A0A077YYZ6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	46.3	Very low	168 Å²	168	93.1 Å²	93.1	83%	0.828	44%	0.44	S	S	*	.				0	117.1	0	-171.3	177	164.5	0	0	103.8	L3 I74	M1-L3 PolarHBondContact O-N 3.34Å; M1-I74 HydrophobicContact CE-CD1 4.42Å
2	K	34.4	Very low	46.5	Very low	120 Å²	120	89.8 Å²	89.8	52%	0.522	43%	0.427	S	S	.	.			trans	-58.6	131.6	169.5	-77.4	-176.5	179.1	-179.4	0	106.3	D6 I7 E11	K2-D6 HydrophobicContact CB-CB 4.1Å; K2-D6 HydrophobicContact CG-CB 4.37Å; K2-I7 HydrophobicContact CB-CG1 4.2Å; K2-E11 IonicContact NZ-OE2 2.79Å
3	L	41.9	Very low	46.2	Very low	64 Å²	64	87.8 Å²	87.8	34%	0.335	43%	0.428	S	S	.	.			trans	-65.1	154.2	169.3	-64	165.2	0	0	0	106.9	M1 K5 D6	M1-L3 PolarHBondContact O-N 3.34Å; L3-K5 HydrophobicContact CB-CD 4.4Å; L3-K5 HydrophobicContact CB-CG 3.56Å; L3-K5 HydrophobicContact CD1-CD 4.33Å; L3-K5 HydrophobicContact CD1-CG 4.37Å; L3-K5 PolarHBondContact O-N 3.49Å; L3-D6 WeakPolarHBondContact CB-OD2 3.45Å; L3-D6 PolarHBondContact N-OD2 3.44Å; L3-D6 WeakPolarHBondContact O-CA 3.37Å; L3-D6 WeakPolarHBondContact O-CB 3.36Å; L3-D6 PolarHBondContact O-N 3.28Å
4	M	40.8	Very low	46.2	Very low	17 Å²	17	88.1 Å²	88.1	8%	0.084	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-54.4	-29.6	178.1	-68.4	-168.6	-38.3	0	0	111.7	D6 I7 F15 L66 Q70	M4-D6 VanDerWaalsContact C-N 3.27Å; M4-D6 PolarHBondContact O-N 3.08Å; M4-I7 PolarHBondContact O-N 3.42Å; M4-F15 HydrophobicContact CG-CE1 3.75Å; M4-F15 HydrophobicContact CG-CZ 4.01Å; M4-F15 HydrophobicContact SD-CE1 3.98Å; M4-L66 HydrophobicContact CE-CD2 4.13Å; M4-Q70 HydrophobicContact CE-CB 4.26Å
5	K	45.2	Very low	46.1	Very low	85 Å²	85	84.9 Å²	84.9	37%	0.37	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-66.1	-20.7	173.7	63.5	161.4	-168.1	162.5	0	115.3	L3 E63	L3-K5 HydrophobicContact CB-CD 4.4Å; L3-K5 HydrophobicContact CB-CG 3.56Å; L3-K5 HydrophobicContact CD1-CD 4.33Å; L3-K5 HydrophobicContact CD1-CG 4.37Å; L3-K5 PolarHBondContact O-N 3.49Å; K5-E63 HydrophobicContact CB-CG 4.46Å; K5-E63 HydrophobicContact CD-CG 3.66Å; K5-E63 WeakPolarHBondContact CD-OE1 3.48Å; K5-E63 WeakPolarHBondContact CE-OE1 3.42Å; K5-E63 IonicContact NZ-OE1 3.4Å; K5-E63 PolarHBondContact NZ-OE1 2.92Å
6	D	50.9	Low	45.9	Very low	79 Å²	79	85 Å²	85	42%	0.422	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-96.5	0.2	-179.1	-50.2	-39.1	0	0	0	111.8	K2 L3 M4 P8	K2-D6 HydrophobicContact CB-CB 4.1Å; K2-D6 HydrophobicContact CG-CB 4.37Å; L3-D6 WeakPolarHBondContact CB-OD2 3.45Å; L3-D6 PolarHBondContact N-OD2 3.44Å; L3-D6 WeakPolarHBondContact O-CA 3.37Å; L3-D6 WeakPolarHBondContact O-CB 3.36Å; L3-D6 PolarHBondContact O-N 3.28Å; M4-D6 VanDerWaalsContact C-N 3.27Å; M4-D6 PolarHBondContact O-N 3.08Å; D6-P8 WeakPolarHBondContact O-CD 3.33Å
7	I	49.4	Very low	46	Very low	19 Å²	19	85.9 Å²	85.9	10%	0.097	42%	0.423	C	S	.	.	S	Bend	trans	-87.4	119.1	175.4	-58	179.4	0	0	0	107.6	K2 M4 R9 E11 F15	K2-I7 HydrophobicContact CB-CG1 4.2Å; M4-I7 PolarHBondContact O-N 3.42Å; I7-R9 PolarHBondContact O-N 3.49Å; I7-E11 HydrophobicContact CG2-CB 3.72Å; I7-F15 HydrophobicContact CD1-CB 3.95Å; I7-F15 HydrophobicContact CD1-CD1 3.92Å; I7-F15 HydrophobicContact CD1-CD2 3.14Å; I7-F15 HydrophobicContact CD1-CE1 4.2Å; I7-F15 HydrophobicContact CD1-CE2 3.46Å; I7-F15 VanDerWaalsContact CD1-CE2 3.46Å; I7-F15 HydrophobicContact CD1-CG 3.38Å; I7-F15 HydrophobicContact CD1-CZ 3.99Å; I7-F15 HydrophobicContact CG2-CB 4.48Å
8	P	52.5	Low	45.9	Very low	51 Å²	51	87.3 Å²	87.3	33%	0.331	43%	0.432	S	S	.	.			trans	-49.6	138	172.4	-27.7	36.5	0	0	0	110.9	D6 N10 E11 L12	D6-P8 WeakPolarHBondContact O-CD 3.33Å; P8-N10 WeakPolarHBondContact CB-OD1 3.38Å; P8-N10 PolarHBondContact O-N 2.84Å; P8-E11 HydrophobicContact CB-CB 4.47Å; P8-E11 HydrophobicContact CB-CG 4.19Å; P8-E11 WeakPolarHBondContact CD-OE2 3.39Å; P8-E11 HydrophobicContact CG-CG 4.4Å; P8-E11 WeakPolarHBondContact O-CA 3.41Å; P8-E11 WeakPolarHBondContact O-CB 3.48Å; P8-E11 PolarHBondContact O-N 3.46Å; P8-L12 PolarHBondContact O-N 3.33Å
9	R	51.5	Low	46	Very low	220 Å²	220	85 Å²	85	83%	0.83	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.3	-173.7	-79.2	-177.5	174	-178	-3	114.2	I7 E11 L12	I7-R9 PolarHBondContact O-N 3.49Å; R9-E11 VanDerWaalsContact C-N 3.31Å; R9-L12 HydrophobicContact CB-CD1 4.42Å; R9-L12 HydrophobicContact CG-CD1 4.31Å
10	N	55.8	Low	46	Very low	125 Å²	125	83.1 Å²	83.1	67%	0.668	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-77.8	-12	176.1	61.9	-49.3	0	0	0	114	P8	P8-N10 WeakPolarHBondContact CB-OD1 3.38Å; P8-N10 PolarHBondContact O-N 2.84Å
11	E	54.4	Low	45.8	Very low	76 Å²	76	84.1 Å²	84.1	36%	0.355	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-102.6	0.6	176.7	-65	176	-160.3	0	0	111.6	K2 I7 P8 R9 S13 D14 F15	K2-E11 IonicContact NZ-OE2 2.79Å; I7-E11 HydrophobicContact CG2-CB 3.72Å; P8-E11 HydrophobicContact CB-CB 4.47Å; P8-E11 HydrophobicContact CB-CG 4.19Å; P8-E11 WeakPolarHBondContact CD-OE2 3.39Å; P8-E11 HydrophobicContact CG-CG 4.4Å; P8-E11 WeakPolarHBondContact O-CA 3.41Å; P8-E11 WeakPolarHBondContact O-CB 3.48Å; P8-E11 PolarHBondContact O-N 3.46Å; R9-E11 VanDerWaalsContact C-N 3.31Å; E11-S13 VanDerWaalsContact C-N 3.28Å; E11-S13 PolarHBondContact O-N 3.27Å; E11-D14 PolarHBondContact O-N 3.2Å; E11-F15 PolarHBondContact O-N 3.24Å
