92Å; S150-P152 WeakPolarHBondContact O-CD 3.45Å
151	N	66.7	Low	63.1	Low	48 Å²	48	74.3 Å²	74.3	26%	0.257	38%	0.377	S	S	.	.			trans	-125.3	78.2	-176.4	-65.5	-73.2	0	0	0	111.6	L147 W148 K153 L154 H155	L147-N151 WeakPolarHBondContact O-CB 3.09Å; L147-N151 PolarHBondContact O-N 3.42Å; L147-N151 VanDerWaalsContact O-N 3.12Å; L147-N151 PolarHBondContact O-ND2 3.45Å; W148-N151 PolarHBondContact O-N 3.22Å; N151-K153 PolarHBondContact O-N 3.39Å; N151-K153 VanDerWaalsContact O-N 3.09Å; N151-L154 HydrophobicContact CB-CB 3.92Å; N151-L154 WeakPolarHBondContact O-CB 3.44Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-H155 PolarHBondContact O-N 2.94Å
152	P	74.1	Confident	64.9	Low	88 Å²	88	71.6 Å²	71.6	57%	0.571	37%	0.367	S	S	*	.	H	α-helix	trans	-57.7	-27.6	178.1	22.3	-33.1	0	0	0	112.9	S150 H155 N156	S150-P152 WeakPolarHBondContact O-CD 3.45Å; P152-H155 PolarHBondContact O-N 2.91Å; P152-N156 PolarHBondContact O-N 3.11Å; P152-N156 PolarHBondContact O-OD1 3.38Å
153	K	76.4	Confident	66.7	Low	136 Å²	136	74.9 Å²	74.9	59%	0.591	38%	0.375	S	S	*	.	H	α-helix	trans	-62.8	-46.7	174.1	-170.9	-176.9	176.9	-169.6	0	112.1	N151 H155 N156 M157	N151-K153 PolarHBondContact O-N 3.39Å; N151-K153 VanDerWaalsContact O-N 3.09Å; K153-H155 VanDerWaalsContact C-N 3.32Å; K153-H155 PolarHBondContact O-N 3.47Å; K153-N156 PolarHBondContact O-N 3.44Å; K153-M157 HydrophobicContact CG-SD 4.15Å; K153-M157 VanDerWaalsContact O-CG 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.45Å; K153-M157 PolarHBondContact O-N 2.65Å
154	L	69.5	Low	68.2	Low	4 Å²	4	72.5 Å²	72.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-43.9	178.1	-165.1	94.5	0	0	0	110.2	W148 N151 N156 M157 Q158 L219 V222 H223 L226	W148-L154 HydrophobicContact CD2-CD2 4.17Å; W148-L154 HydrophobicContact CE3-CD2 3.65Å; W148-L154 HydrophobicContact CE3-CG 4.27Å; W148-L154 HydrophobicContact CH2-CD2 3.8Å; W148-L154 HydrophobicContact CH2-CG 4.33Å; W148-L154 HydrophobicContact CZ2-CD2 4.32Å; W148-L154 HydrophobicContact CZ3-CB 4.35Å; W148-L154 HydrophobicContact CZ3-CD2 3.45Å; W148-L154 VanDerWaalsContact CZ3-CD2 3.45Å; W148-L154 HydrophobicContact CZ3-CG 3.79Å; N151-L154 HydrophobicContact CB-CB 3.92Å; N151-L154 WeakPolarHBondContact O-CB 3.44Å; N151-L154 PolarHBondContact O-N 3.33Å; L154-N156 PolarHBondContact O-N 3.1Å; L154-M157 PolarHBondContact O-N 3.35Å; L154-Q158 PolarHBondContact O-N 3.25Å; L154-L219 HydrophobicContact CD1-CD1 3.86Å; L154-L219 HydrophobicContact CG-CD1 4.02Å; L154-V222 HydrophobicContact CD1-CG1 3.87Å; L154-H223 HydrophobicContact CD1-CB 4.48Å; L154-L226 HydrophobicContact CD1-CD1 4.02Å
155	H	68.4	Low	70	Confident	84 Å²	84	73.3 Å²	73.3	39%	0.389	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-43.8	177.8	-171.8	59	0	0	0	112.6	W148 N151 P152 K153 M157 Q158 N159	W148-H155 HydrophobicContact CE3-CB 4.12Å; N151-H155 PolarHBondContact O-N 2.94Å; P152-H155 PolarHBondContact O-N 2.91Å; K153-H155 VanDerWaalsContact C-N 3.32Å; K153-H155 PolarHBondContact O-N 3.47Å; H155-M157 PolarHBondContact O-N 3.2Å; H155-Q158 PolarHBondContact O-N 2.94Å; H155-N159 PolarHBondContact CD2-ND2 3.31Å; H155-N159 PolarHBondContact NE2-ND2 3.49Å; H155-N159 VanDerWaalsContact NE2-ND2 3.17Å; H155-N159 VanDerWaalsContact O-CG 3.27Å; H155-N159 PolarHBondContact O-N 3.33Å; H155-N159 PolarHBondContact O-ND2 2.65Å
156	N	80.4	Confident	71.4	Confident	106 Å²	106	70.4 Å²	70.4	57%	0.567	36%	0.356	S	S	*	.	H	α-helix	trans	-63.3	-41.2	176.4	-70.5	-10.6	0	0	0	112.1	P152 K153 L154 N159 E160	P152-N156 PolarHBondContact O-N 3.11Å; P152-N156 PolarHBondContact O-OD1 3.38Å; K153-N156 PolarHBondContact O-N 3.44Å; L154-N156 PolarHBondContact O-N 3.1Å; N156-N159 PolarHBondContact O-N 3.33Å; N156-E160 PolarHBondContact O-N 2.78Å
157	M	75.5	Confident	72.9	Confident	31 Å²	31	70.3 Å²	70.3	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-40.5	177.6	-67.9	172.3	80.6	0	0	111.8	K153 L154 H155 N159 E160 V161 N218 L219 V222	K153-M157 HydrophobicContact CG-SD 4.15Å; K153-M157 VanDerWaalsContact O-CG 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.45Å; K153-M157 PolarHBondContact O-N 2.65Å; L154-M157 PolarHBondContact O-N 3.35Å; H155-M157 PolarHBondContact O-N 3.2Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.01Å; M157-E160 PolarHBondContact O-N 3.37Å; M157-V161 WeakPolarHBondContact O-CG2 3.18Å; M157-V161 PolarHBondContact O-N 2.69Å; M157-N218 VanDerWaalsContact CE-C 3.46Å; M157-N218 HydrophobicContact CE-CB 3.62Å; M157-N218 WeakPolarHBondContact CE-O 3.43Å; M157-L219 HydrophobicContact CB-CD1 3.89Å; M157-V222 HydrophobicContact CE-CG2 4.13Å; M157-V222 HydrophobicContact SD-CG2 4.12Å
158	Q	74.6	Confident	74	Confident	44 Å²	44	71 Å²	71	21%	0.206	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-40.3	174.4	-177	62.7	62	0	0	112.2	W148 L154 H155 V161 N162	W148-Q158 HydrophobicContact CH2-CB 3.71Å; W148-Q158 HydrophobicContact CH2-CG 3.72Å; W148-Q158 HydrophobicContact CZ3-CB 3.57Å; W148-Q158 HydrophobicContact CZ3-CG 4.03Å; L154-Q158 PolarHBondContact O-N 3.25Å; H155-Q158 PolarHBondContact O-N 2.94Å; Q158-V161 PolarHBondContact O-N 3.36Å; Q158-N162 PolarHBondContact NE2-OD1 3.12Å; Q158-N162 VanDerWaalsContact NE2-OD1 3.09Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.34Å; Q158-N162 PolarHBondContact O-ND2 2.93Å
159	N	80.9	Confident	75.3	Confident	58 Å²	58	75.7 Å²	75.7	31%	0.31	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.5	-69.7	-21.4	0	0	0	110.9	H155 N156 M157 V161 N162 E163	H155-N159 PolarHBondContact CD2-ND2 3.31Å; H155-N159 PolarHBondContact NE2-ND2 3.49Å; H155-N159 VanDerWaalsContact NE2-ND2 3.17Å; H155-N159 VanDerWaalsContact O-CG 3.27Å; H155-N159 PolarHBondContact O-N 3.33Å; H155-N159 PolarHBondContact O-ND2 2.65Å; N156-N159 PolarHBondContact O-N 3.33Å; M157-N159 VanDerWaalsContact C-N 3.34Å; M157-N159 PolarHBondContact O-N 3.01Å; N159-V161 PolarHBondContact O-N 2.82Å; N159-N162 PolarHBondContact O-N 3.28Å; N159-E163 WeakPolarHBondContact O-CG 3.15Å; N159-E163 PolarHBondContact O-N 3.34Å
160	E	81.8	Confident	76.5	Confident	82 Å²	82	72 Å²	72	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-47.3	174.4	-178.6	172.9	-166	0	0	111.7	N156 M157 N162 E163 L164	N156-E160 PolarHBondContact O-N 2.78Å; M157-E160 PolarHBondContact O-N 3.37Å; E160-N162 VanDerWaalsContact C-N 3.29Å; E160-N162 PolarHBondContact O-N 3.03Å; E160-E163 PolarHBondContact O-N 3.46Å; E160-L164 HydrophobicContact CG-CD1 4.18Å; E160-L164 HydrophobicContact CG-CG 4.49Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.34Å; E160-L164 PolarHBondContact O-N 3.31Å
161	V	75.9	Confident	77.1	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-41.5	175.5	168.1	0	0	0	0	111.5	M157 Q158 N159 L164 R165 L212 V216 L219	M157-V161 WeakPolarHBondContact O-CG2 3.18Å; M157-V161 PolarHBondContact O-N 2.69Å; Q158-V161 PolarHBondContact O-N 3.36Å; N159-V161 PolarHBondContact O-N 2.82Å; V161-L164 PolarHBondContact O-N 2.95Å; V161-R165 WeakPolarHBondContact O-CB 3.35Å; V161-R165 VanDerWaalsContact O-CG 3.29Å; V161-R165 WeakPolarHBondContact O-CG 3.27Å; V161-R165 PolarHBondContact O-N 2.97Å; V161-L212 HydrophobicContact CG1-CD1 4.09Å; V161-V216 HydrophobicContact CG1-CG2 3.94Å; V161-V216 HydrophobicContact CG2-CG2 4.17Å; V161-L219 HydrophobicContact CG2-CD2 4.42Å
162	N	79.1	Confident	77.6	Confident	71 Å²	71	69.6 Å²	69.6	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-68	-39.7	178.9	-71.6	-20.7	0	0	0	112.4	Q158 N159 E160 R165 A166	Q158-N162 PolarHBondContact NE2-OD1 3.12Å; Q158-N162 VanDerWaalsContact NE2-OD1 3.09Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.34Å; Q158-N162 PolarHBondContact O-ND2 2.93Å; N159-N162 PolarHBondContact O-N 3.28Å; E160-N162 VanDerWaalsContact C-N 3.29Å; E160-N162 PolarHBondContact O-N 3.03Å; N162-R165 PolarHBondContact O-N 3.39Å; N162-A166 PolarHBondContact O-N 3.03Å
163	E	84.8	Confident	77.8	Confident	128 Å²	128	72 Å²	72	60%	0.598	34%	0.344	S	S	*	.	H	α-helix	trans	-63.5	-46	174.3	-73.8	174.6	-172.1	0	0	111.1	N159 E160 R165 A166 I167	N159-E163 WeakPolarHBondContact O-CG 3.15Å; N159-E163 PolarHBondContact O-N 3.34Å; E160-E163 PolarHBondContact O-N 3.46Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 2.97Å; E163-A166 WeakPolarHBondContact O-CB 3.39Å; E163-A166 PolarHBondContact O-N 2.93Å; E163-A166 VanDerWaalsContact O-N 3.14Å; E163-I167 WeakPolarHBondContact O-CG1 3.26Å; E163-I167 PolarHBondContact O-N 3.2Å
164	L	77.4	Confident	78.1	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-41.5	176	-67.6	173.6	0	0	0	111.9	E160 V161 A166 I167 H168 L208 K211 L212 S215	E160-L164 HydrophobicContact CG-CD1 4.18Å; E160-L164 HydrophobicContact CG-CG 4.49Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.34Å; E160-L164 PolarHBondContact O-N 3.31Å; V161-L164 PolarHBondContact O-N 2.95Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.22Å; L164-I167 PolarHBondContact O-N 2.84Å; L164-H168 WeakPolarHBondContact O-CB 3.43Å; L164-H168 PolarHBondContact O-N 3.38Å; L164-L208 HydrophobicContact CB-CD1 4.46Å; L164-L208 HydrophobicContact CD2-CD1 3.56Å; L164-K211 HydrophobicContact CD1-CD 4.39Å; L164-K211 HydrophobicContact CD1-CG 4.15Å; L164-K211 HydrophobicContact CD2-CD 3.85Å; L164-K211 HydrophobicContact CD2-CG 4.38Å; L164-L212 HydrophobicContact CB-CD1 3.81Å; L164-L212 HydrophobicContact CD1-CD1 4.37Å; L164-S215 WeakPolarHBondContact CD1-OG 3.01Å
165	R	80.1	Confident	78.5	Confident	126 Å²	126	69.8 Å²	69.8	48%	0.475	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-37.3	174.7	-76.6	173.6	176.7	172.8	-0.3	112.6	V161 N162 E163 K169 L212	V161-R165 WeakPolarHBondContact O-CB 3.35Å; V161-R165 VanDerWaalsContact O-CG 3.29Å; V161-R165 WeakPolarHBondContact O-CG 3.27Å; V161-R165 PolarHBondContact O-N 2.97Å; N162-R165 PolarHBondContact O-N 3.39Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 2.97Å; R165-K169 PolarHBondContact O-N 3.26Å; R165-K169 VanDerWaalsContact O-N 3.11Å; R165-L212 HydrophobicContact CG-CD1 3.93Å; R165-L212 HydrophobicContact CG-CD2 4.08Å
166	A	78.9	Confident	79	Confident	52 Å²	52	70.1 Å²	70.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-46.1	176.4	0	0	0	0	0	111.1	N162 E163 L164 H168 K169 D170	N162-A166 PolarHBondContact O-N 3.03Å; E163-A166 WeakPolarHBondContact O-CB 3.39Å; E163-A166 PolarHBondContact O-N 2.93Å; E163-A166 VanDerWaalsContact O-N 3.14Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.22Å; A166-H168 VanDerWaalsContact C-N 3.34Å; A166-H168 PolarHBondContact O-N 3.33Å; A166-K169 PolarHBondContact O-N 2.75Å; A166-D170 PolarHBondContact O-N 3.09Å; A166-D170 VanDerWaalsContact O-N 3.07Å
167	I	82.7	Confident	78.9	Confident	85 Å²	85	69.3 Å²	69.3	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176.3	-61.8	165.2	0	0	0	110.6	E163 L164 K169 D170 L171 L208	E163-I167 WeakPolarHBondContact O-CG1 3.26Å; E163-I167 PolarHBondContact O-N 3.2Å; L164-I167 PolarHBondContact O-N 2.84Å; I167-K169 VanDerWaalsContact C-N 3.32Å; I167-K169 PolarHBondContact O-N 3.29Å; I167-D170 PolarHBondContact O-N 3.16Å; I167-D170 VanDerWaalsContact O-N 3.14Å; I167-L171 HydrophobicContact CG2-CD1 4.18Å; I167-L171 HydrophobicContact CG2-CG 4.36Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 2.72Å; I167-L208 HydrophobicContact CB-CD2 4.03Å; I167-L208 HydrophobicContact CG2-CD1 4.49Å; I167-L208 HydrophobicContact CG2-CD2 3.71Å
168	H	76.1	Confident	78.9	Confident	43 Å²	43	68.4 Å²	68.4	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-44.6	178.9	179.9	-97.3	0	0	0	111.7	L164 A166 D170 L171 I172 L208 E209	L164-H168 WeakPolarHBondContact O-CB 3.43Å; L164-H168 PolarHBondContact O-N 3.38Å; A166-H168 VanDerWaalsContact C-N 3.34Å; A166-H168 PolarHBondContact O-N 3.33Å; H168-D170 VanDerWaalsContact C-N 3.33Å; H168-D170 PolarHBondContact O-N 3.16Å; H168-L171 PolarHBondContact O-N 3.35Å; H168-I172 VanDerWaalsContact O-CG1 3.26Å; H168-I172 WeakPolarHBondContact O-CG1 3.35Å; H168-I172 PolarHBondContact O-N 2.97Å; H168-L208 VanDerWaalsContact CA-CD2 3.4Å; H168-L208 HydrophobicContact CB-CD2 3.62Å; H168-L208 HydrophobicContact CB-CG 4.5Å; H168-L208 VanDerWaalsContact N-CD2 3.32Å; H168-E209 IonicContact CD2-OE1 2.81Å; H168-E209 IonicContact CE1-OE1 3.13Å; H168-E209 WeakPolarHBondContact NE2-CG 3.12Å; H168-E209 IonicContact NE2-OE1 3.83Å; H168-E209 PolarHBondContact NE2-OE1 3.25Å
169	K	78.2	Confident	79	Confident	159 Å²	159	69.1 Å²	69.1	69%	0.691	34%	0.338	S	S	*	.	H	α-helix	trans	-62.6	-39.4	176.5	-174.1	178.5	179.3	-180	0	112.5	R165 A166 I167 R173	R165-K169 PolarHBondContact O-N 3.26Å; R165-K169 VanDerWaalsContact O-N 3.11Å; A166-K169 PolarHBondContact O-N 2.75Å; I167-K169 VanDerWaalsContact C-N 3.32Å; I167-K169 PolarHBondContact O-N 3.29Å; K169-R173 PolarHBondContact O-N 3.08Å; K169-R173 VanDerWaalsContact O-N 3.17Å
170	D	82.9	Confident	79	Confident	71 Å²	71	72.1 Å²	72.1	38%	0.38	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-44.9	176.9	-76.7	-30.7	0	0	0	111.4	A166 I167 H168 I172 R173 D174	A166-D170 PolarHBondContact O-N 3.09Å; A166-D170 VanDerWaalsContact O-N 3.07Å; I167-D170 PolarHBondContact O-N 3.16Å; I167-D170 VanDerWaalsContact O-N 3.14Å; H168-D170 VanDerWaalsContact C-N 3.33Å; H168-D170 PolarHBondContact O-N 3.16Å; D170-I172 PolarHBondContact O-N 2.94Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 3.29Å; D170-R173 IonicContact OD1-CZ 3.74Å; D170-R173 IonicContact OD1-NH1 2.84Å; D170-R173 PolarHBondContact OD1-NH1 3.48Å; D170-R173 IonicContact OD1-NH2 3.99Å; D170-R173 PolarHBondContact OD1-NH2 3.37Å; D170-D174 VanDerWaalsContact O-CG 3.25Å; D170-D174 PolarHBondContact O-N 2.87Å
171	L	75.7	Confident	79	Confident	19 Å²	19	72 Å²	72	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-42.8	176.2	-71.8	175.3	0	0	0	112.7	I167 H168 R173 D174 L175 L201 E204 I205 L208	I167-L171 HydrophobicContact CG2-CD1 4.18Å; I167-L171 HydrophobicContact CG2-CG 4.36Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 2.72Å; H168-L171 PolarHBondContact O-N 3.35Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.12Å; L171-D174 PolarHBondContact O-N 2.97Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 PolarHBondContact O-N 3.27Å; L171-L201 HydrophobicContact CD2-CD2 3.94Å; L171-E204 HydrophobicContact CD1-CB 4.23Å; L171-I205 HydrophobicContact CB-CD1 4.25Å; L171-I205 HydrophobicContact CB-CG1 3.7Å; L171-I205 HydrophobicContact CD1-CG1 4.21Å; L171-L208 HydrophobicContact CD1-CD2 3.78Å
172	I	76.7	Confident	79.1	Confident	65 Å²	65	72.3 Å²	72.3	33%	0.333	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-40	176.7	-68.6	-74.1	0	0	0	111	H168 D170 D174 L175 V176 I205	H168-I172 VanDerWaalsContact O-CG1 3.26Å; H168-I172 WeakPolarHBondContact O-CG1 3.35Å; H168-I172 PolarHBondContact O-N 2.97Å; D170-I172 PolarHBondContact O-N 2.94Å; I172-D174 VanDerWaalsContact C-N 3.35Å; I172-L175 PolarHBondContact O-N 3.48Å; I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.48Å; I172-I205 HydrophobicContact CD1-CD1 3.77Å; I172-I205 HydrophobicContact CD1-CG1 4.36Å; I172-I205 HydrophobicContact CD1-CG2 4.17Å; I172-I205 HydrophobicContact CG1-CD1 4.35Å
173	R	78.6	Confident	79.3	Confident	139 Å²	139	77.7 Å²	77.7	53%	0.525	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-45.4	175.3	178.5	-170.8	64.1	-136.8	-9.8	110.8	K169 D170 L171 L175 V176 Q177	K169-R173 PolarHBondContact O-N 3.08Å; K169-R173 VanDerWaalsContact O-N 3.17Å; D170-R173 WeakPolarHBondContact O-CB 3.4Å; D170-R173 PolarHBondContact O-N 3.29Å; D170-R173 IonicContact OD1-CZ 3.74Å; D170-R173 IonicContact OD1-NH1 2.84Å; D170-R173 PolarHBondContact OD1-NH1 3.48Å; D170-R173 IonicContact OD1-NH2 3.99Å; D170-R173 PolarHBondContact OD1-NH2 3.37Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 3.12Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-V176 PolarHBondContact O-N 2.9Å; R173-Q177 WeakPolarHBondContact O-CB 3.21Å; R173-Q177 PolarHBondContact O-N 2.86Å
174	D	81.8	Confident	79.5	Confident	69 Å²	69	77.1 Å²	77.1	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-37.3	-178	-63.9	-6.7	0	0	0	110.8	D170 L171 I172 Q177 T178 L201	D170-D174 VanDerWaalsContact O-CG 3.25Å; D170-D174 PolarHBondContact O-N 2.87Å; L171-D174 PolarHBondContact O-N 2.97Å; I172-D174 VanDerWaalsContact C-N 3.35Å; D174-Q177 PolarHBondContact O-N 3.04Å; D174-T178 WeakPolarHBondContact O-CB 3.23Å; D174-T178 PolarHBondContact O-N 3.42Å; D174-T178 PolarHBondContact O-OG1 3.43Å; D174-L201 HydrophobicContact CB-CD1 4.48Å; D174-L201 HydrophobicContact CB-CD2 4.4Å
175	L	78.4	Confident	79.8	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.126	37%	0.37	C	S	.	.	H	α-helix	trans	-58	-54.2	171.8	175.4	65.5	0	0	0	111.6	L171 I172 R173 Q177 T178 E179 V198 L201 I202 I205	L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 PolarHBondContact O-N 3.27Å; I172-L175 PolarHBondContact O-N 3.48Å; R173-L175 VanDerWaalsContact C-N 3.34Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.15Å; L175-T178 PolarHBondContact O-N 2.97Å; L175-E179 HydrophobicContact CD1-CG 4.23Å; L175-E179 PolarHBondContact O-N 2.79Å; L175-V198 HydrophobicContact CD1-CB 4.36Å; L175-V198 HydrophobicContact CD1-CG1 3.83Å; L175-V198 HydrophobicContact CD1-CG2 4.44Å; L175-L201 HydrophobicContact CB-CB 4.41Å; L175-L201 HydrophobicContact CB-CD1 4.42Å; L175-L201 HydrophobicContact CD1-CB 4.13Å; L175-I202 HydrophobicContact CD1-CD1 4.38Å; L175-I202 HydrophobicContact CD1-CG1 3.87Å; L175-I202 HydrophobicContact CD2-CG1 4.2Å; L175-I205 HydrophobicContact CB-CD1 4.09Å; L175-I205 HydrophobicContact CD2-CD1 3.69Å; L175-I205 HydrophobicContact CG-CD1 4.45Å
176	V	78.3	Confident	80.3	Confident	90 Å²	90	77.2 Å²	77.2	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-41.2	-179.1	169.4	0	0	0	0	111.2	I172 R173 K180	I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.48Å; R173-V176 PolarHBondContact O-N 2.9Å; V176-K180 WeakPolarHBondContact O-CB 3.16Å; V176-K180 PolarHBondContact O-N 2.91Å; V176-K180 VanDerWaalsContact O-N 3.11Å
177	Q	78.7	Confident	81	Confident	89 Å²	89	78.9 Å²	78.9	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-67.5	-43.8	178.6	-177.2	57.4	31.8	0	0	111.6	R173 D174 L175 K180 E181	R173-Q177 WeakPolarHBondContact O-CB 3.21Å; R173-Q177 PolarHBondContact O-N 2.86Å; D174-Q177 PolarHBondContact O-N 3.04Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.15Å; Q177-K180 WeakPolarHBondContact O-CB 3.39Å; Q177-K180 PolarHBondContact O-N 3.49Å; Q177-E181 PolarHBondContact NE2-OE1 3.32Å; Q177-E181 WeakPolarHBondContact O-CG 3.41Å; Q177-E181 PolarHBondContact O-N 3.45Å
178	T	75.4	Confident	81.5	Confident	12 Å²	12	78.9 Å²	78.9	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-43.9	-180	-53.6	0	0	0	0	111.5	D174 L175 K180 E181 A182 L194 E197 V198	D174-T178 WeakPolarHBondContact O-CB 3.23Å; D174-T178 PolarHBondContact O-N 3.42Å; D174-T178 PolarHBondContact O-OG1 3.43Å; L175-T178 PolarHBondContact O-N 2.97Å; T178-K180 VanDerWaalsContact C-N 3.31Å; T178-K180 PolarHBondContact O-N 3.12Å; T178-E181 PolarHBondContact O-N 3.49Å; T178-E181 VanDerWaalsContact O-N 3.16Å; T178-A182 PolarHBondContact O-N 2.97Å; T178-L194 HydrophobicContact CG2-CB 4.35Å; T178-L194 HydrophobicContact CG2-CD2 3.92Å; T178-E197 HydrophobicContact CG2-CB 3.95Å; T178-E197 HydrophobicContact CG2-CG 3.86Å; T178-V198 HydrophobicContact CG2-CG2 3.78Å
179	E	77.4	Confident	82.5	Confident	59 Å²	59	83 Å²	83	28%	0.276	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-44.6	173.9	-77.4	-161.8	172.5	0	0	111.7	L175 E181 A182 R183 V198	L175-E179 HydrophobicContact CD1-CG 4.23Å; L175-E179 PolarHBondContact O-N 2.79Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.23Å; E179-A182 PolarHBondContact O-N 3.02Å; E179-R183 VanDerWaalsContact O-CG 3.3Å; E179-R183 WeakPolarHBondContact O-CG 3.45Å; E179-R183 PolarHBondContact O-N 3.28Å; E179-R183 IonicContact OE2-CZ 2.76Å; E179-R183 IonicContact OE2-NH2 2.82Å; E179-R183 PolarHBondContact OE2-NH2 2.89Å; E179-V198 HydrophobicContact CB-CG2 4.36Å; E179-V198 HydrophobicContact CG-CB 4.49Å; E179-V198 HydrophobicContact CG-CG1 3.93Å; E179-V198 HydrophobicContact CG-CG2 3.66Å
180	K	79.9	Confident	83.2	Confident	122 Å²	122	80.1 Å²	80.1	53%	0.53	41%	0.407	S	S	.	.	H	α-helix	trans	-61.3	-40.6	177.5	-177.8	178.7	-179.8	179.9	0	111.3	V176 Q177 T178 N184	V176-K180 WeakPolarHBondContact O-CB 3.16Å; V176-K180 PolarHBondContact O-N 2.91Å; V176-K180 VanDerWaalsContact O-N 3.11Å; Q177-K180 WeakPolarHBondContact O-CB 3.39Å; Q177-K180 PolarHBondContact O-N 3.49Å; T178-K180 VanDerWaalsContact C-N 3.31Å; T178-K180 PolarHBondContact O-N 3.12Å; K180-N184 WeakPolarHBondContact CG-ND2 3.34Å; K180-N184 WeakPolarHBondContact O-CB 3.06Å; K180-N184 VanDerWaalsContact O-CG 3.28Å; K180-N184 PolarHBondContact O-N 2.91Å; K180-N184 PolarHBondContact O-ND2 3.3Å
181	E	82.6	Confident	83.8	Confident	80 Å²	80	80.9 Å²	80.9	37%	0.374	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-40	176.1	-72.3	-175.1	-157.3	0	0	112.4	Q177 T178 E179 R183 N184 T185 L194	Q177-E181 PolarHBondContact NE2-OE1 3.32Å; Q177-E181 WeakPolarHBondContact O-CG 3.41Å; Q177-E181 PolarHBondContact O-N 3.45Å; T178-E181 PolarHBondContact O-N 3.49Å; T178-E181 VanDerWaalsContact O-N 3.16Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.23Å; E181-R183 PolarHBondContact O-N 3.14Å; E181-N184 PolarHBondContact O-N 3.45Å; E181-T185 WeakPolarHBondContact O-CG2 3.5Å; E181-T185 PolarHBondContact O-N 2.82Å; E181-L194 HydrophobicContact CB-CD1 3.89Å; E181-L194 HydrophobicContact CB-CD2 4.42Å
182	A	77.7	Confident	84.6	Confident	7 Å²	7	81 Å²	81	6%	0.058	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177.3	0	0	0	0	0	111.4	T178 E179 N184 T185 L194 E195	T178-A182 PolarHBondContact O-N 2.97Å; E179-A182 PolarHBondContact O-N 3.02Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 3.42Å; A182-T185 WeakPolarHBondContact O-CG2 3.34Å; A182-L194 HydrophobicContact CB-CB 3.7Å; A182-L194 HydrophobicContact CB-CD1 4.36Å; A182-E195 HydrophobicContact CB-CG 4.49Å
183	R	83.8	Confident	85.5	Confident	184 Å²	184	82.3 Å²	82.3	69%	0.694	42%	0.417	S	S	*	.	H	α-helix	trans	-64.6	-36.6	178.1	-69.3	175.9	-166.9	-168.8	10	112.5	E179 E181	E179-R183 VanDerWaalsContact O-CG 3.3Å; E179-R183 WeakPolarHBondContact O-CG 3.45Å; E179-R183 PolarHBondContact O-N 3.28Å; E179-R183 IonicContact OE2-CZ 2.76Å; E179-R183 IonicContact OE2-NH2 2.82Å; E179-R183 PolarHBondContact OE2-NH2 2.89Å; E181-R183 PolarHBondContact O-N 3.14Å