12	L	48.3	Very low	46.3	Very low	53 Å²	53	80.3 Å²	80.3	28%	0.277	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-30.2	178.3	-87	162.8	0	0	0	112.6	P8 R9 E16	P8-L12 PolarHBondContact O-N 3.33Å; R9-L12 HydrophobicContact CB-CD1 4.42Å; R9-L12 HydrophobicContact CG-CD1 4.31Å; L12-E16 PolarHBondContact O-N 3.28Å
13	S	43.2	Very low	47	Very low	64 Å²	64	74.7 Å²	74.7	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-44.8	173.8	49.7	0	0	0	0	111.4	E11 F15 E16 D17	E11-S13 VanDerWaalsContact C-N 3.28Å; E11-S13 PolarHBondContact O-N 3.27Å; S13-F15 PolarHBondContact O-N 3.44Å; S13-E16 WeakPolarHBondContact O-CB 3.5Å; S13-E16 PolarHBondContact O-N 2.97Å; S13-D17 PolarHBondContact O-N 3.31Å
14	D	45.5	Very low	47.3	Very low	93 Å²	93	76.5 Å²	76.5	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-67.1	-32.8	179.5	-56.4	-5.2	0	0	0	110.3	E11 D17 D18	E11-D14 PolarHBondContact O-N 3.2Å; D14-D17 PolarHBondContact O-N 3.01Å; D14-D18 WeakPolarHBondContact O-CB 3.44Å; D14-D18 PolarHBondContact O-N 2.9Å
15	F	44.6	Very low	47.4	Very low	39 Å²	39	81 Å²	81	17%	0.171	41%	0.407	C	S	.	.	H	α-helix	trans	-69.8	-34.3	171.5	-172.8	-102.4	0	0	0	113.2	M4 I7 E11 S13 Y19 F55	M4-F15 HydrophobicContact CG-CE1 3.75Å; M4-F15 HydrophobicContact CG-CZ 4.01Å; M4-F15 HydrophobicContact SD-CE1 3.98Å; I7-F15 HydrophobicContact CD1-CB 3.95Å; I7-F15 HydrophobicContact CD1-CD1 3.92Å; I7-F15 HydrophobicContact CD1-CD2 3.14Å; I7-F15 HydrophobicContact CD1-CE1 4.2Å; I7-F15 HydrophobicContact CD1-CE2 3.46Å; I7-F15 VanDerWaalsContact CD1-CE2 3.46Å; I7-F15 HydrophobicContact CD1-CG 3.38Å; I7-F15 HydrophobicContact CD1-CZ 3.99Å; I7-F15 HydrophobicContact CG2-CB 4.48Å; E11-F15 PolarHBondContact O-N 3.24Å; S13-F15 PolarHBondContact O-N 3.44Å; F15-Y19 HydrophobicContact CZ-CD2 4.45Å; F15-Y19 WeakPolarHBondContact O-CB 3.02Å; F15-Y19 PolarHBondContact O-N 3.27Å; F15-Y19 VanDerWaalsContact O-N 3.07Å; F15-F55 HydrophobicContact CD1-CE1 4.32Å; F15-F55 AromaticContact CD1-CZ 3.97Å; F15-F55 HydrophobicContact CD1-CZ 3.97Å; F15-F55 HydrophobicContact CE1-CZ 4.26Å
16	E	43.6	Very low	47.4	Very low	87 Å²	87	78.1 Å²	78.1	41%	0.407	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-39.6	173.2	-171.9	175.3	-179.3	0	0	111.2	L12 S13 T20 F55	L12-E16 PolarHBondContact O-N 3.28Å; S13-E16 WeakPolarHBondContact O-CB 3.5Å; S13-E16 PolarHBondContact O-N 2.97Å; E16-T20 VanDerWaalsContact O-CB 3.31Å; E16-T20 WeakPolarHBondContact O-CB 3.18Å; E16-T20 PolarHBondContact O-N 2.9Å; E16-T20 PolarHBondContact O-OG1 3.36Å; E16-F55 HydrophobicContact CB-CD1 4.48Å; E16-F55 HydrophobicContact CB-CE1 3.92Å; E16-F55 HydrophobicContact CB-CZ 4.07Å; E16-F55 HydrophobicContact CG-CD1 4.41Å; E16-F55 HydrophobicContact CG-CE1 4.22Å; E16-F55 HydrophobicContact CG-CE2 4.45Å; E16-F55 HydrophobicContact CG-CZ 4.25Å
17	D	46.4	Very low	47.2	Very low	101 Å²	101	79 Å²	79	54%	0.54	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-51.7	176	-71.7	-17.3	0	0	0	111.7	S13 D14 Y19 T20 D21	S13-D17 PolarHBondContact O-N 3.31Å; D14-D17 PolarHBondContact O-N 3.01Å; D17-Y19 PolarHBondContact O-N 3.47Å; D17-T20 PolarHBondContact O-N 3.48Å; D17-D21 PolarHBondContact O-N 2.98Å
18	D	45.3	Very low	47.1	Very low	111 Å²	111	83.8 Å²	83.8	59%	0.594	42%	0.415	S	S	*	.	H	α-helix	trans	-56.7	-37.4	176.8	-88.7	-11.1	0	0	0	112.2	D14 T22	D14-D18 WeakPolarHBondContact O-CB 3.44Å; D14-D18 PolarHBondContact O-N 2.9Å; D18-T22 WeakPolarHBondContact O-CB 3.47Å; D18-T22 PolarHBondContact O-N 2.96Å; D18-T22 VanDerWaalsContact O-N 3.08Å; D18-T22 PolarHBondContact O-OG1 3.36Å
19	Y	47.6	Very low	46.6	Very low	43 Å²	43	83.8 Å²	83.8	17%	0.169	42%	0.416	C	S	.	.	H	α-helix	trans	-75.9	-34.7	179.7	-165.9	-82.5	0	0	0	111.7	F15 D17 H23 W47 I51 F55	F15-Y19 HydrophobicContact CZ-CD2 4.45Å; F15-Y19 WeakPolarHBondContact O-CB 3.02Å; F15-Y19 PolarHBondContact O-N 3.27Å; F15-Y19 VanDerWaalsContact O-N 3.07Å; D17-Y19 PolarHBondContact O-N 3.47Å; Y19-H23 VanDerWaalsContact O-CB 3.29Å; Y19-H23 WeakPolarHBondContact O-CB 3.08Å; Y19-H23 PolarHBondContact O-N 3.44Å; Y19-W47 HydrophobicContact CE1-CZ2 4.4Å; Y19-W47 AromaticContact CZ-CZ2 3.93Å; Y19-W47 WeakPolarHBondContact OH-CZ2 3.45Å; Y19-I51 HydrophobicContact CD1-CD1 4.33Å; Y19-I51 HydrophobicContact CD1-CG1 4.47Å; Y19-I51 HydrophobicContact CD1-CG2 3.7Å; Y19-I51 HydrophobicContact CE1-CB 4.1Å; Y19-I51 HydrophobicContact CE1-CD1 3.39Å; Y19-I51 HydrophobicContact CE1-CG1 3.47Å; Y19-I51 VanDerWaalsContact CE1-CG1 3.47Å; Y19-I51 HydrophobicContact CE1-CG2 3.47Å; Y19-I51 VanDerWaalsContact CE1-CG2 3.47Å; Y19-F55 HydrophobicContact CD1-CE2 4.45Å
20	T	46.3	Very low	46.2	Very low	47 Å²	47	73.6 Å²	73.6	29%	0.288	38%	0.378	S	S	.	.	H	α-helix	trans	-66.5	-43.9	172.7	-61	0	0	0	0	111.1	E16 D17 T22 H23 E24	E16-T20 VanDerWaalsContact O-CB 3.31Å; E16-T20 WeakPolarHBondContact O-CB 3.18Å; E16-T20 PolarHBondContact O-N 2.9Å; E16-T20 PolarHBondContact O-OG1 3.36Å; D17-T20 PolarHBondContact O-N 3.48Å; T20-T22 PolarHBondContact O-N 2.77Å; T20-H23 CarbonylContact O-C 3.47Å; T20-H23 WeakPolarHBondContact O-CA 3.46Å; T20-H23 VanDerWaalsContact O-CB 3.3Å; T20-H23 WeakPolarHBondContact O-CB 3.37Å; T20-H23 PolarHBondContact O-N 2.99Å; T20-H23 VanDerWaalsContact O-N 3.12Å; T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3Å
21	D	42.4	Very low	45.4	Very low	105 Å²	105	71.3 Å²	71.3	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-64.3	-42.9	177.2	-78.6	-1.8	0	0	0	112	D17 H23 E24 F25	D17-D21 PolarHBondContact O-N 2.98Å; D21-H23 VanDerWaalsContact C-N 3.26Å; D21-H23 PolarHBondContact O-N 3.25Å; D21-E24 PolarHBondContact O-N 3.3Å; D21-F25 WeakPolarHBondContact O-CB 3.47Å; D21-F25 PolarHBondContact O-N 3.01Å
22	T	43.5	Very low	44.8	Very low	87 Å²	87	71.9 Å²	71.9	53%	0.534	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-37.4	173.7	-58.1	0	0	0	0	111.1	D18 T20 V26	D18-T22 WeakPolarHBondContact O-CB 3.47Å; D18-T22 PolarHBondContact O-N 2.96Å; D18-T22 VanDerWaalsContact O-N 3.08Å; D18-T22 PolarHBondContact O-OG1 3.36Å; T20-T22 PolarHBondContact O-N 2.77Å; T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 2.93Å; T22-V26 VanDerWaalsContact O-N 3.08Å
23	H	48	Very low	44.4	Very low	2 Å²	2	70.5 Å²	70.5	1%	0.009	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-45.7	176.2	177.4	-82.3	0	0	0	112.3	Y19 T20 D21 F25 V26 R27 T44 W47 H48	Y19-H23 VanDerWaalsContact O-CB 3.29Å; Y19-H23 WeakPolarHBondContact O-CB 3.08Å; Y19-H23 PolarHBondContact O-N 3.44Å; T20-H23 CarbonylContact O-C 3.47Å; T20-H23 WeakPolarHBondContact O-CA 3.46Å; T20-H23 VanDerWaalsContact O-CB 3.3Å; T20-H23 WeakPolarHBondContact O-CB 3.37Å; T20-H23 PolarHBondContact O-N 2.99Å; T20-H23 VanDerWaalsContact O-N 3.12Å; D21-H23 VanDerWaalsContact C-N 3.26Å; D21-H23 PolarHBondContact O-N 3.25Å; H23-F25 VanDerWaalsContact C-N 3.3Å; H23-F25 PolarHBondContact O-N 3.49Å; H23-V26 PolarHBondContact O-N 2.94Å; H23-R27 VanDerWaalsContact O-CB 3.3Å; H23-R27 WeakPolarHBondContact O-CB 3.39Å; H23-R27 PolarHBondContact O-N 3.04Å; H23-T44 PolarHBondContact NE2-O 2.64Å; H23-W47 HydrophobicContact CB-CZ3 4.32Å; H23-W47 AromaticContact CD2-CE3 3.25Å; H23-W47 AromaticContact CD2-CZ3 3.28Å; H23-W47 WeakPolarHBondContact CD2-CZ3 3.42Å; H23-W47 AromaticContact NE2-CE3 3.69Å; H23-H48 VanDerWaalsContact CE1-CB 3.42Å; H23-H48 WeakPolarHBondContact CE1-CB 3.38Å; H23-H48 AromaticContact CE1-CG 3.53Å; H23-H48 AromaticContact CE1-ND1 3.14Å; H23-H48 PolarHBondContact CE1-ND1 3.35Å; H23-H48 AromaticContact CG-ND1 3.92Å; H23-H48 AromaticContact ND1-ND1 3.32Å; H23-H48 PolarHBondContact ND1-ND1 2.84Å; H23-H48 VanDerWaalsContact NE2-CB 3.3Å; H23-H48 WeakPolarHBondContact NE2-CB 3.43Å; H23-H48 AromaticContact NE2-CG 3.82Å; H23-H48 AromaticContact NE2-ND1 3.62Å
24	E	47.4	Very low	44.3	Very low	103 Å²	103	74.7 Å²	74.7	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-39.4	177.3	-71.8	-161.2	158	0	0	111.5	T20 D21 R27 E28	T20-E24 WeakPolarHBondContact O-CG 3.28Å; T20-E24 PolarHBondContact O-N 3Å; D21-E24 PolarHBondContact O-N 3.3Å; E24-R27 WeakPolarHBondContact O-CB 3.48Å; E24-R27 PolarHBondContact O-N 2.95Å; E24-E28 WeakPolarHBondContact O-CB 3.28Å; E24-E28 PolarHBondContact O-N 2.84Å
25	F	44.3	Very low	44.3	Very low	112 Å²	112	75 Å²	75	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-47	173.8	178.9	-100.1	0	0	0	112.7	D21 H23 R27 E28 C29	D21-F25 WeakPolarHBondContact O-CB 3.47Å; D21-F25 PolarHBondContact O-N 3.01Å; H23-F25 VanDerWaalsContact C-N 3.3Å; H23-F25 PolarHBondContact O-N 3.49Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 2.98Å; F25-E28 PolarHBondContact O-N 3.2Å; F25-C29 VanDerWaalsContact CZ-SG 3.54Å; F25-C29 WeakPolarHBondContact O-CB 3.33Å; F25-C29 PolarHBondContact O-N 3.02Å; F25-C29 PolarHBondContact O-SG 3.17Å; F25-C29 VanDerWaalsContact O-SG 3.39Å
26	V	44.7	Very low	44.7	Very low	23 Å²	23	77.8 Å²	77.8	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-61	-42.6	175.4	170.8	0	0	0	0	110.1	T22 H23 C29 C30 I80	T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 2.93Å; T22-V26 VanDerWaalsContact O-N 3.08Å; H23-V26 PolarHBondContact O-N 2.94Å; V26-C29 PolarHBondContact O-N 3.47Å; V26-C30 WeakPolarHBondContact O-CB 3.31Å; V26-C30 PolarHBondContact O-N 3.32Å; V26-C30 PolarHBondContact O-SG 2.62Å; V26-I80 HydrophobicContact CG1-CG2 4.38Å
27	R	46.3	Very low	45.3	Very low	99 Å²	99	75 Å²	75	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.6	-177.7	-179.6	170.3	-164.3	-4.8	112	H23 E24 F25 C30 M31 T44	H23-R27 VanDerWaalsContact O-CB 3.3Å; H23-R27 WeakPolarHBondContact O-CB 3.39Å; H23-R27 PolarHBondContact O-N 3.04Å; E24-R27 WeakPolarHBondContact O-CB 3.48Å; E24-R27 PolarHBondContact O-N 2.95Å; F25-R27 VanDerWaalsContact C-N 3.3Å; F25-R27 PolarHBondContact O-N 2.98Å; R27-C30 PolarHBondContact O-N 2.93Å; R27-M31 HydrophobicContact CG-CG 4.43Å; R27-M31 WeakPolarHBondContact O-CB 3.28Å; R27-M31 WeakPolarHBondContact O-CG 3.45Å; R27-M31 PolarHBondContact O-N 3.35Å; R27-T44 HydrophobicContact CB-CG2 3.71Å; R27-T44 HydrophobicContact CG-CG2 3.92Å