184	N	88.5	Confident	86.1	Confident	116 Å²	116	76.2 Å²	76.2	62%	0.62	40%	0.395	S	S	*	.	H	α-helix	trans	-90.1	-13	-173.1	-70.6	-42.8	0	0	0	114.5	K180 E181 A182	K180-N184 WeakPolarHBondContact CG-ND2 3.34Å; K180-N184 WeakPolarHBondContact O-CB 3.06Å; K180-N184 VanDerWaalsContact O-CG 3.28Å; K180-N184 PolarHBondContact O-N 2.91Å; K180-N184 PolarHBondContact O-ND2 3.3Å; E181-N184 PolarHBondContact O-N 3.45Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 3.42Å
185	T	83.7	Confident	86.6	Confident	19 Å²	19	78 Å²	78	12%	0.117	40%	0.401	C	S	.	.			trans	-79.4	132.4	177.3	-177.9	0	0	0	0	112	E181 A182 D187 K190 R191 L194	E181-T185 WeakPolarHBondContact O-CG2 3.5Å; E181-T185 PolarHBondContact O-N 2.82Å; A182-T185 WeakPolarHBondContact O-CG2 3.34Å; T185-D187 PolarHBondContact OG1-N 3.38Å; T185-K190 HydrophobicContact CG2-CB 4.45Å; T185-K190 HydrophobicContact CG2-CG 4.4Å; T185-R191 HydrophobicContact CG2-CB 3.77Å; T185-R191 HydrophobicContact CG2-CG 4.3Å; T185-R191 PolarHBondContact O-NE 3.49Å; T185-R191 PolarHBondContact O-NH2 3Å; T185-L194 HydrophobicContact CG2-CD1 4.11Å
186	S	90.9	Very high	87.4	Confident	117 Å²	117	83.8 Å²	83.8	82%	0.818	42%	0.421	S	S	*	.			trans	-85.1	-17.3	171.2	-49.5	0	0	0	0	113.2	S188	S186-S188 PolarHBondContact O-N 3.39Å
187	D	93.3	Very high	88.2	Confident	87 Å²	87	83.8 Å²	83.8	47%	0.465	42%	0.415	S	S	.	.			trans	-75.3	114.9	176.2	-178.7	-25.2	0	0	0	109.7	T185 N189 K190 R191	T185-D187 PolarHBondContact OG1-N 3.38Å; D187-N189 VanDerWaalsContact C-N 3.33Å; D187-N189 PolarHBondContact O-N 3.06Å; D187-N189 WeakPolarHBondContact OD1-CA 3.21Å; D187-N189 WeakPolarHBondContact OD1-CB 3.36Å; D187-N189 PolarHBondContact OD1-N 3.38Å; D187-K190 HydrophobicContact CB-CB 3.83Å; D187-K190 PolarHBondContact O-N 2.76Å; D187-K190 PolarHBondContact OD1-N 3.46Å; D187-K190 VanDerWaalsContact OD1-N 3.09Å; D187-R191 WeakPolarHBondContact O-CB 3.49Å; D187-R191 PolarHBondContact O-N 2.83Å
188	S	93.4	Very high	88.5	Confident	86 Å²	86	80.4 Å²	80.4	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-64.5	-33.6	-178.9	-170.1	0	0	0	0	113.2	S186 G192	S186-S188 PolarHBondContact O-N 3.39Å; S188-G192 PolarHBondContact O-N 2.8Å
189	N	96.6	Very high	89.2	Confident	129 Å²	129	85.5 Å²	85.5	69%	0.69	42%	0.424	S	S	*	.	H	α-helix	trans	-72	-43.4	177.8	-69.1	-27.6	0	0	0	109.9	D187 R191 G192 I193	D187-N189 VanDerWaalsContact C-N 3.33Å; D187-N189 PolarHBondContact O-N 3.06Å; D187-N189 WeakPolarHBondContact OD1-CA 3.21Å; D187-N189 WeakPolarHBondContact OD1-CB 3.36Å; D187-N189 PolarHBondContact OD1-N 3.38Å; N189-R191 VanDerWaalsContact C-N 3.33Å; N189-G192 PolarHBondContact O-N 2.65Å; N189-I193 WeakPolarHBondContact O-CG1 3.41Å; N189-I193 PolarHBondContact O-N 3.15Å; N189-I193 VanDerWaalsContact O-N 3.13Å
190	K	94	Very high	90	Very high	99 Å²	99	87.2 Å²	87.2	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.3	-172.3	176.5	178	-175.3	0	111.2	T185 D187 G192 I193 L194	T185-K190 HydrophobicContact CG2-CB 4.45Å; T185-K190 HydrophobicContact CG2-CG 4.4Å; D187-K190 HydrophobicContact CB-CB 3.83Å; D187-K190 PolarHBondContact O-N 2.76Å; D187-K190 PolarHBondContact OD1-N 3.46Å; D187-K190 VanDerWaalsContact OD1-N 3.09Å; K190-G192 PolarHBondContact O-N 2.79Å; K190-I193 PolarHBondContact O-N 3.28Å; K190-I193 VanDerWaalsContact O-N 3.17Å; K190-L194 HydrophobicContact CG-CD1 4.05Å; K190-L194 WeakPolarHBondContact O-CG 3.36Å; K190-L194 PolarHBondContact O-N 2.84Å
191	R	94.6	Very high	90.2	Very high	86 Å²	86	82.2 Å²	82.2	33%	0.325	41%	0.414	S	S	.	.	H	α-helix	trans	-57	-50.4	176.3	-168	-179.3	-58	141.5	6	111.4	T185 D187 N189 I193 L194 E195	T185-R191 HydrophobicContact CG2-CB 3.77Å; T185-R191 HydrophobicContact CG2-CG 4.3Å; T185-R191 PolarHBondContact O-NE 3.49Å; T185-R191 PolarHBondContact O-NH2 3Å; D187-R191 WeakPolarHBondContact O-CB 3.49Å; D187-R191 PolarHBondContact O-N 2.83Å; N189-R191 VanDerWaalsContact C-N 3.33Å; R191-I193 PolarHBondContact O-N 3.04Å; R191-L194 PolarHBondContact O-N 2.84Å; R191-L194 VanDerWaalsContact O-N 3.12Å; R191-E195 WeakPolarHBondContact CD-OE1 3.29Å; R191-E195 HydrophobicContact CG-CG 4.21Å; R191-E195 WeakPolarHBondContact CG-OE1 3.28Å; R191-E195 WeakPolarHBondContact O-CG 3.4Å; R191-E195 PolarHBondContact O-N 3.49Å
192	G	91.5	Very high	90.3	Very high	23 Å²	23	81.5 Å²	81.5	24%	0.237	41%	0.412	C	S	.	.	H	α-helix	trans	-68.3	-14.9	179.4	0	0	0	0	0	114.9	S188 N189 K190 R196	S188-G192 PolarHBondContact O-N 2.8Å; N189-G192 PolarHBondContact O-N 2.65Å; K190-G192 PolarHBondContact O-N 2.79Å; G192-R196 PolarHBondContact O-NE 3.38Å; G192-R196 PolarHBondContact O-NH2 3.05Å
193	I	97.3	Very high	91	Very high	91 Å²	91	85.4 Å²	85.4	47%	0.467	43%	0.432	S	S	.	.	H	α-helix	trans	-78.3	-49.3	167.5	-68.4	163.6	0	0	0	109.7	N189 K190 R191 E195 R196 E197	N189-I193 WeakPolarHBondContact O-CG1 3.41Å; N189-I193 PolarHBondContact O-N 3.15Å; N189-I193 VanDerWaalsContact O-N 3.13Å; K190-I193 PolarHBondContact O-N 3.28Å; K190-I193 VanDerWaalsContact O-N 3.17Å; R191-I193 PolarHBondContact O-N 3.04Å; I193-E195 PolarHBondContact O-N 3.3Å; I193-R196 VanDerWaalsContact CG1-NH2 3.29Å; I193-R196 WeakPolarHBondContact O-CB 3.13Å; I193-R196 PolarHBondContact O-N 3.34Å; I193-E197 PolarHBondContact O-N 3.38Å
194	L	89.7	Confident	91.4	Very high	11 Å²	11	81.7 Å²	81.7	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-65.6	-36.3	-179	-66.9	166.6	0	0	0	112.5	T178 E181 A182 T185 K190 R191 R196 E197 V198	T178-L194 HydrophobicContact CG2-CB 4.35Å; T178-L194 HydrophobicContact CG2-CD2 3.92Å; E181-L194 HydrophobicContact CB-CD1 3.89Å; E181-L194 HydrophobicContact CB-CD2 4.42Å; A182-L194 HydrophobicContact CB-CB 3.7Å; A182-L194 HydrophobicContact CB-CD1 4.36Å; T185-L194 HydrophobicContact CG2-CD1 4.11Å; K190-L194 HydrophobicContact CG-CD1 4.05Å; K190-L194 WeakPolarHBondContact O-CG 3.36Å; K190-L194 PolarHBondContact O-N 2.84Å; R191-L194 PolarHBondContact O-N 2.84Å; R191-L194 VanDerWaalsContact O-N 3.12Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.04Å; L194-E197 PolarHBondContact O-N 2.98Å; L194-V198 WeakPolarHBondContact O-CG2 3.07Å; L194-V198 PolarHBondContact O-N 2.95Å
195	E	92.3	Very high	91	Very high	108 Å²	108	76.6 Å²	76.6	51%	0.505	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-34.8	174.5	-74.8	170.3	172.1	0	0	112	A182 R191 I193 E199	A182-E195 HydrophobicContact CB-CG 4.49Å; R191-E195 WeakPolarHBondContact CD-OE1 3.29Å; R191-E195 HydrophobicContact CG-CG 4.21Å; R191-E195 WeakPolarHBondContact CG-OE1 3.28Å; R191-E195 WeakPolarHBondContact O-CG 3.4Å; R191-E195 PolarHBondContact O-N 3.49Å; I193-E195 PolarHBondContact O-N 3.3Å; E195-E199 PolarHBondContact O-N 2.9Å
196	R	95.4	Very high	91.2	Very high	144 Å²	144	79.7 Å²	79.7	54%	0.543	41%	0.411	S	S	.	.	H	α-helix	trans	-70.9	-39.6	172.7	-77.7	-179.7	-75.9	134.3	-6.3	112	G192 I193 L194 V198 E199 D200	G192-R196 PolarHBondContact O-NE 3.38Å; G192-R196 PolarHBondContact O-NH2 3.05Å; I193-R196 VanDerWaalsContact CG1-NH2 3.29Å; I193-R196 WeakPolarHBondContact O-CB 3.13Å; I193-R196 PolarHBondContact O-N 3.34Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.04Å; R196-V198 VanDerWaalsContact C-N 3.32Å; R196-V198 PolarHBondContact O-N 3.35Å; R196-E199 WeakPolarHBondContact O-CB 3.26Å; R196-E199 PolarHBondContact O-N 2.93Å; R196-D200 PolarHBondContact O-N 3.49Å
197	E	95.8	Very high	91.2	Very high	90 Å²	90	77 Å²	77	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-37.2	175.5	-172.4	172.5	-174.7	0	0	112.1	T178 I193 L194 D200 L201	T178-E197 HydrophobicContact CG2-CB 3.95Å; T178-E197 HydrophobicContact CG2-CG 3.86Å; I193-E197 PolarHBondContact O-N 3.38Å; L194-E197 PolarHBondContact O-N 2.98Å; E197-D200 PolarHBondContact O-N 3.49Å; E197-L201 HydrophobicContact CG-CD1 4.35Å; E197-L201 WeakPolarHBondContact O-CB 3.4Å; E197-L201 VanDerWaalsContact O-CG 3.29Å; E197-L201 WeakPolarHBondContact O-CG 3.36Å; E197-L201 PolarHBondContact O-N 2.88Å
198	V	83.8	Confident	90.7	Very high	18 Å²	18	73.8 Å²	73.8	11%	0.109	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-46.1	170.5	165.2	0	0	0	0	111.1	L175 T178 E179 L194 R196 L201 I202	L175-V198 HydrophobicContact CD1-CB 4.36Å; L175-V198 HydrophobicContact CD1-CG1 3.83Å; L175-V198 HydrophobicContact CD1-CG2 4.44Å; T178-V198 HydrophobicContact CG2-CG2 3.78Å; E179-V198 HydrophobicContact CB-CG2 4.36Å; E179-V198 HydrophobicContact CG-CB 4.49Å; E179-V198 HydrophobicContact CG-CG1 3.93Å; E179-V198 HydrophobicContact CG-CG2 3.66Å; L194-V198 WeakPolarHBondContact O-CG2 3.07Å; L194-V198 PolarHBondContact O-N 2.95Å; R196-V198 VanDerWaalsContact C-N 3.32Å; R196-V198 PolarHBondContact O-N 3.35Å; V198-L201 PolarHBondContact O-N 2.85Å; V198-I202 HydrophobicContact CG1-CD1 3.84Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.45Å; V198-I202 PolarHBondContact O-N 3.42Å
199	E	90.7	Very high	90.3	Very high	119 Å²	119	73.6 Å²	73.6	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-42.4	177.7	-171.6	172.9	-168	0	0	112	E195 R196 I202 N203	E195-E199 PolarHBondContact O-N 2.9Å; R196-E199 WeakPolarHBondContact O-CB 3.26Å; R196-E199 PolarHBondContact O-N 2.93Å; E199-I202 PolarHBondContact O-N 3.44Å; E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 3.22Å; E199-N203 PolarHBondContact O-ND2 3.29Å; E199-N203 VanDerWaalsContact O-ND2 3.08Å
200	D	95.1	Very high	89.8	Confident	95 Å²	95	72.4 Å²	72.4	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-46.5	174.9	-70.3	-25	0	0	0	111.2	R196 E197 I202 N203 E204	R196-D200 PolarHBondContact O-N 3.49Å; E197-D200 PolarHBondContact O-N 3.49Å; D200-I202 PolarHBondContact O-N 2.99Å; D200-N203 WeakPolarHBondContact O-CB 3.18Å; D200-N203 PolarHBondContact O-N 3.43Å; D200-E204 WeakPolarHBondContact O-CG 3.45Å; D200-E204 PolarHBondContact O-N 3.33Å
201	L	84	Confident	89.4	Confident	17 Å²	17	72.5 Å²	72.5	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.9	-75.3	167.7	0	0	0	112.5	L171 D174 L175 E197 V198 N203 E204 I205	L171-L201 HydrophobicContact CD2-CD2 3.94Å; D174-L201 HydrophobicContact CB-CD1 4.48Å; D174-L201 HydrophobicContact CB-CD2 4.4Å; L175-L201 HydrophobicContact CB-CB 4.41Å; L175-L201 HydrophobicContact CB-CD1 4.42Å; L175-L201 HydrophobicContact CD1-CB 4.13Å; E197-L201 HydrophobicContact CG-CD1 4.35Å; E197-L201 WeakPolarHBondContact O-CB 3.4Å; E197-L201 VanDerWaalsContact O-CG 3.29Å; E197-L201 WeakPolarHBondContact O-CG 3.36Å; E197-L201 PolarHBondContact O-N 2.88Å; V198-L201 PolarHBondContact O-N 2.85Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.78Å; L201-E204 PolarHBondContact O-N 2.86Å; L201-I205 WeakPolarHBondContact O-CB 3.49Å; L201-I205 WeakPolarHBondContact O-CD1 3.19Å; L201-I205 VanDerWaalsContact O-CG1 3.25Å; L201-I205 WeakPolarHBondContact O-CG1 3.21Å; L201-I205 PolarHBondContact O-N 2.77Å