28	E	47.3	Very low	46.2	Very low	118 Å²	118	77.5 Å²	77.5	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-65.8	-46.7	178	-165.1	178.1	178.7	0	0	111.1	E24 F25 C30 M31 V32	E24-E28 WeakPolarHBondContact O-CB 3.28Å; E24-E28 PolarHBondContact O-N 2.84Å; F25-E28 PolarHBondContact O-N 3.2Å; E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.9Å; E28-M31 PolarHBondContact O-N 2.87Å; E28-M31 VanDerWaalsContact O-N 3.16Å; E28-V32 HydrophobicContact CG-CG2 4.43Å; E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 3.43Å; E28-V32 VanDerWaalsContact O-N 3.1Å
29	C	42.3	Very low	47.1	Very low	52 Å²	52	74.1 Å²	74.1	35%	0.351	39%	0.394	S	S	.	.	H	α-helix	trans	-58.5	-39.8	175.6	-77.1	0	0	0	0	112.7	F25 V26	F25-C29 VanDerWaalsContact CZ-SG 3.54Å; F25-C29 WeakPolarHBondContact O-CB 3.33Å; F25-C29 PolarHBondContact O-N 3.02Å; F25-C29 PolarHBondContact O-SG 3.17Å; F25-C29 VanDerWaalsContact O-SG 3.39Å; V26-C29 PolarHBondContact O-N 3.47Å
30	C	42.7	Very low	47.8	Very low	6 Å²	6	72.3 Å²	72.3	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-69.3	-37.3	175.8	-77.5	0	0	0	0	113.5	V26 R27 E28 I40 A84	V26-C30 WeakPolarHBondContact O-CB 3.31Å; V26-C30 PolarHBondContact O-N 3.32Å; V26-C30 PolarHBondContact O-SG 2.62Å; R27-C30 PolarHBondContact O-N 2.93Å; E28-C30 VanDerWaalsContact C-N 3.29Å; E28-C30 PolarHBondContact O-N 2.9Å; C30-I40 HydrophobicContact CB-CG2 3.43Å; C30-I40 VanDerWaalsContact CB-CG2 3.43Å; C30-I40 WeakPolarHBondContact SG-CG2 3.47Å; C30-A84 VanDerWaalsContact SG-CB 3.53Å
31	M	40.2	Very low	48.5	Very low	77 Å²	77	74.6 Å²	74.6	38%	0.379	39%	0.394	S	S	.	.	H	α-helix	trans	-75.3	-27.4	-178.1	-74.2	-87.7	-66.4	0	0	112.8	R27 E28 S33 K41	R27-M31 HydrophobicContact CG-CG 4.43Å; R27-M31 WeakPolarHBondContact O-CB 3.28Å; R27-M31 WeakPolarHBondContact O-CG 3.45Å; R27-M31 PolarHBondContact O-N 3.35Å; E28-M31 PolarHBondContact O-N 2.87Å; E28-M31 VanDerWaalsContact O-N 3.16Å; M31-S33 VanDerWaalsContact C-N 3.32Å; M31-S33 PolarHBondContact O-N 3.17Å; M31-K41 HydrophobicContact SD-CB 4.24Å; M31-K41 HydrophobicContact SD-CD 3.65Å; M31-K41 HydrophobicContact SD-CG 3.83Å
32	V	40.5	Very low	49.9	Very low	87 Å²	87	74.1 Å²	74.1	53%	0.527	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4	-173.3	171.2	0	0	0	0	113.7	E28	E28-V32 HydrophobicContact CG-CG2 4.43Å; E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 3.43Å; E28-V32 VanDerWaalsContact O-N 3.1Å
33	S	39.7	Very low	51.1	Low	24 Å²	24	71.1 Å²	71.1	17%	0.168	37%	0.368	C	S	.	.	S	Bend	trans	-133.8	115.6	-175.9	-61.5	0	0	0	0	115.3	M31 T37 L88	M31-S33 VanDerWaalsContact C-N 3.32Å; M31-S33 PolarHBondContact O-N 3.17Å; S33-T37 WeakPolarHBondContact O-CG2 3.46Å; S33-L88 WeakPolarHBondContact OG-CD2 3.14Å
34	H	41.8	Very low	51.8	Low	153 Å²	153	71 Å²	71	71%	0.708	37%	0.368	S	S	*	.			trans	-90.6	133.8	-179.7	-67.9	-68	0	0	0	111.4	T37	H34-T37 PolarHBondContact CE1-OG1 3.5Å; H34-T37 VanDerWaalsContact CE1-OG1 3.3Å; H34-T37 VanDerWaalsContact ND1-CG2 3.25Å; H34-T37 WeakPolarHBondContact ND1-CG2 3.16Å; H34-T37 PolarHBondContact ND1-OG1 2.83Å
35	A	44.9	Very low	52.9	Low	98 Å²	98	69.2 Å²	69.2	81%	0.81	36%	0.361	S	S	*	.	S	Bend		-133.5	6.7	70.9	0	0	0	0	0	115.1
36	N	54	Low	54.3	Low	98 Å²	98	70.8 Å²	70.8	52%	0.524	36%	0.364	S	S	.	.	S	Bend	trans	-122.8	19.9	-177.6	-126.9	-6.6	0	0	0	113.2	K38 A39 I40	N36-K38 VanDerWaalsContact C-N 3.27Å; N36-K38 PolarHBondContact O-N 2.88Å; N36-K38 VanDerWaalsContact O-N 3.15Å; N36-A39 PolarHBondContact O-N 3.19Å; N36-I40 HydrophobicContact CB-CD1 4.31Å; N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.37Å; N36-I40 VanDerWaalsContact O-N 3.16Å
37	T	56.1	Low	55.5	Low	29 Å²	29	70.5 Å²	70.5	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-53.7	-35.1	-173.1	27.9	0	0	0	0	114.3	S33 H34 K41	S33-T37 WeakPolarHBondContact O-CG2 3.46Å; H34-T37 PolarHBondContact CE1-OG1 3.5Å; H34-T37 VanDerWaalsContact CE1-OG1 3.3Å; H34-T37 VanDerWaalsContact ND1-CG2 3.25Å; H34-T37 WeakPolarHBondContact ND1-CG2 3.16Å; H34-T37 PolarHBondContact ND1-OG1 2.83Å; T37-K41 WeakPolarHBondContact O-CB 3.48Å; T37-K41 PolarHBondContact O-N 3.02Å
38	K	64.9	Low	56.4	Low	154 Å²	154	67.5 Å²	67.5	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-48.3	-179.6	-171.6	179.1	175.8	-175.5	0	111.4	N36 K41 E42	N36-K38 VanDerWaalsContact C-N 3.27Å; N36-K38 PolarHBondContact O-N 2.88Å; N36-K38 VanDerWaalsContact O-N 3.15Å; K38-K41 PolarHBondContact O-N 3.26Å; K38-E42 WeakPolarHBondContact CE-OE1 3.44Å; K38-E42 WeakPolarHBondContact O-CB 3.36Å; K38-E42 WeakPolarHBondContact O-CG 3.42Å; K38-E42 PolarHBondContact O-N 3.48Å
39	A	64.8	Low	57.8	Low	39 Å²	39	66.5 Å²	66.5	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-43	178.9	0	0	0	0	0	111.5	N36 E42 M43	N36-A39 PolarHBondContact O-N 3.19Å; A39-E42 PolarHBondContact O-N 3.24Å; A39-M43 WeakPolarHBondContact O-CB 3.06Å; A39-M43 VanDerWaalsContact O-CG 3.27Å; A39-M43 WeakPolarHBondContact O-CG 3.5Å; A39-M43 PolarHBondContact O-N 3.13Å
40	I	60.6	Low	59.2	Low	6 Å²	6	66.9 Å²	66.9	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-67.4	-40.5	178.7	-59.9	172.2	0	0	0	110.7	C30 N36 M43 T44 I80 S87	C30-I40 HydrophobicContact CB-CG2 3.43Å; C30-I40 VanDerWaalsContact CB-CG2 3.43Å; C30-I40 WeakPolarHBondContact SG-CG2 3.47Å; N36-I40 HydrophobicContact CB-CD1 4.31Å; N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.37Å; N36-I40 VanDerWaalsContact O-N 3.16Å; I40-M43 PolarHBondContact O-N 3.33Å; I40-T44 WeakPolarHBondContact O-CB 3.23Å; I40-T44 PolarHBondContact O-N 2.9Å; I40-T44 PolarHBondContact O-OG1 3.45Å; I40-I80 HydrophobicContact CG2-CG2 4.45Å; I40-S87 VanDerWaalsContact CD1-OG 3.28Å; I40-S87 WeakPolarHBondContact CD1-OG 3.19Å