202	I	85.2	Confident	88.8	Confident	66 Å²	66	69.8 Å²	69.8	34%	0.338	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175.3	-72.4	166.4	0	0	0	110.4	L175 V198 E199 D200 I205 N206	L175-I202 HydrophobicContact CD1-CD1 4.38Å; L175-I202 HydrophobicContact CD1-CG1 3.87Å; L175-I202 HydrophobicContact CD2-CG1 4.2Å; V198-I202 HydrophobicContact CG1-CD1 3.84Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.45Å; V198-I202 PolarHBondContact O-N 3.42Å; E199-I202 PolarHBondContact O-N 3.44Å; D200-I202 PolarHBondContact O-N 2.99Å; I202-I205 PolarHBondContact O-N 3.32Å; I202-N206 WeakPolarHBondContact O-CB 3.38Å; I202-N206 VanDerWaalsContact O-CG 3.22Å; I202-N206 PolarHBondContact O-N 3.43Å; I202-N206 PolarHBondContact O-ND2 2.87Å
203	N	90.6	Very high	88.4	Confident	88 Å²	88	75.2 Å²	75.2	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-41.1	177.6	-70.8	-37.7	0	0	0	112.1	E199 D200 L201 N206 A207	E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 3.22Å; E199-N203 PolarHBondContact O-ND2 3.29Å; E199-N203 VanDerWaalsContact O-ND2 3.08Å; D200-N203 WeakPolarHBondContact O-CB 3.18Å; D200-N203 PolarHBondContact O-N 3.43Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.78Å; N203-N206 PolarHBondContact O-N 2.68Å; N203-A207 PolarHBondContact O-N 3.32Å
204	E	92.2	Very high	87.8	Confident	107 Å²	107	74.7 Å²	74.7	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.7	-73.4	-173.9	-152	0	0	112.4	L171 D200 L201 A207 L208	L171-E204 HydrophobicContact CD1-CB 4.23Å; D200-E204 WeakPolarHBondContact O-CG 3.45Å; D200-E204 PolarHBondContact O-N 3.33Å; L201-E204 PolarHBondContact O-N 2.86Å; E204-A207 PolarHBondContact O-N 3.05Å; E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 PolarHBondContact O-N 3.08Å
205	I	81.7	Confident	87.3	Confident	8 Å²	8	74.8 Å²	74.8	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-48.8	176.1	-72.3	160.2	0	0	0	110.3	L171 I172 L175 L201 I202 A207 L208 E209	L171-I205 HydrophobicContact CB-CD1 4.25Å; L171-I205 HydrophobicContact CB-CG1 3.7Å; L171-I205 HydrophobicContact CD1-CG1 4.21Å; I172-I205 HydrophobicContact CD1-CD1 3.77Å; I172-I205 HydrophobicContact CD1-CG1 4.36Å; I172-I205 HydrophobicContact CD1-CG2 4.17Å; I172-I205 HydrophobicContact CG1-CD1 4.35Å; L175-I205 HydrophobicContact CB-CD1 4.09Å; L175-I205 HydrophobicContact CD2-CD1 3.69Å; L175-I205 HydrophobicContact CG-CD1 4.45Å; L201-I205 WeakPolarHBondContact O-CB 3.49Å; L201-I205 WeakPolarHBondContact O-CD1 3.19Å; L201-I205 VanDerWaalsContact O-CG1 3.25Å; L201-I205 WeakPolarHBondContact O-CG1 3.21Å; L201-I205 PolarHBondContact O-N 2.77Å; I202-I205 PolarHBondContact O-N 3.32Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-A207 PolarHBondContact O-N 3.47Å; I205-L208 PolarHBondContact O-N 3.48Å; I205-L208 VanDerWaalsContact O-N 3.16Å; I205-E209 HydrophobicContact CG2-CG 4.26Å; I205-E209 WeakPolarHBondContact O-CB 3.48Å; I205-E209 WeakPolarHBondContact O-CG 3.48Å; I205-E209 PolarHBondContact O-N 2.9Å
206	N	87.5	Confident	86.5	Confident	84 Å²	84	71.5 Å²	71.5	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-43.9	179.9	-71.6	-29	0	0	0	112	I202 N203 L208 E209 E210	I202-N206 WeakPolarHBondContact O-CB 3.38Å; I202-N206 VanDerWaalsContact O-CG 3.22Å; I202-N206 PolarHBondContact O-N 3.43Å; I202-N206 PolarHBondContact O-ND2 2.87Å; N203-N206 PolarHBondContact O-N 2.68Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 2.99Å; N206-E209 PolarHBondContact O-N 3.4Å; N206-E210 PolarHBondContact O-N 3.48Å; N206-E210 VanDerWaalsContact O-N 3.1Å
207	A	90.3	Very high	85.7	Confident	61 Å²	61	69.5 Å²	69.5	50%	0.504	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-38.1	177.1	0	0	0	0	0	112.1	N203 E204 I205 K211	N203-A207 PolarHBondContact O-N 3.32Å; E204-A207 PolarHBondContact O-N 3.05Å; I205-A207 VanDerWaalsContact C-N 3.35Å; I205-A207 PolarHBondContact O-N 3.47Å; A207-K211 PolarHBondContact O-N 3.31Å; A207-K211 VanDerWaalsContact O-N 3.12Å
208	L	83.6	Confident	84.9	Confident	19 Å²	19	69.3 Å²	69.3	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-70.4	-39.3	177.3	-174.2	68	0	0	0	112.3	L164 I167 H168 L171 E204 I205 N206 E210 K211 L212	L164-L208 HydrophobicContact CB-CD1 4.46Å; L164-L208 HydrophobicContact CD2-CD1 3.56Å; I167-L208 HydrophobicContact CB-CD2 4.03Å; I167-L208 HydrophobicContact CG2-CD1 4.49Å; I167-L208 HydrophobicContact CG2-CD2 3.71Å; H168-L208 VanDerWaalsContact CA-CD2 3.4Å; H168-L208 HydrophobicContact CB-CD2 3.62Å; H168-L208 HydrophobicContact CB-CG 4.5Å; H168-L208 VanDerWaalsContact N-CD2 3.32Å; L171-L208 HydrophobicContact CD1-CD2 3.78Å; E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 PolarHBondContact O-N 3.08Å; I205-L208 PolarHBondContact O-N 3.48Å; I205-L208 VanDerWaalsContact O-N 3.16Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 2.99Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-K211 PolarHBondContact O-N 2.96Å; L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.33Å; L208-L212 PolarHBondContact O-N 3.34Å
209	E	83.9	Confident	84.3	Confident	83 Å²	83	69.2 Å²	69.2	39%	0.388	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-40.1	175.9	-76.7	-177.4	171.5	0	0	111.7	H168 I205 N206 L212 R213	H168-E209 IonicContact CD2-OE1 2.81Å; H168-E209 IonicContact CE1-OE1 3.13Å; H168-E209 WeakPolarHBondContact NE2-CG 3.12Å; H168-E209 IonicContact NE2-OE1 3.83Å; H168-E209 PolarHBondContact NE2-OE1 3.25Å; I205-E209 HydrophobicContact CG2-CG 4.26Å; I205-E209 WeakPolarHBondContact O-CB 3.48Å; I205-E209 WeakPolarHBondContact O-CG 3.48Å; I205-E209 PolarHBondContact O-N 2.9Å; N206-E209 PolarHBondContact O-N 3.4Å; E209-L212 PolarHBondContact O-N 3.01Å; E209-R213 VanDerWaalsContact O-CB 3.29Å; E209-R213 WeakPolarHBondContact O-CB 3.32Å; E209-R213 PolarHBondContact O-N 3.28Å
210	E	86	Confident	83.6	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-49.4	171.5	169.5	150.1	-109.4	0	0	111.7	N206 L208 L212 R213 D214	N206-E210 PolarHBondContact O-N 3.48Å; N206-E210 VanDerWaalsContact O-N 3.1Å; L208-E210 VanDerWaalsContact C-N 3.32Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.42Å; E210-R213 VanDerWaalsContact CG-NH2 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.36Å; E210-R213 PolarHBondContact O-N 2.73Å; E210-R213 IonicContact OE1-CZ 2.9Å; E210-R213 IonicContact OE1-NH2 3.93Å; E210-R213 PolarHBondContact OE1-NH2 3.07Å; E210-D214 PolarHBondContact O-N 3.19Å
211	K	87.3	Confident	82.7	Confident	102 Å²	102	66 Å²	66	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-40.1	176.7	-172.9	179.1	177.1	-170.9	0	112.4	L164 A207 L208 D214 S215	L164-K211 HydrophobicContact CD1-CD 4.39Å; L164-K211 HydrophobicContact CD1-CG 4.15Å; L164-K211 HydrophobicContact CD2-CD 3.85Å; L164-K211 HydrophobicContact CD2-CG 4.38Å; A207-K211 PolarHBondContact O-N 3.31Å; A207-K211 VanDerWaalsContact O-N 3.12Å; L208-K211 PolarHBondContact O-N 2.96Å; K211-D214 PolarHBondContact O-N 3.32Å; K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 2.98Å; K211-S215 PolarHBondContact O-OG 3.27Å
212	L	80.8	Confident	82.1	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-44.2	178.8	-179.5	64.6	0	0	0	110.7	V161 L164 R165 L208 E209 E210 S215 V216	V161-L212 HydrophobicContact CG1-CD1 4.09Å; L164-L212 HydrophobicContact CB-CD1 3.81Å; L164-L212 HydrophobicContact CD1-CD1 4.37Å; R165-L212 HydrophobicContact CG-CD1 3.93Å; R165-L212 HydrophobicContact CG-CD2 4.08Å; L208-L212 VanDerWaalsContact O-CB 3.29Å; L208-L212 WeakPolarHBondContact O-CB 3.33Å; L208-L212 PolarHBondContact O-N 3.34Å; E209-L212 PolarHBondContact O-N 3.01Å; E210-L212 VanDerWaalsContact C-N 3.31Å; E210-L212 PolarHBondContact O-N 3.42Å; L212-S215 PolarHBondContact O-N 2.77Å; L212-V216 HydrophobicContact CD1-CG2 4.22Å; L212-V216 HydrophobicContact CG-CG2 4.42Å; L212-V216 WeakPolarHBondContact O-CB 3.14Å; L212-V216 VanDerWaalsContact O-CG2 3.27Å; L212-V216 WeakPolarHBondContact O-CG2 3.09Å; L212-V216 PolarHBondContact O-N 3.19Å
213	R	84	Confident	81.3	Confident	137 Å²	137	66 Å²	66	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-49.2	175.4	-178.9	-174.3	65.9	-130.4	1	111.1	E209 E210 S215 V216 Q217	E209-R213 VanDerWaalsContact O-CB 3.29Å; E209-R213 WeakPolarHBondContact O-CB 3.32Å; E209-R213 PolarHBondContact O-N 3.28Å; E210-R213 VanDerWaalsContact CG-NH2 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.36Å; E210-R213 PolarHBondContact O-N 2.73Å; E210-R213 IonicContact OE1-CZ 2.9Å; E210-R213 IonicContact OE1-NH2 3.93Å; E210-R213 PolarHBondContact OE1-NH2 3.07Å; R213-S215 VanDerWaalsContact C-N 3.31Å; R213-S215 PolarHBondContact O-N 2.89Å; R213-V216 PolarHBondContact O-N 3.47Å; R213-Q217 WeakPolarHBondContact O-CB 3.24Å; R213-Q217 PolarHBondContact O-N 3.29Å
214	D	84.6	Confident	80.4	Confident	80 Å²	80	66.3 Å²	66.3	43%	0.428	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-38.2	178.9	-67.5	-5	0	0	0	111.6	E210 K211 N218	E210-D214 PolarHBondContact O-N 3.19Å; K211-D214 PolarHBondContact O-N 3.32Å; D214-N218 WeakPolarHBondContact O-CB 3.37Å; D214-N218 PolarHBondContact O-N 3.47Å; D214-N218 PolarHBondContact O-ND2 3.48Å
215	S	78.9	Confident	79.6	Confident	14 Å²	14	66.5 Å²	66.5	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-68.9	-40.1	178.7	-57.5	0	0	0	0	112.4	L164 K211 L212 R213 L219	L164-S215 WeakPolarHBondContact CD1-OG 3.01Å; K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 2.98Å; K211-S215 PolarHBondContact O-OG 3.27Å; L212-S215 PolarHBondContact O-N 2.77Å; R213-S215 VanDerWaalsContact C-N 3.31Å; R213-S215 PolarHBondContact O-N 2.89Å; S215-L219 WeakPolarHBondContact O-CB 3.46Å; S215-L219 PolarHBondContact O-N 2.92Å
216	V	75	Confident	78.9	Confident	38 Å²	38	68.3 Å²	68.3	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-47.7	174.6	170.1	0	0	0	0	110.1	V161 L212 R213 N218 L219 D220	V161-V216 HydrophobicContact CG1-CG2 3.94Å; V161-V216 HydrophobicContact CG2-CG2 4.17Å; L212-V216 HydrophobicContact CD1-CG2 4.22Å; L212-V216 HydrophobicContact CG-CG2 4.42Å; L212-V216 WeakPolarHBondContact O-CB 3.14Å; L212-V216 VanDerWaalsContact O-CG2 3.27Å; L212-V216 WeakPolarHBondContact O-CG2 3.09Å; L212-V216 PolarHBondContact O-N 3.19Å; R213-V216 PolarHBondContact O-N 3.47Å; V216-N218 VanDerWaalsContact C-N 3.31Å; V216-N218 PolarHBondContact O-N 3.41Å; V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.35Å; V216-D220 VanDerWaalsContact O-CG 3.3Å; V216-D220 PolarHBondContact O-N 3.34Å
217	Q	79	Confident	77.8	Confident	103 Å²	103	65 Å²	65	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-42.9	177.4	-173	63	55.9	0	0	111.8	R213 L219 D220 D221	R213-Q217 WeakPolarHBondContact O-CB 3.24Å; R213-Q217 PolarHBondContact O-N 3.29Å; Q217-L219 VanDerWaalsContact C-N 3.3Å; Q217-L219 PolarHBondContact O-N 2.9Å; Q217-D220 PolarHBondContact O-N 3.42Å; Q217-D221 PolarHBondContact NE2-OD1 3.23Å; Q217-D221 WeakPolarHBondContact O-CB 3.31Å; Q217-D221 PolarHBondContact O-N 3.28Å
218	N	79.4	Confident	77	Confident	86 Å²	86	66.1 Å²	66.1	46%	0.46	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-36.2	175.9	-77.4	-45.4	0	0	0	112.5	M157 D214 V216 V222	M157-N218 VanDerWaalsContact CE-C 3.46Å; M157-N218 HydrophobicContact CE-CB 3.62Å; M157-N218 WeakPolarHBondContact CE-O 3.43Å; D214-N218 WeakPolarHBondContact O-CB 3.37Å; D214-N218 PolarHBondContact O-N 3.47Å; D214-N218 PolarHBondContact O-ND2 3.48Å; V216-N218 VanDerWaalsContact C-N 3.31Å; V216-N218 PolarHBondContact O-N 3.41Å; N218-V222 VanDerWaalsContact O-CG2 3.3Å; N218-V222 WeakPolarHBondContact O-CG2 3.17Å; N218-V222 PolarHBondContact O-N 3.47Å
219	L	70.8	Confident	76.4	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	37%	0.366	C	S	.	.	H	α-helix	trans	-66.7	-47	175.9	178.3	66.2	0	0	0	110.5	L154 M157 V161 S215 V216 Q217 V222 H223	L154-L219 HydrophobicContact CD1-CD1 3.86Å; L154-L219 HydrophobicContact CG-CD1 4.02Å; M157-L219 HydrophobicContact CB-CD1 3.89Å; V161-L219 HydrophobicContact CG2-CD2 4.42Å; S215-L219 WeakPolarHBondContact O-CB 3.46Å; S215-L219 PolarHBondContact O-N 2.92Å; V216-L219 WeakPolarHBondContact O-CB 3.45Å; V216-L219 PolarHBondContact O-N 3.35Å; Q217-L219 VanDerWaalsContact C-N 3.3Å; Q217-L219 PolarHBondContact O-N 2.9Å; L219-V222 PolarHBondContact O-N 3.49Å; L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 3.45Å
220	D	76.3	Confident	75.6	Confident	76 Å²	76	66.9 Å²	66.9	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-45.5	178.2	-66.1	-18.3	0	0	0	110.7	V216 Q217 V222 H223 D224	V216-D220 VanDerWaalsContact O-CG 3.3Å; V216-D220 PolarHBondContact O-N 3.34Å; Q217-D220 PolarHBondContact O-N 3.42Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.17Å; D220-H223 WeakPolarHBondContact O-CB 3.37Å; D220-H223 PolarHBondContact O-N 3.38Å; D220-H223 VanDerWaalsContact O-N 3.15Å; D220-D224 WeakPolarHBondContact O-CB 3.26Å; D220-D224 PolarHBondContact O-N 3.46Å
221	D	75	Confident	74.9	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-40.9	176.7	-71.7	-7	0	0	0	112	Q217 N225	Q217-D221 PolarHBondContact NE2-OD1 3.23Å; Q217-D221 WeakPolarHBondContact O-CB 3.31Å; Q217-D221 PolarHBondContact O-N 3.28Å; D221-N225 WeakPolarHBondContact O-CB 3.48Å; D221-N225 VanDerWaalsContact O-CG 3.24Å; D221-N225 PolarHBondContact O-N 3.05Å; D221-N225 VanDerWaalsContact O-N 3.11Å; D221-N225 PolarHBondContact O-ND2 3.04Å
222	V	71.5	Confident	74	Confident	32 Å²	32	69.7 Å²	69.7	19%	0.194	38%	0.381	C	S	.	.	H	α-helix	trans	-69.5	-40.1	177.2	171.3	0	0	0	0	110.9	L154 M157 N218 L219 D220 N225 L226	L154-V222 HydrophobicContact CD1-CG1 3.87Å; M157-V222 HydrophobicContact CE-CG2 4.13Å; M157-V222 HydrophobicContact SD-CG2 4.12Å; N218-V222 VanDerWaalsContact O-CG2 3.3Å; N218-V222 WeakPolarHBondContact O-CG2 3.17Å; N218-V222 PolarHBondContact O-N 3.47Å; L219-V222 PolarHBondContact O-N 3.49Å; D220-V222 VanDerWaalsContact C-N 3.32Å; D220-V222 PolarHBondContact O-N 3.17Å; V222-N225 PolarHBondContact O-N 2.91Å; V222-L226 HydrophobicContact CG1-CD1 4.26Å; V222-L226 WeakPolarHBondContact O-CG 3.3Å; V222-L226 PolarHBondContact O-N 2.92Å; V222-L226 VanDerWaalsContact O-N 3.08Å
223	H	68.1	Low	72.8	Confident	52 Å²	52	70.8 Å²	70.8	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-62.9	-48.5	177.3	-170	106.9	0	0	0	111.1	L154 L219 D220 N225 L226 L227 E237	L154-H223 HydrophobicContact CD1-CB 4.48Å; L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 3.45Å; D220-H223 WeakPolarHBondContact O-CB 3.37Å; D220-H223 PolarHBondContact O-N 3.38Å; D220-H223 VanDerWaalsContact O-N 3.15Å; H223-N225 VanDerWaalsContact C-N 3.33Å; H223-N225 PolarHBondContact O-N 3.16Å; H223-L226 WeakPolarHBondContact O-CB 3.39Å; H223-L226 PolarHBondContact O-N 3.21Å; H223-L227 VanDerWaalsContact CD2-CD1 3.5Å; H223-L227 WeakPolarHBondContact CD2-CD1 3.45Å; H223-L227 WeakPolarHBondContact O-CG 3.49Å; H223-L227 PolarHBondContact O-N 3.48Å; H223-E237 IonicContact CD2-OE1 2.68Å; H223-E237 IonicContact CD2-OE2 3.67Å; H223-E237 IonicContact CE1-OE1 3.69Å; H223-E237 IonicContact CE1-OE2 3.69Å; H223-E237 IonicContact NE2-OE1 2.79Å; H223-E237 PolarHBondContact NE2-OE1 2.85Å; H223-E237 IonicContact NE2-OE2 3.59Å; H223-E237 PolarHBondContact NE2-OE2 3.01Å
224	D	73.4	Confident	71.9	Confident	94 Å²	94	68.6 Å²	68.6	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-38.9	177.5	-82.8	-10	0	0	0	112.8	D220 L226 L227 S228	D220-D224 WeakPolarHBondContact O-CB 3.26Å; D220-D224 PolarHBondContact O-N 3.46Å; D224-L226 VanDerWaalsContact C-N 3.33Å; D224-L227 PolarHBondContact O-N 3.06Å; D224-S228 VanDerWaalsContact O-CB 3.28Å; D224-S228 WeakPolarHBondContact O-CB 3.38Å; D224-S228 PolarHBondContact O-N 3.45Å; D224-S228 PolarHBondContact O-OG 2.93Å
225	N	73.4	Confident	71	Confident	112 Å²	112	66.6 Å²	66.6	60%	0.599	38%	0.376	S	S	*	.	H	α-helix	trans	-63.6	-39.1	173.7	-79.6	-49.1	0	0	0	111.9	D221 V222 H223 A229	D221-N225 WeakPolarHBondContact O-CB 3.48Å; D221-N225 VanDerWaalsContact O-CG 3.24Å; D221-N225 PolarHBondContact O-N 3.05Å; D221-N225 VanDerWaalsContact O-N 3.11Å; D221-N225 PolarHBondContact O-ND2 3.04Å; V222-N225 PolarHBondContact O-N 2.91Å; H223-N225 VanDerWaalsContact C-N 3.33Å; H223-N225 PolarHBondContact O-N 3.16Å; N225-A229 WeakPolarHBondContact O-CB 3.36Å; N225-A229 PolarHBondContact O-N 2.87Å
226	L	68.2	Low	69.9	Low	45 Å²	45	67.2 Å²	67.2	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-42.8	176.3	-75.5	166.7	0	0	0	111.7	L154 V222 H223 D224 A229 S230	L154-L226 HydrophobicContact CD1-CD1 4.02Å; V222-L226 HydrophobicContact CG1-CD1 4.26Å; V222-L226 WeakPolarHBondContact O-CG 3.3Å; V222-L226 PolarHBondContact O-N 2.92Å; V222-L226 VanDerWaalsContact O-N 3.08Å; H223-L226 WeakPolarHBondContact O-CB 3.39Å; H223-L226 PolarHBondContact O-N 3.21Å; D224-L226 VanDerWaalsContact C-N 3.33Å; L226-A229 PolarHBondContact O-N 3Å; L226-S230 PolarHBondContact O-N 2.98Å
227	L	64.9	Low	68.9	Low	15 Å²	15	67.8 Å²	67.8	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-40.8	176.2	-64.9	176	0	0	0	112.4	H223 D224 A229 S230 L233 K234 E237	H223-L227 VanDerWaalsContact CD2-CD1 3.5Å; H223-L227 WeakPolarHBondContact CD2-CD1 3.45Å; H223-L227 WeakPolarHBondContact O-CG 3.49Å; H223-L227 PolarHBondContact O-N 3.48Å; D224-L227 PolarHBondContact O-N 3.06Å; L227-A229 PolarHBondContact O-N 3.5Å; L227-S230 CarbonylContact O-C 3.22Å; L227-S230 VanDerWaalsContact O-C 3.22Å; L227-S230 PolarHBondContact O-N 3.46Å; L227-L233 HydrophobicContact CD2-CB 4.04Å; L227-K234 HydrophobicContact CB-CB 4.29Å; L227-E237 WeakPolarHBondContact CD1-OE2 3.26Å; L227-E237 HydrophobicContact CD2-CB 4.26Å; L227-E237 WeakPolarHBondContact CD2-OE2 3.36Å; L227-E237 WeakPolarHBondContact CG-OE2 3.43Å
228	S	72.9	Confident	68.3	Low	85 Å²	85	68 Å²	68	59%	0.594	38%	0.383	S	S	*	.	H	α-helix	trans	-63.4	-31.9	176.3	-62.1	0	0	0	0	112	D224 S230	D224-S228 VanDerWaalsContact O-CB 3.28Å; D224-S228 WeakPolarHBondContact O-CB 3.38Å; D224-S228 PolarHBondContact O-N 3.45Å; D224-S228 PolarHBondContact O-OG 2.93Å; S228-S230 VanDerWaalsContact C-N 3.32Å
229	A	70.3	Confident	67.3	Low	85 Å²	85	72 Å²	72	70%	0.702	39%	0.392	S	S	*	.	H	α-helix	trans	-76.8	-15.4	174.2	0	0	0	0	0	113.8	N225 L226 L227	N225-A229 WeakPolarHBondContact O-CB 3.36Å; N225-A229 PolarHBondContact O-N 2.87Å; L226-A229 PolarHBondContact O-N 3Å; L227-A229 PolarHBondContact O-N 3.5Å
230	S	67.5	Low	66.3	Low	32 Å²	32	74.3 Å²	74.3	22%	0.224	40%	0.404	C	S	.	.			trans	-135.1	91.4	-177	-174.8	0	0	0	0	112	L226 L227 S228 E232 L233 K234	L226-S230 PolarHBondContact O-N 2.98Å; L227-S230 CarbonylContact O-C 3.22Å; L227-S230 VanDerWaalsContact O-C 3.22Å; L227-S230 PolarHBondContact O-N 3.46Å; S228-S230 VanDerWaalsContact C-N 3.32Å; S230-E232 PolarHBondContact O-N 3.37Å; S230-E232 VanDerWaalsContact O-N 3.14Å; S230-L233 PolarHBondContact O-N 3.23Å; S230-L233 WeakPolarHBondContact OG-CG 3.16Å; S230-L233 PolarHBondContact OG-N 3.28Å; S230-K234 PolarHBondContact O-N 3.45Å
231	P	72	Confident	65.1	Low	100 Å²	100	74.1 Å²	74.1	65%	0.649	40%	0.403	S	S	*	.	H	α-helix	trans	-56.3	-31.7	179	-26	34.2	0	0	0	114	A235	P231-A235 WeakPolarHBondContact O-CB 3.48Å; P231-A235 PolarHBondContact O-N 2.76Å
232	E	67	Low	63.9	Low	164 Å²	164	74.9 Å²	74.9	77%	0.766	41%	0.407	S	S	*	.	H	α-helix	trans	-68.4	-42.3	177.2	-66.4	174.7	177.5	0	0	112.1	S230 A236	S230-E232 PolarHBondContact O-N 3.37Å; S230-E232 VanDerWaalsContact O-N 3.14Å; E232-A236 PolarHBondContact O-N 2.94Å; E232-A236 VanDerWaalsContact O-N 3.08Å
233	L	57.4	Low	62.5	Low	52 Å²	52	76.2 Å²	76.2	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-44.2	173.5	-72.7	174.9	0	0	0	110.7	V143 L147 L227 S230 A235 A236 E237	V143-L233 HydrophobicContact CG1-CD2 4.15Å; L147-L233 HydrophobicContact CD1-CD1 4.4Å; L147-L233 HydrophobicContact CD1-CD2 3.96Å; L147-L233 HydrophobicContact CD2-CD1 4.13Å; L147-L233 HydrophobicContact CG-CD1 4.29Å; L147-L233 HydrophobicContact CG-CD2 4.44Å; L227-L233 HydrophobicContact CD2-CB 4.04Å; S230-L233 PolarHBondContact O-N 3.23Å; S230-L233 WeakPolarHBondContact OG-CG 3.16Å; S230-L233 PolarHBondContact OG-N 3.28Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 2.84Å; L233-A236 PolarHBondContact O-N 2.82Å; L233-A236 VanDerWaalsContact O-N 3.12Å; L233-E237 WeakPolarHBondContact O-CB 3.44Å; L233-E237 PolarHBondContact O-N 3.45Å
234	K	64.5	Low	60.9	Low	90 Å²	90	77.2 Å²	77.2	39%	0.391	43%	0.425	S	S	.	.	H	α-helix	trans	-56.3	-46.1	176.2	-170.9	173.8	-178.6	172	0	112.2	L227 S230 A236 E237 E238	L227-K234 HydrophobicContact CB-CB 4.29Å; S230-K234 PolarHBondContact O-N 3.45Å; K234-A236 VanDerWaalsContact C-N 3.34Å; K234-A236 PolarHBondContact O-N 3.46Å; K234-E237 PolarHBondContact O-N 3.27Å; K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CB 3.22Å; K234-E238 WeakPolarHBondContact O-CG 3.27Å; K234-E238 PolarHBondContact O-N 3.41Å
235	A	64.9	Low	59.3	Low	39 Å²	39	75.8 Å²	75.8	32%	0.322	42%	0.417	S	S	.	.	H	α-helix	trans	-70.5	-26.4	178.3	0	0	0	0	0	113.9	P231 L233 R239	P231-A235 WeakPolarHBondContact O-CB 3.48Å; P231-A235 PolarHBondContact O-N 2.76Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 2.84Å; A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-NE 2.87Å
236	A	56.4	Low	58	Low	27 Å²	27	76.6 Å²	76.6	22%	0.223	42%	0.416	C	S	.	.	H	α-helix	trans	-74	-40.5	171.7	0	0	0	0	0	111	E232 L233 K234 N240	E232-A236 PolarHBondContact O-N 2.94Å; E232-A236 VanDerWaalsContact O-N 3.08Å; L233-A236 PolarHBondContact O-N 2.82Å; L233-A236 VanDerWaalsContact O-N 3.12Å; K234-A236 VanDerWaalsContact C-N 3.34Å; K234-A236 PolarHBondContact O-N 3.46Å; A236-N240 PolarHBondContact O-N 3.39Å; A236-N240 VanDerWaalsContact O-N 3.15Å
237	E	55	Low	56.4	Low	49 Å²	49	80.6 Å²	80.6	23%	0.229	43%	0.429	C	S	.	.	H	α-helix	trans	-69.2	-45.3	177.7	-172.5	163.5	167.8	0	0	112.5	H223 L227 L233 K234 R239 N240 L241	H223-E237 IonicContact CD2-OE1 2.68Å; H223-E237 IonicContact CD2-OE2 3.67Å; H223-E237 IonicContact CE1-OE1 3.69Å; H223-E237 IonicContact CE1-OE2 3.69Å; H223-E237 IonicContact NE2-OE1 2.79Å; H223-E237 PolarHBondContact NE2-OE1 2.85Å; H223-E237 IonicContact NE2-OE2 3.59Å; H223-E237 PolarHBondContact NE2-OE2 3.01Å; L227-E237 WeakPolarHBondContact CD1-OE2 3.26Å; L227-E237 HydrophobicContact CD2-CB 4.26Å; L227-E237 WeakPolarHBondContact CD2-OE2 3.36Å; L227-E237 WeakPolarHBondContact CG-OE2 3.43Å; L233-E237 WeakPolarHBondContact O-CB 3.44Å; L233-E237 PolarHBondContact O-N 3.45Å; K234-E237 PolarHBondContact O-N 3.27Å; E237-R239 PolarHBondContact O-N 2.96Å; E237-N240 CarbonylContact O-C 3.46Å; E237-N240 WeakPolarHBondContact O-CA 3.19Å; E237-N240 WeakPolarHBondContact O-CB 3.38Å; E237-N240 PolarHBondContact O-N 3.46Å; E237-L241 HydrophobicContact CG-CD1 3.76Å; E237-L241 HydrophobicContact CG-CG 4.24Å; E237-L241 WeakPolarHBondContact O-CB 3.14Å; E237-L241 PolarHBondContact O-N 3.35Å