41	K	61.2	Low	60.1	Low	95 Å²	95	67 Å²	67	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-44.7	174.1	-175.6	-179.3	-173.3	178.5	0	111.8	M31 T37 K38 T44 N45	M31-K41 HydrophobicContact SD-CB 4.24Å; M31-K41 HydrophobicContact SD-CD 3.65Å; M31-K41 HydrophobicContact SD-CG 3.83Å; T37-K41 WeakPolarHBondContact O-CB 3.48Å; T37-K41 PolarHBondContact O-N 3.02Å; K38-K41 PolarHBondContact O-N 3.26Å; K41-T44 PolarHBondContact O-N 3.15Å; K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 VanDerWaalsContact O-CG 3.24Å; K41-N45 PolarHBondContact O-N 3.02Å
42	E	72.9	Confident	61.2	Low	94 Å²	94	68.3 Å²	68.3	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-40.5	175.7	-75	170.3	-172.6	0	0	112.2	K38 A39 R46	K38-E42 WeakPolarHBondContact CE-OE1 3.44Å; K38-E42 WeakPolarHBondContact O-CB 3.36Å; K38-E42 WeakPolarHBondContact O-CG 3.42Å; K38-E42 PolarHBondContact O-N 3.48Å; A39-E42 PolarHBondContact O-N 3.24Å; E42-R46 WeakPolarHBondContact O-CB 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 3.28Å; E42-R46 PolarHBondContact O-NE 2.88Å
43	M	68.4	Low	62.9	Low	25 Å²	25	69 Å²	69	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-43.1	174.1	-69.9	-179.7	71.1	0	0	112	A39 I40 N45 R46 W47 R79 I80 L83	A39-M43 WeakPolarHBondContact O-CB 3.06Å; A39-M43 VanDerWaalsContact O-CG 3.27Å; A39-M43 WeakPolarHBondContact O-CG 3.5Å; A39-M43 PolarHBondContact O-N 3.13Å; I40-M43 PolarHBondContact O-N 3.33Å; M43-N45 VanDerWaalsContact C-N 3.34Å; M43-N45 PolarHBondContact O-N 3.28Å; M43-R46 PolarHBondContact O-N 3.4Å; M43-W47 WeakPolarHBondContact O-CB 3.44Å; M43-W47 PolarHBondContact O-N 3.43Å; M43-R79 HydrophobicContact CE-CG 4.12Å; M43-I80 HydrophobicContact CB-CD1 4.1Å; M43-I80 HydrophobicContact CB-CG1 3.81Å; M43-I80 HydrophobicContact CE-CG1 3.87Å; M43-I80 WeakPolarHBondContact O-CD1 3.24Å; M43-L83 HydrophobicContact CE-CD1 3.58Å; M43-L83 HydrophobicContact SD-CD1 3.47Å; M43-L83 WeakPolarHBondContact SD-CD1 3.5Å
44	T	62	Low	64	Low	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-40.1	178.7	-53.4	0	0	0	0	111.6	H23 R27 I40 K41 H48	H23-T44 PolarHBondContact NE2-O 2.64Å; R27-T44 HydrophobicContact CB-CG2 3.71Å; R27-T44 HydrophobicContact CG-CG2 3.92Å; I40-T44 WeakPolarHBondContact O-CB 3.23Å; I40-T44 PolarHBondContact O-N 2.9Å; I40-T44 PolarHBondContact O-OG1 3.45Å; K41-T44 PolarHBondContact O-N 3.15Å; T44-H48 WeakPolarHBondContact O-CB 3.22Å; T44-H48 PolarHBondContact O-N 3.37Å
45	N	70.7	Confident	64.9	Low	65 Å²	65	62.1 Å²	62.1	35%	0.348	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-40.4	174.1	-73.6	-10.9	0	0	0	112.1	K41 M43 H48 N49	K41-N45 WeakPolarHBondContact O-CB 3.36Å; K41-N45 VanDerWaalsContact O-CG 3.24Å; K41-N45 PolarHBondContact O-N 3.02Å; M43-N45 VanDerWaalsContact C-N 3.34Å; M43-N45 PolarHBondContact O-N 3.28Å; N45-H48 WeakPolarHBondContact O-CB 3.27Å; N45-H48 PolarHBondContact O-N 3.04Å; N45-N49 PolarHBondContact O-N 3.18Å; N45-N49 PolarHBondContact O-ND2 3.48Å
46	R	74.1	Confident	66.1	Low	144 Å²	144	63.8 Å²	63.8	54%	0.543	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-46.9	175.1	-79.8	-175.1	-69.5	172.5	-5.2	111.7	E42 M43 H48 N49 H50	E42-R46 WeakPolarHBondContact O-CB 3.29Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 3.28Å; E42-R46 PolarHBondContact O-NE 2.88Å; M43-R46 PolarHBondContact O-N 3.4Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.49Å; R46-N49 PolarHBondContact O-N 3.04Å; R46-H50 PolarHBondContact O-N 2.88Å
47	W	69.9	Low	66.9	Low	17 Å²	17	63.3 Å²	63.3	6%	0.064	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-43.3	176.3	-174.9	55.5	0	0	0	111.2	Y19 H23 M43 N49 H50 I51 L73 E76 I80	Y19-W47 HydrophobicContact CE1-CZ2 4.4Å; Y19-W47 AromaticContact CZ-CZ2 3.93Å; Y19-W47 WeakPolarHBondContact OH-CZ2 3.45Å; H23-W47 HydrophobicContact CB-CZ3 4.32Å; H23-W47 AromaticContact CD2-CE3 3.25Å; H23-W47 AromaticContact CD2-CZ3 3.28Å; H23-W47 WeakPolarHBondContact CD2-CZ3 3.42Å; H23-W47 AromaticContact NE2-CE3 3.69Å; M43-W47 WeakPolarHBondContact O-CB 3.44Å; M43-W47 PolarHBondContact O-N 3.43Å; W47-N49 VanDerWaalsContact C-N 3.32Å; W47-N49 PolarHBondContact O-N 3.42Å; W47-H50 WeakPolarHBondContact O-CB 3.46Å; W47-H50 PolarHBondContact O-N 3.18Å; W47-H50 VanDerWaalsContact O-N 3.08Å; W47-I51 HydrophobicContact CD2-CD1 3.64Å; W47-I51 HydrophobicContact CE3-CD1 3.98Å; W47-I51 HydrophobicContact CG-CD1 4.03Å; W47-I51 HydrophobicContact CH2-CD1 4.32Å; W47-I51 HydrophobicContact CZ2-CD1 4.07Å; W47-I51 HydrophobicContact CZ3-CD1 4.3Å; W47-I51 VanDerWaalsContact O-CD1 3.26Å; W47-I51 WeakPolarHBondContact O-CD1 3.43Å; W47-I51 WeakPolarHBondContact O-CG1 3.37Å; W47-I51 PolarHBondContact O-N 3.1Å; W47-L73 PolarHBondContact NE1-O 2.96Å; W47-E76 HydrophobicContact CB-CG 4.29Å; W47-E76 HydrophobicContact CG-CG 4.25Å; W47-I80 HydrophobicContact CB-CD1 3.41Å; W47-I80 VanDerWaalsContact CB-CD1 3.41Å; W47-I80 HydrophobicContact CD2-CD1 4.08Å; W47-I80 HydrophobicContact CE3-CD1 4.22Å; W47-I80 HydrophobicContact CG-CD1 3.77Å