238	E	64.6	Low	54.9	Low	109 Å²	109	85.1 Å²	85.1	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-57.1	-38.1	175.1	-77.5	174	-174.9	0	0	112.2	K234 N240 L241 D242	K234-E238 WeakPolarHBondContact CE-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CB 3.22Å; K234-E238 WeakPolarHBondContact O-CG 3.27Å; K234-E238 PolarHBondContact O-N 3.41Å; E238-N240 VanDerWaalsContact C-N 3.35Å; E238-L241 PolarHBondContact O-N 3.25Å; E238-D242 PolarHBondContact O-N 3.41Å
239	R	58.4	Low	53.4	Low	170 Å²	170	88.4 Å²	88.4	64%	0.642	45%	0.448	S	S	*	.	H	α-helix	trans	-66.3	-37.3	174	-79.7	-176.8	-79.5	172.4	-5.2	112.3	A235 E237 T243	A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-NE 2.87Å; E237-R239 PolarHBondContact O-N 2.96Å; R239-T243 PolarHBondContact O-N 3.01Å; R239-T243 PolarHBondContact O-OG1 2.82Å
240	N	51.2	Low	52	Low	62 Å²	62	86.3 Å²	86.3	33%	0.332	43%	0.431	S	S	.	.	H	α-helix	trans	-73.8	-37.4	175.8	-79.3	-15.5	0	0	0	112	A236 E237 E238 T243 T244	A236-N240 PolarHBondContact O-N 3.39Å; A236-N240 VanDerWaalsContact O-N 3.15Å; E237-N240 CarbonylContact O-C 3.46Å; E237-N240 WeakPolarHBondContact O-CA 3.19Å; E237-N240 WeakPolarHBondContact O-CB 3.38Å; E237-N240 PolarHBondContact O-N 3.46Å; E238-N240 VanDerWaalsContact C-N 3.35Å; N240-T243 WeakPolarHBondContact O-CB 3.43Å; N240-T243 PolarHBondContact O-N 3.46Å; N240-T244 VanDerWaalsContact O-CB 3.26Å; N240-T244 WeakPolarHBondContact O-CB 3.44Å; N240-T244 PolarHBondContact O-N 2.86Å; N240-T244 PolarHBondContact O-OG1 3.37Å
241	L	50.8	Low	50.3	Low	72 Å²	72	87.3 Å²	87.3	38%	0.377	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-48.1	174.6	-84.1	160.9	0	0	0	110.6	E237 E238 T243 T244 D245	E237-L241 HydrophobicContact CG-CD1 3.76Å; E237-L241 HydrophobicContact CG-CG 4.24Å; E237-L241 WeakPolarHBondContact O-CB 3.14Å; E237-L241 PolarHBondContact O-N 3.35Å; E238-L241 PolarHBondContact O-N 3.25Å; L241-T243 PolarHBondContact O-N 3.44Å; L241-T243 VanDerWaalsContact O-N 3.09Å; L241-T244 CarbonylContact O-C 3.51Å; L241-T244 PolarHBondContact O-N 3.48Å; L241-D245 WeakPolarHBondContact O-CA 3.2Å; L241-D245 WeakPolarHBondContact O-CB 3.25Å; L241-D245 VanDerWaalsContact O-CG 3.27Å; L241-D245 PolarHBondContact O-N 3.1Å
242	D	49.1	Very low	48.7	Very low	86 Å²	86	85.6 Å²	85.6	46%	0.46	42%	0.419	S	S	.	.	H	α-helix	trans	-57.2	-34.1	175.7	178.9	59.5	0	0	0	112	E238 K246	E238-D242 PolarHBondContact O-N 3.41Å; D242-K246 VanDerWaalsContact CG-NZ 3.25Å; D242-K246 WeakPolarHBondContact O-CB 3.47Å; D242-K246 WeakPolarHBondContact O-CD 3.41Å; D242-K246 VanDerWaalsContact O-CG 3.27Å; D242-K246 WeakPolarHBondContact O-CG 3.33Å; D242-K246 PolarHBondContact O-N 3.44Å; D242-K246 WeakPolarHBondContact OD1-CE 3.32Å; D242-K246 IonicContact OD1-NZ 2.86Å; D242-K246 PolarHBondContact OD1-NZ 3.08Å; D242-K246 IonicContact OD2-NZ 2.86Å; D242-K246 PolarHBondContact OD2-NZ 3.23Å
243	T	42.5	Very low	47.7	Very low	61 Å²	61	82.5 Å²	82.5	37%	0.374	41%	0.408	S	S	.	.	H	α-helix	trans	-72.1	-47.7	174.1	-54.5	0	0	0	0	111.1	R239 N240 L241 Y247	R239-T243 PolarHBondContact O-N 3.01Å; R239-T243 PolarHBondContact O-OG1 2.82Å; N240-T243 WeakPolarHBondContact O-CB 3.43Å; N240-T243 PolarHBondContact O-N 3.46Å; L241-T243 PolarHBondContact O-N 3.44Å; L241-T243 VanDerWaalsContact O-N 3.09Å; T243-Y247 HydrophobicContact CG2-CD2 4.12Å; T243-Y247 HydrophobicContact CG2-CE2 3.57Å; T243-Y247 WeakPolarHBondContact O-CD2 3.49Å; T243-Y247 WeakPolarHBondContact O-CE2 3.31Å; T243-Y247 PolarHBondContact O-N 3.46Å
244	T	35.3	Very low	46.7	Very low	73 Å²	73	84.1 Å²	84.1	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-73.7	-42.6	-175.2	-54.8	0	0	0	0	112.3	N240 L241 K246 Y247 F248	N240-T244 VanDerWaalsContact O-CB 3.26Å; N240-T244 WeakPolarHBondContact O-CB 3.44Å; N240-T244 PolarHBondContact O-N 2.86Å; N240-T244 PolarHBondContact O-OG1 3.37Å; L241-T244 CarbonylContact O-C 3.51Å; L241-T244 PolarHBondContact O-N 3.48Å; T244-K246 PolarHBondContact O-N 3.37Å; T244-Y247 CarbonylContact O-C 3.55Å; T244-Y247 WeakPolarHBondContact O-CA 3.37Å; T244-Y247 WeakPolarHBondContact O-CB 3.42Å; T244-Y247 PolarHBondContact O-N 3.13Å; T244-F248 WeakPolarHBondContact O-CB 3.27Å; T244-F248 PolarHBondContact O-N 3.43Å
245	D	39.6	Very low	45.3	Very low	63 Å²	63	83.1 Å²	83.1	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-43.4	174.3	-72.2	-12.8	0	0	0	110.9	L241 Y247 F248 Y249	L241-D245 WeakPolarHBondContact O-CA 3.2Å; L241-D245 WeakPolarHBondContact O-CB 3.25Å; L241-D245 VanDerWaalsContact O-CG 3.27Å; L241-D245 PolarHBondContact O-N 3.1Å; D245-Y247 PolarHBondContact O-N 3.34Å; D245-F248 PolarHBondContact O-N 3.39Å; D245-F248 VanDerWaalsContact O-N 3.12Å; D245-Y249 HydrophobicContact CB-CD2 4.09Å; D245-Y249 HydrophobicContact CB-CE2 3.98Å; D245-Y249 WeakPolarHBondContact O-CB 3.25Å; D245-Y249 WeakPolarHBondContact O-CD2 3.33Å; D245-Y249 PolarHBondContact O-N 2.85Å
246	K	45.8	Very low	44.4	Very low	129 Å²	129	87.3 Å²	87.3	56%	0.561	43%	0.425	S	S	*	.	H	α-helix	trans	-57.5	-37.6	171.4	-79.9	172.2	-175	145.4	0	111.9	D242 T244 A250	D242-K246 VanDerWaalsContact CG-NZ 3.25Å; D242-K246 WeakPolarHBondContact O-CB 3.47Å; D242-K246 WeakPolarHBondContact O-CD 3.41Å; D242-K246 VanDerWaalsContact O-CG 3.27Å; D242-K246 WeakPolarHBondContact O-CG 3.33Å; D242-K246 PolarHBondContact O-N 3.44Å; D242-K246 WeakPolarHBondContact OD1-CE 3.32Å; D242-K246 IonicContact OD1-NZ 2.86Å; D242-K246 PolarHBondContact OD1-NZ 3.08Å; D242-K246 IonicContact OD2-NZ 2.86Å; D242-K246 PolarHBondContact OD2-NZ 3.23Å; T244-K246 PolarHBondContact O-N 3.37Å; K246-A250 WeakPolarHBondContact O-CB 3.13Å; K246-A250 PolarHBondContact O-N 3.26Å
247	Y	34	Very low	43.6	Very low	130 Å²	130	90.5 Å²	90.5	51%	0.51	44%	0.438	S	S	.	.	H	α-helix	trans	-75.6	-36.6	174.3	-67.2	-57.5	0	0	0	112.8	M127 T243 T244 D245 A250 L251	M127-Y247 HydrophobicContact CE-CD1 4.42Å; M127-Y247 HydrophobicContact CE-CE1 3.71Å; T243-Y247 HydrophobicContact CG2-CD2 4.12Å; T243-Y247 HydrophobicContact CG2-CE2 3.57Å; T243-Y247 WeakPolarHBondContact O-CD2 3.49Å; T243-Y247 WeakPolarHBondContact O-CE2 3.31Å; T243-Y247 PolarHBondContact O-N 3.46Å; T244-Y247 CarbonylContact O-C 3.55Å; T244-Y247 WeakPolarHBondContact O-CA 3.37Å; T244-Y247 WeakPolarHBondContact O-CB 3.42Å; T244-Y247 PolarHBondContact O-N 3.13Å; D245-Y247 PolarHBondContact O-N 3.34Å; Y247-A250 PolarHBondContact O-N 3.01Å; Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.43Å; Y247-L251 PolarHBondContact O-N 3.03Å
248	F	34.4	Very low	42.6	Very low	110 Å²	110	90.4 Å²	90.4	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-78	-38.6	-174.9	-157.8	-89.3	0	0	0	111.2	T244 D245 L251 N252	T244-F248 WeakPolarHBondContact O-CB 3.27Å; T244-F248 PolarHBondContact O-N 3.43Å; D245-F248 PolarHBondContact O-N 3.39Å; D245-F248 VanDerWaalsContact O-N 3.12Å; F248-L251 CarbonylContact O-C 3.52Å; F248-L251 PolarHBondContact O-N 3.14Å; F248-N252 VanDerWaalsContact CE1-ND2 3.27Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.36Å; F248-N252 WeakPolarHBondContact O-CA 3.43Å; F248-N252 VanDerWaalsContact O-CB 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.3Å; F248-N252 PolarHBondContact O-N 2.96Å
249	Y	41.1	Very low	41.4	Very low	153 Å²	153	92 Å²	92	60%	0.6	44%	0.443	S	S	*	.	H	α-helix	trans	-62.1	-46.3	167.8	-74.9	-62.5	0	0	0	110.7	D245 L251 N252 D253	D245-Y249 HydrophobicContact CB-CD2 4.09Å; D245-Y249 HydrophobicContact CB-CE2 3.98Å; D245-Y249 WeakPolarHBondContact O-CB 3.25Å; D245-Y249 WeakPolarHBondContact O-CD2 3.33Å; D245-Y249 PolarHBondContact O-N 2.85Å; Y249-L251 PolarHBondContact O-N 2.71Å; Y249-N252 PolarHBondContact O-N 2.99Å; Y249-D253 WeakPolarHBondContact O-CB 3.28Å; Y249-D253 PolarHBondContact O-N 3.34Å
250	A	39.6	Very low	40.6	Very low	42 Å²	42	88 Å²	88	35%	0.347	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-37.8	173.1	0	0	0	0	0	111.7	K246 Y247 H254	K246-A250 WeakPolarHBondContact O-CB 3.13Å; K246-A250 PolarHBondContact O-N 3.26Å; Y247-A250 PolarHBondContact O-N 3.01Å; A250-H254 WeakPolarHBondContact O-CB 3.3Å; A250-H254 PolarHBondContact O-CE1 3.09Å; A250-H254 PolarHBondContact O-N 3.49Å; A250-H254 VanDerWaalsContact O-N 3.12Å; A250-H254 PolarHBondContact O-ND1 3.48Å
251	L	33.1	Very low	40	Very low	52 Å²	52	86.8 Å²	86.8	27%	0.272	43%	0.428	S	S	.	.	H	α-helix	trans	-74.4	-32.9	177.8	-147.2	94.9	0	0	0	113	Y124 Y247 F248 Y249 H254 L255	Y124-L251 HydrophobicContact CD2-CD1 3.64Å; Y124-L251 HydrophobicContact CE2-CD1 3.23Å; Y124-L251 HydrophobicContact CG-CD1 4.49Å; Y247-L251 VanDerWaalsContact O-CB 3.28Å; Y247-L251 WeakPolarHBondContact O-CB 3.43Å; Y247-L251 PolarHBondContact O-N 3.03Å; F248-L251 CarbonylContact O-C 3.52Å; F248-L251 PolarHBondContact O-N 3.14Å; Y249-L251 PolarHBondContact O-N 2.71Å; L251-H254 CarbonylContact O-C 3.49Å; L251-L255 HydrophobicContact CD2-CD1 3.83Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CA 3.43Å; L251-L255 WeakPolarHBondContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CG 2.92Å; L251-L255 PolarHBondContact O-N 3.37Å
252	N	37.9	Very low	39.2	Very low	64 Å²	64	87 Å²	87	34%	0.342	43%	0.427	S	S	.	.	H	α-helix	trans	-76.9	-43.6	178.8	-96.1	-2.1	0	0	0	111	F248 Y249 H254 L255 E256	F248-N252 VanDerWaalsContact CE1-ND2 3.27Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.36Å; F248-N252 WeakPolarHBondContact O-CA 3.43Å; F248-N252 VanDerWaalsContact O-CB 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.3Å; F248-N252 PolarHBondContact O-N 2.96Å; Y249-N252 PolarHBondContact O-N 2.99Å; N252-H254 PolarHBondContact O-N 2.94Å; N252-L255 CarbonylContact O-C 3.46Å; N252-L255 PolarHBondContact O-N 3.27Å; N252-E256 VanDerWaalsContact O-CB 3.3Å; N252-E256 WeakPolarHBondContact O-CB 3.41Å; N252-E256 PolarHBondContact O-N 2.91Å
253	D	46.8	Very low	38.6	Very low	100 Å²	100	86.9 Å²	86.9	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-55.3	-45	168.7	-75.3	-5.7	0	0	0	108.9	Y249 I257	Y249-D253 WeakPolarHBondContact O-CB 3.28Å; Y249-D253 PolarHBondContact O-N 3.34Å; D253-I257 WeakPolarHBondContact O-CB 3.49Å; D253-I257 VanDerWaalsContact O-CD1 3.26Å; D253-I257 WeakPolarHBondContact O-CD1 3.23Å; D253-I257 WeakPolarHBondContact O-CG1 3.22Å; D253-I257 PolarHBondContact O-N 3.31Å; D253-I257 VanDerWaalsContact O-N 3.12Å
254	H	35.9	Very low	38.4	Very low	86 Å²	86	85.2 Å²	85.2	40%	0.398	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-47.6	171.6	-64.4	152.8	0	0	0	112	A250 L251 N252 E256 I257 L258	A250-H254 WeakPolarHBondContact O-CB 3.3Å; A250-H254 PolarHBondContact O-CE1 3.09Å; A250-H254 PolarHBondContact O-N 3.49Å; A250-H254 VanDerWaalsContact O-N 3.12Å; A250-H254 PolarHBondContact O-ND1 3.48Å; L251-H254 CarbonylContact O-C 3.49Å; N252-H254 PolarHBondContact O-N 2.94Å; H254-E256 VanDerWaalsContact C-N 3.34Å; H254-E256 PolarHBondContact O-N 3.3Å; H254-I257 CarbonylContact O-C 3.57Å; H254-I257 WeakPolarHBondContact O-CA 3.43Å; H254-I257 WeakPolarHBondContact O-CB 3.25Å; H254-I257 PolarHBondContact O-N 2.93Å; H254-L258 WeakPolarHBondContact O-CB 3.46Å; H254-L258 WeakPolarHBondContact O-CG 3.35Å; H254-L258 PolarHBondContact O-N 2.85Å