48	H	66	Low	67.3	Low	36 Å²	36	62.8 Å²	62.8	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-54.3	-46.4	173.7	-169.5	69.9	0	0	0	112.8	H23 T44 N45 R46 H50 I51 K52	H23-H48 VanDerWaalsContact CE1-CB 3.42Å; H23-H48 WeakPolarHBondContact CE1-CB 3.38Å; H23-H48 AromaticContact CE1-CG 3.53Å; H23-H48 AromaticContact CE1-ND1 3.14Å; H23-H48 PolarHBondContact CE1-ND1 3.35Å; H23-H48 AromaticContact CG-ND1 3.92Å; H23-H48 AromaticContact ND1-ND1 3.32Å; H23-H48 PolarHBondContact ND1-ND1 2.84Å; H23-H48 VanDerWaalsContact NE2-CB 3.3Å; H23-H48 WeakPolarHBondContact NE2-CB 3.43Å; H23-H48 AromaticContact NE2-CG 3.82Å; H23-H48 AromaticContact NE2-ND1 3.62Å; T44-H48 WeakPolarHBondContact O-CB 3.22Å; T44-H48 PolarHBondContact O-N 3.37Å; N45-H48 WeakPolarHBondContact O-CB 3.27Å; N45-H48 PolarHBondContact O-N 3.04Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.49Å; H48-H50 VanDerWaalsContact C-N 3.35Å; H48-I51 WeakPolarHBondContact O-CB 3.41Å; H48-I51 PolarHBondContact O-N 3.31Å; H48-K52 WeakPolarHBondContact NE2-CE 3.22Å; H48-K52 PolarHBondContact NE2-NZ 3.4Å; H48-K52 PolarHBondContact O-N 3.4Å; H48-K52 VanDerWaalsContact O-N 3.16Å
49	N	75	Confident	67.2	Low	97 Å²	97	60.1 Å²	60.1	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-38.8	177.8	-68.6	-18	0	0	0	111.2	N45 R46 W47 I51 K52 E53	N45-N49 PolarHBondContact O-N 3.18Å; N45-N49 PolarHBondContact O-ND2 3.48Å; R46-N49 PolarHBondContact O-N 3.04Å; W47-N49 VanDerWaalsContact C-N 3.32Å; W47-N49 PolarHBondContact O-N 3.42Å; N49-I51 PolarHBondContact O-N 2.98Å; N49-K52 PolarHBondContact O-N 3.13Å; N49-E53 WeakPolarHBondContact O-CG 3.32Å; N49-E53 PolarHBondContact O-N 2.92Å
50	H	73	Confident	67.9	Low	61 Å²	61	67.6 Å²	67.6	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-45.2	175.7	-170.9	-175.2	0	0	0	111.3	R46 W47 H48 K52 E53 T54 L73 E76	R46-H50 PolarHBondContact O-N 2.88Å; W47-H50 WeakPolarHBondContact O-CB 3.46Å; W47-H50 PolarHBondContact O-N 3.18Å; W47-H50 VanDerWaalsContact O-N 3.08Å; H48-H50 VanDerWaalsContact C-N 3.35Å; H50-K52 PolarHBondContact O-N 3.09Å; H50-E53 PolarHBondContact O-N 3.41Å; H50-T54 PolarHBondContact CD2-OG1 2.68Å; H50-T54 WeakPolarHBondContact O-CB 3.13Å; H50-T54 PolarHBondContact O-N 3.04Å; H50-T54 PolarHBondContact O-OG1 3.37Å; H50-L73 HydrophobicContact CB-CD2 4.22Å; H50-E76 IonicContact CE1-OE2 3.74Å; H50-E76 IonicContact CG-OE2 2.73Å; H50-E76 IonicContact ND1-OE2 2.71Å; H50-E76 PolarHBondContact ND1-OE2 3.35Å
51	I	61.7	Low	68.2	Low	8 Å²	8	68.3 Å²	68.3	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-55	-52.7	175.3	-64.4	155.2	0	0	0	110.4	Y19 W47 H48 N49 E53 T54 F55 L73	Y19-I51 HydrophobicContact CD1-CD1 4.33Å; Y19-I51 HydrophobicContact CD1-CG1 4.47Å; Y19-I51 HydrophobicContact CD1-CG2 3.7Å; Y19-I51 HydrophobicContact CE1-CB 4.1Å; Y19-I51 HydrophobicContact CE1-CD1 3.39Å; Y19-I51 HydrophobicContact CE1-CG1 3.47Å; Y19-I51 VanDerWaalsContact CE1-CG1 3.47Å; Y19-I51 HydrophobicContact CE1-CG2 3.47Å; Y19-I51 VanDerWaalsContact CE1-CG2 3.47Å; W47-I51 HydrophobicContact CD2-CD1 3.64Å; W47-I51 HydrophobicContact CE3-CD1 3.98Å; W47-I51 HydrophobicContact CG-CD1 4.03Å; W47-I51 HydrophobicContact CH2-CD1 4.32Å; W47-I51 HydrophobicContact CZ2-CD1 4.07Å; W47-I51 HydrophobicContact CZ3-CD1 4.3Å; W47-I51 VanDerWaalsContact O-CD1 3.26Å; W47-I51 WeakPolarHBondContact O-CD1 3.43Å; W47-I51 WeakPolarHBondContact O-CG1 3.37Å; W47-I51 PolarHBondContact O-N 3.1Å; H48-I51 WeakPolarHBondContact O-CB 3.41Å; H48-I51 PolarHBondContact O-N 3.31Å; N49-I51 PolarHBondContact O-N 2.98Å; I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 3.01Å; I51-T54 WeakPolarHBondContact O-CB 3.46Å; I51-T54 PolarHBondContact O-N 3.36Å; I51-F55 HydrophobicContact CG2-CD2 3.76Å; I51-F55 HydrophobicContact CG2-CE2 3.75Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 2.9Å; I51-L73 HydrophobicContact CB-CD2 4.47Å; I51-L73 HydrophobicContact CG1-CD1 4.47Å; I51-L73 HydrophobicContact CG1-CD2 3.73Å
52	K	63.2	Low	69	Low	105 Å²	105	66 Å²	66	46%	0.457	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-41.8	178.9	-73.9	-177.9	170.3	171.8	0	112.8	H48 N49 H50 K56	H48-K52 WeakPolarHBondContact NE2-CE 3.22Å; H48-K52 PolarHBondContact NE2-NZ 3.4Å; H48-K52 PolarHBondContact O-N 3.4Å; H48-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 PolarHBondContact O-N 3.13Å; H50-K52 PolarHBondContact O-N 3.09Å; K52-K56 WeakPolarHBondContact O-CG 3.47Å; K52-K56 PolarHBondContact O-N 3.47Å
53	E	75.2	Confident	68.8	Low	102 Å²	102	65.4 Å²	65.4	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-69.6	-38.3	177.2	-67.1	-50.3	129.2	0	0	112.1	N49 H50 I51 K56 L57	N49-E53 WeakPolarHBondContact O-CG 3.32Å; N49-E53 PolarHBondContact O-N 2.92Å; H50-E53 PolarHBondContact O-N 3.41Å; I51-E53 VanDerWaalsContact C-N 3.33Å; I51-E53 PolarHBondContact O-N 3.01Å; E53-K56 PolarHBondContact O-N 3.06Å; E53-K56 IonicContact OE1-NZ 3.21Å; E53-K56 PolarHBondContact OE1-NZ 3.21Å; E53-K56 IonicContact OE2-NZ 2.94Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å; E53-L57 WeakPolarHBondContact O-CG 3.28Å; E53-L57 PolarHBondContact O-N 2.78Å