255	L	35.6	Very low	38.5	Very low	68 Å²	68	87 Å²	87	36%	0.356	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-30.9	-176.9	-95.6	157.6	0	0	0	113.5	L251 N252 L258 K259	L251-L255 HydrophobicContact CD2-CD1 3.83Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CA 3.43Å; L251-L255 WeakPolarHBondContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CG 2.92Å; L251-L255 PolarHBondContact O-N 3.37Å; N252-L255 CarbonylContact O-C 3.46Å; N252-L255 PolarHBondContact O-N 3.27Å; L255-L258 HydrophobicContact CD2-CD1 4.34Å; L255-L258 HydrophobicContact CG-CD1 4.34Å; L255-L258 CarbonylContact O-C 3.48Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; L255-L258 PolarHBondContact O-N 3.47Å; L255-K259 WeakPolarHBondContact O-CB 3.39Å; L255-K259 WeakPolarHBondContact O-CG 3.46Å; L255-K259 PolarHBondContact O-N 2.92Å
256	E	45.8	Very low	38.1	Very low	128 Å²	128	87.5 Å²	87.5	60%	0.598	41%	0.414	S	S	*	.	H	α-helix	trans	-74.4	-43.1	174.6	-171.1	164.4	-173.6	0	0	110.1	N252 H254 L258 K259 N260	N252-E256 VanDerWaalsContact O-CB 3.3Å; N252-E256 WeakPolarHBondContact O-CB 3.41Å; N252-E256 PolarHBondContact O-N 2.91Å; H254-E256 VanDerWaalsContact C-N 3.34Å; H254-E256 PolarHBondContact O-N 3.3Å; E256-L258 PolarHBondContact O-N 3.35Å; E256-K259 PolarHBondContact O-N 2.87Å; E256-N260 PolarHBondContact O-N 3.12Å; E256-N260 VanDerWaalsContact O-N 3.1Å; E256-N260 PolarHBondContact O-ND2 3.46Å
257	I	40	Very low	37.6	Very low	94 Å²	94	84.7 Å²	84.7	48%	0.482	41%	0.406	S	S	.	.	H	α-helix	trans	-55	-42.4	164.4	-67.1	165.4	0	0	0	109.6	D253 H254 N260 L261	D253-I257 WeakPolarHBondContact O-CB 3.49Å; D253-I257 VanDerWaalsContact O-CD1 3.26Å; D253-I257 WeakPolarHBondContact O-CD1 3.23Å; D253-I257 WeakPolarHBondContact O-CG1 3.22Å; D253-I257 PolarHBondContact O-N 3.31Å; D253-I257 VanDerWaalsContact O-N 3.12Å; H254-I257 CarbonylContact O-C 3.57Å; H254-I257 WeakPolarHBondContact O-CA 3.43Å; H254-I257 WeakPolarHBondContact O-CB 3.25Å; H254-I257 PolarHBondContact O-N 2.93Å; I257-N260 PolarHBondContact O-N 3.25Å; I257-L261 HydrophobicContact CG2-CD1 3.7Å; I257-L261 HydrophobicContact CG2-CG 4.31Å; I257-L261 WeakPolarHBondContact O-CB 3.38Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.98Å
258	L	33.8	Very low	37.6	Very low	47 Å²	47	81.9 Å²	81.9	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-70.3	-40.3	-179.5	-67.5	170.7	0	0	0	113.6	F117 H254 L255 E256 N260 L261 E262	F117-L258 HydrophobicContact CD2-CD2 3.23Å; F117-L258 HydrophobicContact CE2-CD2 2.95Å; F117-L258 HydrophobicContact CE2-CG 4.3Å; F117-L258 HydrophobicContact CG-CD2 4.42Å; F117-L258 HydrophobicContact CZ-CD2 3.94Å; H254-L258 WeakPolarHBondContact O-CB 3.46Å; H254-L258 WeakPolarHBondContact O-CG 3.35Å; H254-L258 PolarHBondContact O-N 2.85Å; L255-L258 HydrophobicContact CD2-CD1 4.34Å; L255-L258 HydrophobicContact CG-CD1 4.34Å; L255-L258 CarbonylContact O-C 3.48Å; L255-L258 WeakPolarHBondContact O-CB 3.28Å; L255-L258 PolarHBondContact O-N 3.47Å; E256-L258 PolarHBondContact O-N 3.35Å; L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 3.45Å; L258-L261 CarbonylContact O-C 3.37Å; L258-L261 PolarHBondContact O-N 3.07Å; L258-E262 WeakPolarHBondContact O-CA 3.3Å; L258-E262 WeakPolarHBondContact O-CB 3.4Å; L258-E262 PolarHBondContact O-N 2.87Å
259	K	38.7	Very low	37.4	Very low	141 Å²	141	78.8 Å²	78.8	61%	0.613	39%	0.39	S	S	*	.	H	α-helix	trans	-63.3	-41.5	176.1	-81.3	177.3	178.4	178.2	0	109.7	L255 E256 L261 E262 I263	L255-K259 WeakPolarHBondContact O-CB 3.39Å; L255-K259 WeakPolarHBondContact O-CG 3.46Å; L255-K259 PolarHBondContact O-N 2.92Å; E256-K259 PolarHBondContact O-N 2.87Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.5Å; K259-E262 PolarHBondContact O-N 3.46Å; K259-I263 WeakPolarHBondContact O-CB 3.45Å; K259-I263 WeakPolarHBondContact O-CD1 3.22Å; K259-I263 WeakPolarHBondContact O-CG1 3.47Å; K259-I263 PolarHBondContact O-N 3.4Å
260	N	42.6	Very low	37	Very low	87 Å²	87	78.6 Å²	78.6	47%	0.465	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.3	-69.2	-21.3	0	0	0	111.7	E256 I257 L258 Q264	E256-N260 PolarHBondContact O-N 3.12Å; E256-N260 VanDerWaalsContact O-N 3.1Å; E256-N260 PolarHBondContact O-ND2 3.46Å; I257-N260 PolarHBondContact O-N 3.25Å; L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 3.45Å; N260-Q264 VanDerWaalsContact O-CG 3.27Å; N260-Q264 WeakPolarHBondContact O-CG 3.35Å; N260-Q264 PolarHBondContact O-N 2.97Å; N260-Q264 PolarHBondContact O-NE2 2.92Å
261	L	38.6	Very low	36.8	Very low	37 Å²	37	83 Å²	83	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-77.9	-29.4	176.4	-67.1	172.5	0	0	0	114.1	Y20 F117 I257 L258 K259 Q264 R265	Y20-L261 HydrophobicContact CD2-CD2 4.45Å; Y20-L261 HydrophobicContact CE2-CD2 4.36Å; F117-L261 HydrophobicContact CB-CD1 4.41Å; I257-L261 HydrophobicContact CG2-CD1 3.7Å; I257-L261 HydrophobicContact CG2-CG 4.31Å; I257-L261 WeakPolarHBondContact O-CB 3.38Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.98Å; L258-L261 CarbonylContact O-C 3.37Å; L258-L261 PolarHBondContact O-N 3.07Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.5Å; L261-Q264 WeakPolarHBondContact O-CB 3.35Å; L261-R265 WeakPolarHBondContact O-CB 3.33Å; L261-R265 PolarHBondContact O-N 3.02Å
262	E	33.3	Very low	36.7	Very low	75 Å²	75	83.9 Å²	83.9	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-78.4	-36.5	179.2	-171.8	94.8	-175.5	0	0	109.6	L258 K259 Q264 R265 I266	L258-E262 WeakPolarHBondContact O-CA 3.3Å; L258-E262 WeakPolarHBondContact O-CB 3.4Å; L258-E262 PolarHBondContact O-N 2.87Å; K259-E262 PolarHBondContact O-N 3.46Å; E262-Q264 VanDerWaalsContact C-N 3.34Å; E262-R265 VanDerWaalsContact CD-CZ 3.43Å; E262-R265 CarbonylContact O-C 3.58Å; E262-R265 WeakPolarHBondContact O-CA 3.43Å; E262-R265 WeakPolarHBondContact O-CB 3.26Å; E262-R265 PolarHBondContact O-N 3.31Å; E262-R265 VanDerWaalsContact O-N 3.11Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NH1 3.02Å; E262-R265 PolarHBondContact OE1-NH1 3.46Å; E262-R265 IonicContact OE1-NH2 3.01Å; E262-R265 PolarHBondContact OE1-NH2 2.66Å; E262-R265 IonicContact OE2-CZ 2.74Å; E262-R265 IonicContact OE2-NH1 3.02Å; E262-R265 PolarHBondContact OE2-NH1 2.89Å; E262-R265 IonicContact OE2-NH2 3.91Å; E262-I266 HydrophobicContact CG-CD1 4.28Å; E262-I266 WeakPolarHBondContact O-CB 3.42Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.28Å; E262-I266 PolarHBondContact O-N 2.92Å
263	I	37.1	Very low	36.5	Very low	84 Å²	84	83.8 Å²	83.8	43%	0.431	42%	0.42	S	S	.	.	H	α-helix	trans	-59.2	-47.5	167.4	-70.8	165.5	0	0	0	109.4	K259 R265 I266 D267	K259-I263 WeakPolarHBondContact O-CB 3.45Å; K259-I263 WeakPolarHBondContact O-CD1 3.22Å; K259-I263 WeakPolarHBondContact O-CG1 3.47Å; K259-I263 PolarHBondContact O-N 3.4Å; I263-R265 VanDerWaalsContact C-N 3.26Å; I263-R265 PolarHBondContact O-N 2.94Å; I263-I266 PolarHBondContact O-N 2.92Å; I263-I266 VanDerWaalsContact O-N 3.16Å; I263-D267 PolarHBondContact O-N 3.34Å
264	Q	38.1	Very low	35.9	Very low	27 Å²	27	82.5 Å²	82.5	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-57.1	-39.4	171.4	-71.9	165.2	28.8	0	0	112.2	Q19 N260 L261 E262 V268	Q19-Q264 HydrophobicContact CB-CG 3.83Å; Q19-Q264 HydrophobicContact CG-CG 3.79Å; Q19-Q264 PolarHBondContact O-NE2 3.28Å; N260-Q264 VanDerWaalsContact O-CG 3.27Å; N260-Q264 WeakPolarHBondContact O-CG 3.35Å; N260-Q264 PolarHBondContact O-N 2.97Å; N260-Q264 PolarHBondContact O-NE2 2.92Å; L261-Q264 WeakPolarHBondContact O-CB 3.35Å; E262-Q264 VanDerWaalsContact C-N 3.34Å; Q264-V268 WeakPolarHBondContact O-CG2 3.5Å; Q264-V268 PolarHBondContact O-N 3.36Å; Q264-V268 VanDerWaalsContact O-N 3.16Å
265	R	35.9	Very low	36.1	Very low	111 Å²	111	85.5 Å²	85.5	42%	0.419	43%	0.431	S	S	.	.	H	α-helix	trans	-68.1	-41.2	177.4	-147.1	-165.1	70.1	-146.6	-5.7	111.7	L261 E262 I263 V268 L269	L261-R265 WeakPolarHBondContact O-CB 3.33Å; L261-R265 PolarHBondContact O-N 3.02Å; E262-R265 VanDerWaalsContact CD-CZ 3.43Å; E262-R265 CarbonylContact O-C 3.58Å; E262-R265 WeakPolarHBondContact O-CA 3.43Å; E262-R265 WeakPolarHBondContact O-CB 3.26Å; E262-R265 PolarHBondContact O-N 3.31Å; E262-R265 VanDerWaalsContact O-N 3.11Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NH1 3.02Å; E262-R265 PolarHBondContact OE1-NH1 3.46Å; E262-R265 IonicContact OE1-NH2 3.01Å; E262-R265 PolarHBondContact OE1-NH2 2.66Å; E262-R265 IonicContact OE2-CZ 2.74Å; E262-R265 IonicContact OE2-NH1 3.02Å; E262-R265 PolarHBondContact OE2-NH1 2.89Å; E262-R265 IonicContact OE2-NH2 3.91Å; I263-R265 VanDerWaalsContact C-N 3.26Å; I263-R265 PolarHBondContact O-N 2.94Å; R265-V268 PolarHBondContact O-N 3.25Å; R265-L269 HydrophobicContact CB-CD1 4.34Å; R265-L269 HydrophobicContact CG-CD1 3.45Å; R265-L269 VanDerWaalsContact CG-CD1 3.45Å; R265-L269 HydrophobicContact CG-CG 4.18Å; R265-L269 WeakPolarHBondContact O-CB 3.45Å; R265-L269 WeakPolarHBondContact O-CD1 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.15Å; R265-L269 PolarHBondContact O-N 3.01Å
266	I	32.9	Very low	36.3	Very low	72 Å²	72	87 Å²	87	37%	0.369	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-43.9	178.2	-72.8	167.6	0	0	0	109	E262 I263 V268 L269 E270	E262-I266 HydrophobicContact CG-CD1 4.28Å; E262-I266 WeakPolarHBondContact O-CB 3.42Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.28Å; E262-I266 PolarHBondContact O-N 2.92Å; I263-I266 PolarHBondContact O-N 2.92Å; I263-I266 VanDerWaalsContact O-N 3.16Å; I266-V268 VanDerWaalsContact C-N 3.28Å; I266-V268 PolarHBondContact O-N 3.47Å; I266-L269 PolarHBondContact O-N 3.18Å; I266-E270 HydrophobicContact CG2-CG 3.82Å; I266-E270 VanDerWaalsContact O-CB 3.23Å; I266-E270 WeakPolarHBondContact O-CB 3.28Å; I266-E270 WeakPolarHBondContact O-CG 3.3Å; I266-E270 PolarHBondContact O-N 3.38Å
267	D	35	Very low	36.1	Very low	71 Å²	71	84 Å²	84	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-35	176.9	-68.5	-24.2	0	0	0	112.7	I263	I263-D267 PolarHBondContact O-N 3.34Å
268	V	32.9	Very low	36.2	Very low	70 Å²	70	84.2 Å²	84.2	42%	0.424	42%	0.421	S	S	.	.	H	α-helix	trans	-77.9	-36.2	176.3	173.7	0	0	0	0	112.7	L16 Q264 R265 I266	L16-V268 HydrophobicContact CD2-CG2 3.3Å; L16-V268 HydrophobicContact CG-CG2 4.34Å; Q264-V268 WeakPolarHBondContact O-CG2 3.5Å; Q264-V268 PolarHBondContact O-N 3.36Å; Q264-V268 VanDerWaalsContact O-N 3.16Å; R265-V268 PolarHBondContact O-N 3.25Å; I266-V268 VanDerWaalsContact C-N 3.28Å; I266-V268 PolarHBondContact O-N 3.47Å