54	T	63.5	Low	69.1	Low	4 Å²	4	70.3 Å²	70.3	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-46.6	174.2	-64.5	0	0	0	0	111.7	H50 I51 K56 L57 C58 Y69 L73	H50-T54 PolarHBondContact CD2-OG1 2.68Å; H50-T54 WeakPolarHBondContact O-CB 3.13Å; H50-T54 PolarHBondContact O-N 3.04Å; H50-T54 PolarHBondContact O-OG1 3.37Å; I51-T54 WeakPolarHBondContact O-CB 3.46Å; I51-T54 PolarHBondContact O-N 3.36Å; T54-K56 VanDerWaalsContact C-N 3.26Å; T54-K56 PolarHBondContact O-N 3.1Å; T54-L57 WeakPolarHBondContact O-CB 3.27Å; T54-L57 PolarHBondContact O-N 2.76Å; T54-C58 PolarHBondContact O-N 2.94Å; T54-C58 PolarHBondContact O-SG 3.19Å; T54-Y69 HydrophobicContact CG2-CD2 3.96Å; T54-Y69 HydrophobicContact CG2-CG 3.95Å; T54-L73 HydrophobicContact CG2-CD1 3.81Å
55	F	59.9	Low	69.6	Low	27 Å²	27	74.2 Å²	74.2	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-33.3	179.3	-90.4	-81.3	0	0	0	112.9	F15 E16 Y19 I51 L57 C58 P59	F15-F55 HydrophobicContact CD1-CE1 4.32Å; F15-F55 AromaticContact CD1-CZ 3.97Å; F15-F55 HydrophobicContact CD1-CZ 3.97Å; F15-F55 HydrophobicContact CE1-CZ 4.26Å; E16-F55 HydrophobicContact CB-CD1 4.48Å; E16-F55 HydrophobicContact CB-CE1 3.92Å; E16-F55 HydrophobicContact CB-CZ 4.07Å; E16-F55 HydrophobicContact CG-CD1 4.41Å; E16-F55 HydrophobicContact CG-CE1 4.22Å; E16-F55 HydrophobicContact CG-CE2 4.45Å; E16-F55 HydrophobicContact CG-CZ 4.25Å; Y19-F55 HydrophobicContact CD1-CE2 4.45Å; I51-F55 HydrophobicContact CG2-CD2 3.76Å; I51-F55 HydrophobicContact CG2-CE2 3.75Å; I51-F55 WeakPolarHBondContact O-CD2 3.47Å; I51-F55 PolarHBondContact O-N 2.9Å; F55-L57 VanDerWaalsContact C-N 3.27Å; F55-L57 PolarHBondContact O-N 2.7Å; F55-C58 PolarHBondContact O-N 3.37Å; F55-P59 WeakPolarHBondContact O-CD 3.36Å
56	K	71.8	Confident	68.8	Low	133 Å²	133	72.5 Å²	72.5	58%	0.578	35%	0.351	S	S	*	.	H	α-helix	trans	-65.3	-28.7	173.3	-67.6	171.3	-173.5	171.3	0	113.3	K52 E53 T54	K52-K56 WeakPolarHBondContact O-CG 3.47Å; K52-K56 PolarHBondContact O-N 3.47Å; E53-K56 PolarHBondContact O-N 3.06Å; E53-K56 IonicContact OE1-NZ 3.21Å; E53-K56 PolarHBondContact OE1-NZ 3.21Å; E53-K56 IonicContact OE2-NZ 2.94Å; E53-K56 PolarHBondContact OE2-NZ 3.42Å; T54-K56 VanDerWaalsContact C-N 3.26Å; T54-K56 PolarHBondContact O-N 3.1Å
57	L	69.3	Low	68.3	Low	88 Å²	88	69.3 Å²	69.3	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-87.8	-28.1	-179.3	-61.2	175	0	0	0	112.5	E53 T54 F55 P59 K60 A61 Y69	E53-L57 WeakPolarHBondContact O-CG 3.28Å; E53-L57 PolarHBondContact O-N 2.78Å; T54-L57 WeakPolarHBondContact O-CB 3.27Å; T54-L57 PolarHBondContact O-N 2.76Å; F55-L57 VanDerWaalsContact C-N 3.27Å; F55-L57 PolarHBondContact O-N 2.7Å; L57-P59 VanDerWaalsContact C-N 3.33Å; L57-P59 VanDerWaalsContact O-N 3.16Å; L57-K60 PolarHBondContact O-N 3.12Å; L57-A61 PolarHBondContact O-N 2.88Å; L57-Y69 HydrophobicContact CB-CE2 3.83Å; L57-Y69 HydrophobicContact CD1-CE2 4.46Å
58	C	65.6	Low	68.4	Low	19 Å²	19	74.6 Å²	74.6	13%	0.128	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-47.5	-42.2	-178.2	-73	0	0	0	0	115	T54 F55 K60 A61 L66	T54-C58 PolarHBondContact O-N 2.94Å; T54-C58 PolarHBondContact O-SG 3.19Å; F55-C58 PolarHBondContact O-N 3.37Å; C58-K60 PolarHBondContact O-N 2.83Å; C58-K60 VanDerWaalsContact O-N 3.15Å; C58-A61 PolarHBondContact O-N 3.16Å; C58-L66 HydrophobicContact CB-CD2 4.02Å
59	P	61.7	Low	68.6	Low	98 Å²	98	74.8 Å²	74.8	64%	0.636	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.2	-179.3	-24.5	34.8	0	0	0	114.7	F55 L57	F55-P59 WeakPolarHBondContact O-CD 3.36Å; L57-P59 VanDerWaalsContact C-N 3.33Å; L57-P59 VanDerWaalsContact O-N 3.16Å
60	K	80	Confident	67.5	Low	196 Å²	196	70.9 Å²	70.9	85%	0.852	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-114.3	-3	-174.6	-61	-179.8	-177	176.3	0	113.4	L57 C58	L57-K60 PolarHBondContact O-N 3.12Å; C58-K60 PolarHBondContact O-N 2.83Å; C58-K60 VanDerWaalsContact O-N 3.15Å
61	A	67.5	Low	67.1	Low	20 Å²	20	72.6 Å²	72.6	17%	0.165	35%	0.354	C	S	.	.			trans	-81.7	141.5	-174.6	0	0	0	0	0	112	L57 C58 E65 L66 Y69	L57-A61 PolarHBondContact O-N 2.88Å; C58-A61 PolarHBondContact O-N 3.16Å; A61-E65 HydrophobicContact CB-CB 3.87Å; A61-L66 HydrophobicContact CB-CD2 3.78Å; A61-L66 HydrophobicContact CB-CG 3.85Å; A61-Y69 HydrophobicContact CB-CD2 4.43Å; A61-Y69 HydrophobicContact CB-CE2 3.74Å
62	S	78.1	Confident	67.4	Low	48 Å²	48	75.4 Å²	75.4	34%	0.336	37%	0.369	S	S	.	.			trans	-64.3	164.8	165.1	58.2	0	0	0	0	111.6	E64 E65 L66	S62-E64 VanDerWaalsContact C-N 3.25Å; S62-E64 PolarHBondContact O-N 2.96Å; S62-E65 WeakPolarHBondContact CB-OE2 3.37Å; S62-E65 PolarHBondContact N-OE2 3.38Å; S62-E65 PolarHBondContact O-N 2.92Å; S62-E65 WeakPolarHBondContact OG-CB 3.18Å; S62-E65 VanDerWaalsContact OG-CD 3.29Å; S62-E65 WeakPolarHBondContact OG-CG 3.34Å; S62-E65 PolarHBondContact OG-N 3.45Å; S62-E65 PolarHBondContact OG-OE2 3.45Å; S62-L66 WeakPolarHBondContact O-CG 3.34Å; S62-L66 PolarHBondContact O-N 3.31Å