269	L	31.4	Very low	37	Very low	45 Å²	45	87 Å²	87	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-91.9	-21.1	-173.8	-63.5	169.4	0	0	0	113.2	R265 I266 L271 L272 R277	R265-L269 HydrophobicContact CB-CD1 4.34Å; R265-L269 HydrophobicContact CG-CD1 3.45Å; R265-L269 VanDerWaalsContact CG-CD1 3.45Å; R265-L269 HydrophobicContact CG-CG 4.18Å; R265-L269 WeakPolarHBondContact O-CB 3.45Å; R265-L269 WeakPolarHBondContact O-CD1 3.25Å; R265-L269 WeakPolarHBondContact O-CG 3.15Å; R265-L269 PolarHBondContact O-N 3.01Å; I266-L269 PolarHBondContact O-N 3.18Å; L269-L271 PolarHBondContact O-N 3.08Å; L269-L272 CarbonylContact O-C 3.49Å; L269-L272 PolarHBondContact O-N 3.31Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L269-R277 VanDerWaalsContact CD2-CD 3.41Å
270	E	32.5	Very low	37.5	Very low	149 Å²	149	84.4 Å²	84.4	70%	0.696	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.3	173	-84.8	-169.8	159.2	0	0	112.6	I266	I266-E270 HydrophobicContact CG2-CG 3.82Å; I266-E270 VanDerWaalsContact O-CB 3.23Å; I266-E270 WeakPolarHBondContact O-CB 3.28Å; I266-E270 WeakPolarHBondContact O-CG 3.3Å; I266-E270 PolarHBondContact O-N 3.38Å
271	L	36.1	Very low	37.5	Very low	136 Å²	136	87.3 Å²	87.3	71%	0.712	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.8	173.1	-67.9	172.6	0	0	0	114	L269	L269-L271 PolarHBondContact O-N 3.08Å
272	L	30.7	Very low	38.1	Very low	70 Å²	70	90.9 Å²	90.9	37%	0.366	45%	0.445	S	S	.	.	S	Bend	trans	-141.6	124.8	-179.5	-65.9	173	0	0	0	112.4	L269 E276 R277 M280	L269-L272 CarbonylContact O-C 3.49Å; L269-L272 PolarHBondContact O-N 3.31Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L272-E276 HydrophobicContact CB-CB 4.48Å; L272-E276 HydrophobicContact CD2-CB 4.34Å; L272-R277 HydrophobicContact CB-CG 3.76Å; L272-R277 PolarHBondContact O-NE 3.31Å; L272-M280 HydrophobicContact CD1-SD 4.45Å
273	S	33.1	Very low	38.9	Very low	61 Å²	61	90.1 Å²	90.1	43%	0.427	45%	0.448	S	S	.	.			trans	-60.8	152.2	174	71.4	0	0	0	0	111.7	K275 E276 R277	S273-K275 PolarHBondContact O-N 2.97Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 3.24Å; S273-E276 PolarHBondContact O-N 2.86Å; S273-E276 VanDerWaalsContact OG-CD 3.26Å; S273-E276 WeakPolarHBondContact OG-CG 3.32Å; S273-E276 PolarHBondContact OG-N 2.63Å; S273-E276 PolarHBondContact OG-OE2 3.49Å; S273-R277 WeakPolarHBondContact O-CG 3.47Å; S273-R277 PolarHBondContact O-N 3.47Å
274	S	33.7	Very low	39.3	Very low	73 Å²	73	89.1 Å²	89.1	51%	0.51	44%	0.443	S	S	.	.	H	α-helix	trans	-51.1	-30	177	-52.7	0	0	0	0	113.9	R277 I278	S274-R277 PolarHBondContact OG-NH2 3.4Å; S274-I278 WeakPolarHBondContact O-CG1 3.49Å; S274-I278 PolarHBondContact O-N 2.91Å
275	K	40.2	Very low	39.2	Very low	149 Å²	149	92.9 Å²	92.9	65%	0.648	46%	0.463	S	S	*	.	H	α-helix	trans	-74.4	-43.6	177.1	-171.7	179.1	178.4	-176.2	0	112	S273 R277 I278 Q279	S273-K275 PolarHBondContact O-N 2.97Å; K275-R277 VanDerWaalsContact C-N 3.3Å; K275-R277 PolarHBondContact O-N 2.83Å; K275-I278 PolarHBondContact O-N 3.28Å; K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.28Å; K275-Q279 WeakPolarHBondContact O-CG 3.34Å; K275-Q279 PolarHBondContact O-N 2.52Å
276	E	40.3	Very low	39.7	Very low	99 Å²	99	93.8 Å²	93.8	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-36.3	175.5	-71.1	160.2	142.8	0	0	111.3	L272 S273 Q279 M280	L272-E276 HydrophobicContact CB-CB 4.48Å; L272-E276 HydrophobicContact CD2-CB 4.34Å; S273-E276 WeakPolarHBondContact CB-OE2 3.49Å; S273-E276 PolarHBondContact N-OE2 3.24Å; S273-E276 PolarHBondContact O-N 2.86Å; S273-E276 VanDerWaalsContact OG-CD 3.26Å; S273-E276 WeakPolarHBondContact OG-CG 3.32Å; S273-E276 PolarHBondContact OG-N 2.63Å; S273-E276 PolarHBondContact OG-OE2 3.49Å; E276-Q279 PolarHBondContact O-N 2.79Å; E276-M280 VanDerWaalsContact O-CB 3.29Å; E276-M280 WeakPolarHBondContact O-CB 3.17Å; E276-M280 PolarHBondContact O-N 2.94Å
277	R	41.5	Very low	40.2	Very low	65 Å²	65	97.4 Å²	97.4	25%	0.245	49%	0.487	C	S	.	.	H	α-helix	trans	-64.1	-47.1	177	-69.4	-177.8	-69	173.7	-0	112.7	L269 L272 S273 S274 K275 M280 Y281	L269-R277 VanDerWaalsContact CD2-CD 3.41Å; L272-R277 HydrophobicContact CB-CG 3.76Å; L272-R277 PolarHBondContact O-NE 3.31Å; S273-R277 WeakPolarHBondContact O-CG 3.47Å; S273-R277 PolarHBondContact O-N 3.47Å; S274-R277 PolarHBondContact OG-NH2 3.4Å; K275-R277 VanDerWaalsContact C-N 3.3Å; K275-R277 PolarHBondContact O-N 2.83Å; R277-M280 PolarHBondContact O-N 3.05Å; R277-Y281 WeakPolarHBondContact O-CD2 3.37Å; R277-Y281 PolarHBondContact O-N 3.35Å; R277-Y281 VanDerWaalsContact O-N 3.15Å
278	I	42.6	Very low	40.3	Very low	100 Å²	100	100.2 Å²	100.2	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-44.8	177.7	-68.5	169.3	0	0	0	110.2	S274 K275 M280 Y281 E282	S274-I278 WeakPolarHBondContact O-CG1 3.49Å; S274-I278 PolarHBondContact O-N 2.91Å; K275-I278 PolarHBondContact O-N 3.28Å; I278-M280 VanDerWaalsContact C-N 3.31Å; I278-M280 PolarHBondContact O-N 3.32Å; I278-Y281 PolarHBondContact O-N 2.92Å; I278-E282 HydrophobicContact CG2-CG 4.27Å; I278-E282 WeakPolarHBondContact O-CB 3.16Å; I278-E282 VanDerWaalsContact O-CG 3.31Å; I278-E282 WeakPolarHBondContact O-CG 3.41Å; I278-E282 PolarHBondContact O-N 3.49Å
279	Q	50.3	Low	40.6	Very low	104 Å²	104	103.8 Å²	103.8	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-36.1	177.9	-73.5	178.9	-35.7	0	0	112.8	K275 E276 S283	K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 VanDerWaalsContact O-CG 3.28Å; K275-Q279 WeakPolarHBondContact O-CG 3.34Å; K275-Q279 PolarHBondContact O-N 2.52Å; E276-Q279 PolarHBondContact O-N 2.79Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 3.26Å
280	M	48.1	Very low	41	Very low	87 Å²	87	110.8 Å²	110.8	43%	0.429	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-47.8	177.1	-166.9	-175.4	90.9	0	0	111.3	L272 E276 R277 I278 E282 S283 I284	L272-M280 HydrophobicContact CD1-SD 4.45Å; E276-M280 VanDerWaalsContact O-CB 3.29Å; E276-M280 WeakPolarHBondContact O-CB 3.17Å; E276-M280 PolarHBondContact O-N 2.94Å; R277-M280 PolarHBondContact O-N 3.05Å; I278-M280 VanDerWaalsContact C-N 3.31Å; I278-M280 PolarHBondContact O-N 3.32Å; M280-E282 VanDerWaalsContact C-N 3.35Å; M280-E282 PolarHBondContact O-N 2.77Å; M280-S283 PolarHBondContact O-N 3.03Å; M280-I284 HydrophobicContact CE-CD1 4.1Å; M280-I284 HydrophobicContact CG-CD1 3.98Å; M280-I284 VanDerWaalsContact O-CG1 3.26Å; M280-I284 WeakPolarHBondContact O-CG1 3.37Å; M280-I284 PolarHBondContact O-N 3.44Å
281	Y	44	Very low	41.4	Very low	148 Å²	148	108.9 Å²	108.9	58%	0.58	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-40.3	176.6	-71	-57.7	0	0	0	112.1	R277 I278 L285	R277-Y281 WeakPolarHBondContact O-CD2 3.37Å; R277-Y281 PolarHBondContact O-N 3.35Å; R277-Y281 VanDerWaalsContact O-N 3.15Å; I278-Y281 PolarHBondContact O-N 2.92Å; Y281-L285 WeakPolarHBondContact O-CB 3.4Å; Y281-L285 WeakPolarHBondContact O-CD1 3.34Å; Y281-L285 VanDerWaalsContact O-CG 3.26Å; Y281-L285 WeakPolarHBondContact O-CG 3.38Å; Y281-L285 PolarHBondContact O-N 3.24Å
282	E	50.8	Low	41.7	Very low	113 Å²	113	107.5 Å²	107.5	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-40.6	174.9	-74.8	176.8	163.7	0	0	112.1	I278 M280 L285 Q286	I278-E282 HydrophobicContact CG2-CG 4.27Å; I278-E282 WeakPolarHBondContact O-CB 3.16Å; I278-E282 VanDerWaalsContact O-CG 3.31Å; I278-E282 WeakPolarHBondContact O-CG 3.41Å; I278-E282 PolarHBondContact O-N 3.49Å; M280-E282 VanDerWaalsContact C-N 3.35Å; M280-E282 PolarHBondContact O-N 2.77Å; E282-L285 PolarHBondContact O-N 3.13Å; E282-Q286 WeakPolarHBondContact O-CB 3.31Å; E282-Q286 WeakPolarHBondContact O-CG 3.29Å; E282-Q286 PolarHBondContact O-N 2.95Å
283	S	50.3	Low	42.3	Very low	59 Å²	59	109.6 Å²	109.6	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-70.9	-39.9	-179.9	-159.3	0	0	0	0	112.2	Q279 M280 Q286 E287	Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 3.26Å; M280-S283 PolarHBondContact O-N 3.03Å; S283-Q286 PolarHBondContact O-N 3.39Å; S283-E287 WeakPolarHBondContact O-CB 3.45Å; S283-E287 PolarHBondContact O-N 3.02Å
284	I	44.1	Very low	42.8	Very low	63 Å²	63	112.4 Å²	112.4	32%	0.323	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-46.9	173.9	-69	165.6	0	0	0	109.8	M280 Q286 E287 E288	M280-I284 HydrophobicContact CE-CD1 4.1Å; M280-I284 HydrophobicContact CG-CD1 3.98Å; M280-I284 VanDerWaalsContact O-CG1 3.26Å; M280-I284 WeakPolarHBondContact O-CG1 3.37Å; M280-I284 PolarHBondContact O-N 3.44Å; I284-Q286 VanDerWaalsContact C-N 3.33Å; I284-Q286 PolarHBondContact O-N 3.15Å; I284-E287 PolarHBondContact O-N 2.84Å; I284-E288 WeakPolarHBondContact O-CB 3.19Å; I284-E288 WeakPolarHBondContact O-CG 3.23Å; I284-E288 PolarHBondContact O-N 3.21Å; I284-E288 VanDerWaalsContact O-N 3.09Å
285	L	37.7	Very low	43.4	Very low	105 Å²	105	114.9 Å²	114.9	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-63.9	-37.2	177.8	-73.8	166.9	0	0	0	112.3	Y281 E282 L289	Y281-L285 WeakPolarHBondContact O-CB 3.4Å; Y281-L285 WeakPolarHBondContact O-CD1 3.34Å; Y281-L285 VanDerWaalsContact O-CG 3.26Å; Y281-L285 WeakPolarHBondContact O-CG 3.38Å; Y281-L285 PolarHBondContact O-N 3.24Å; E282-L285 PolarHBondContact O-N 3.13Å; L285-L289 VanDerWaalsContact O-CB 3.3Å; L285-L289 WeakPolarHBondContact O-CB 3.27Å; L285-L289 VanDerWaalsContact O-CD1 3.27Å; L285-L289 WeakPolarHBondContact O-CD1 3.36Å; L285-L289 WeakPolarHBondContact O-CG 3.12Å; L285-L289 PolarHBondContact O-N 3.21Å
286	Q	45.7	Very low	43.6	Very low	131 Å²	131	112.6 Å²	112.6	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-77.8	-33.6	179	-81.3	-169	-14.2	0	0	114.4	E282 S283 I284 E288 N290	E282-Q286 WeakPolarHBondContact O-CB 3.31Å; E282-Q286 WeakPolarHBondContact O-CG 3.29Å; E282-Q286 PolarHBondContact O-N 2.95Å; S283-Q286 PolarHBondContact O-N 3.39Å; I284-Q286 VanDerWaalsContact C-N 3.33Å; I284-Q286 PolarHBondContact O-N 3.15Å; Q286-E288 VanDerWaalsContact C-N 3.33Å; Q286-N290 PolarHBondContact O-N 2.7Å; Q286-N290 PolarHBondContact O-ND2 3Å
287	E	42.9	Very low	43.9	Very low	147 Å²	147	113.6 Å²	113.6	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-31.7	173.1	-84.9	-173.3	154.8	0	0	111.6	S283 I284	S283-E287 WeakPolarHBondContact O-CB 3.45Å; S283-E287 PolarHBondContact O-N 3.02Å; I284-E287 PolarHBondContact O-N 2.84Å
288	E	37.5	Very low	44.1	Very low	130 Å²	130	117.3 Å²	117.3	61%	0.607	58%	0.578	S	S	*	*	H	α-helix	trans	-84.4	-18.2	178.7	-68.9	-177.2	176.4	0	0	114	I284 Q286	I284-E288 WeakPolarHBondContact O-CB 3.19Å; I284-E288 WeakPolarHBondContact O-CG 3.23Å; I284-E288 PolarHBondContact O-N 3.21Å; I284-E288 VanDerWaalsContact O-N 3.09Å; Q286-E288 VanDerWaalsContact C-N 3.33Å
289	L	38.5	Very low	44.2	Very low	145 Å²	145	118.8 Å²	118.8	76%	0.759	58%	0.584	S	S	*	*			trans	-87	-11.1	175.4	-80.1	167	0	0	0	113.7	L285	L285-L289 VanDerWaalsContact O-CB 3.3Å; L285-L289 WeakPolarHBondContact O-CB 3.27Å; L285-L289 VanDerWaalsContact O-CD1 3.27Å; L285-L289 WeakPolarHBondContact O-CD1 3.36Å; L285-L289 WeakPolarHBondContact O-CG 3.12Å; L285-L289 PolarHBondContact O-N 3.21Å
290	N	40.1	Very low	43.6	Very low	193 Å²	193	120.1 Å²	120.1	100%	1.032	59%	0.593	S	S	*	*			trans	-108.6	0	175.4	-72.2	-54.6	0	0	0	111.7	Q286	Q286-N290 PolarHBondContact O-N 2.7Å; Q286-N290 PolarHBondContact O-ND2 3Å

Retrieved 290 of 290 residues in 59.3 ms (Link to these results)

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