63	E	67.6	Low	67.2	Low	81 Å²	81	70.7 Å²	70.7	38%	0.379	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-38.1	176.2	-168	-172.5	147.9	0	0	111.6	K5 L66 K67	K5-E63 HydrophobicContact CB-CG 4.46Å; K5-E63 HydrophobicContact CD-CG 3.66Å; K5-E63 WeakPolarHBondContact CD-OE1 3.48Å; K5-E63 WeakPolarHBondContact CE-OE1 3.42Å; K5-E63 IonicContact NZ-OE1 3.4Å; K5-E63 PolarHBondContact NZ-OE1 2.92Å; E63-L66 PolarHBondContact O-N 2.81Å; E63-K67 WeakPolarHBondContact O-CB 3.38Å; E63-K67 WeakPolarHBondContact O-CG 3.5Å; E63-K67 PolarHBondContact O-N 3.47Å; E63-K67 WeakPolarHBondContact OE1-CE 3.45Å; E63-K67 IonicContact OE1-NZ 2.88Å; E63-K67 PolarHBondContact OE1-NZ 3.4Å
64	E	75	Confident	66.2	Low	128 Å²	128	68.7 Å²	68.7	60%	0.598	34%	0.34	S	S	*	.	H	α-helix	trans	-62.1	-43.2	174.6	-69.9	71.3	-155	0	0	111.8	S62 K67 K68	S62-E64 VanDerWaalsContact C-N 3.25Å; S62-E64 PolarHBondContact O-N 2.96Å; E64-K67 PolarHBondContact O-N 2.87Å; E64-K68 WeakPolarHBondContact O-CB 3.35Å; E64-K68 PolarHBondContact O-N 2.97Å
65	E	72.1	Confident	66	Low	82 Å²	82	73 Å²	73	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-42.1	176.4	-74.9	167.5	134.2	0	0	111.8	A61 S62 K67 K68 Y69	A61-E65 HydrophobicContact CB-CB 3.87Å; S62-E65 WeakPolarHBondContact CB-OE2 3.37Å; S62-E65 PolarHBondContact N-OE2 3.38Å; S62-E65 PolarHBondContact O-N 2.92Å; S62-E65 WeakPolarHBondContact OG-CB 3.18Å; S62-E65 VanDerWaalsContact OG-CD 3.29Å; S62-E65 WeakPolarHBondContact OG-CG 3.34Å; S62-E65 PolarHBondContact OG-N 3.45Å; S62-E65 PolarHBondContact OG-OE2 3.45Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.21Å; E65-K68 WeakPolarHBondContact O-CB 3.46Å; E65-K68 PolarHBondContact O-N 3.42Å; E65-K68 VanDerWaalsContact O-N 3.16Å; E65-Y69 HydrophobicContact CB-CE2 4.21Å; E65-Y69 WeakPolarHBondContact O-CB 3.25Å; E65-Y69 WeakPolarHBondContact O-CD1 3.25Å; E65-Y69 WeakPolarHBondContact O-CD2 3.22Å; E65-Y69 PolarHBondContact O-N 3.18Å
66	L	55.2	Low	66	Low	29 Å²	29	74 Å²	74	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-42.4	175.5	-69.9	173.6	0	0	0	111.8	M4 C58 A61 S62 E63 K68 Y69 Q70	M4-L66 HydrophobicContact CE-CD2 4.13Å; C58-L66 HydrophobicContact CB-CD2 4.02Å; A61-L66 HydrophobicContact CB-CD2 3.78Å; A61-L66 HydrophobicContact CB-CG 3.85Å; S62-L66 WeakPolarHBondContact O-CG 3.34Å; S62-L66 PolarHBondContact O-N 3.31Å; E63-L66 PolarHBondContact O-N 2.81Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-Q70 VanDerWaalsContact O-CB 3.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.32Å; L66-Q70 PolarHBondContact O-N 3.22Å
67	K	62.1	Low	65.3	Low	77 Å²	77	68.3 Å²	68.3	34%	0.335	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-43.3	173.4	-76.9	172.6	-173.5	158.4	0	111.2	E63 E64 E65 Q70 N71	E63-K67 WeakPolarHBondContact O-CB 3.38Å; E63-K67 WeakPolarHBondContact O-CG 3.5Å; E63-K67 PolarHBondContact O-N 3.47Å; E63-K67 WeakPolarHBondContact OE1-CE 3.45Å; E63-K67 IonicContact OE1-NZ 2.88Å; E63-K67 PolarHBondContact OE1-NZ 3.4Å; E64-K67 PolarHBondContact O-N 2.87Å; E65-K67 VanDerWaalsContact C-N 3.34Å; E65-K67 PolarHBondContact O-N 3.21Å; K67-Q70 PolarHBondContact O-N 2.85Å; K67-N71 WeakPolarHBondContact O-CB 3.18Å; K67-N71 PolarHBondContact O-N 3.31Å; K67-N71 PolarHBondContact O-ND2 3.13Å
68	K	73.8	Confident	64.4	Low	127 Å²	127	67.1 Å²	67.1	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-50	177.3	-176	-178.7	174.7	-174.7	0	111.1	E64 E65 L66 Q70 N71 D72	E64-K68 WeakPolarHBondContact O-CB 3.35Å; E64-K68 PolarHBondContact O-N 2.97Å; E65-K68 WeakPolarHBondContact O-CB 3.46Å; E65-K68 PolarHBondContact O-N 3.42Å; E65-K68 VanDerWaalsContact O-N 3.16Å; L66-K68 VanDerWaalsContact C-N 3.34Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 2.81Å; K68-N71 PolarHBondContact O-N 3.47Å; K68-N71 VanDerWaalsContact O-N 3.16Å; K68-D72 VanDerWaalsContact O-CG 3.24Å; K68-D72 PolarHBondContact O-N 2.75Å
69	Y	68.6	Low	64	Low	40 Å²	40	74.1 Å²	74.1	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-44	178.1	-60.7	-21	0	0	0	112.3	T54 L57 A61 E65 L66 N71 D72 L73	T54-Y69 HydrophobicContact CG2-CD2 3.96Å; T54-Y69 HydrophobicContact CG2-CG 3.95Å; L57-Y69 HydrophobicContact CB-CE2 3.83Å; L57-Y69 HydrophobicContact CD1-CE2 4.46Å; A61-Y69 HydrophobicContact CB-CD2 4.43Å; A61-Y69 HydrophobicContact CB-CE2 3.74Å; E65-Y69 HydrophobicContact CB-CE2 4.21Å; E65-Y69 WeakPolarHBondContact O-CB 3.25Å; E65-Y69 WeakPolarHBondContact O-CD1 3.25Å; E65-Y69 WeakPolarHBondContact O-CD2 3.22Å; E65-Y69 PolarHBondContact O-N 3.18Å; L66-Y69 PolarHBondContact O-N 3.43Å; Y69-N71 VanDerWaalsContact C-N 3.34Å; Y69-N71 PolarHBondContact O-N 2.87Å; Y69-D72 PolarHBondContact O-N 2.96Å; Y69-L73 WeakPolarHBondContact O-CB 3.34Å; Y69-L73 WeakPolarHBondContact O-CG 3.28Å; Y69-L73 PolarHBondContact O-N 3.49Å
70	Q	53.3	Low	63.6	Low	15 Å²	15	69.5 Å²	69.5	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-45.6	175.7	-178.4	173.3	5.2	0	0	111.3	M4 L66 K67 K68 I74	M4-Q70 HydrophobicContact CE-CB 4.26Å; L66-Q70 VanDerWaalsContact O-CB 3.29Å; L66-Q70 WeakPolarHBondContact O-CB 3.32Å; L66-Q70 PolarHBondContact O-N 3.22Å; K67-Q70 PolarHBondContact O-N 2.85Å; K68-Q70 VanDerWaalsContact C-N 3.34Å; K68-Q70 PolarHBondContact O-N 2.81Å; Q70-I74 HydrophobicContact CG-CD1 3.71Å; Q70-I74 HydrophobicContact CG-CG1 4.47Å; Q70-I74 WeakPolarHBondContact O-CB 3.42Å; Q70-I74 WeakPolarHBondContact O-CG1 3.08Å; Q70-I74 PolarHBondContact O-N 3.45Å
71	N	63.4	Low	62.3	Low	98 Å²	98	62.5 Å²	62.5	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-40.7	177.9	-74.1	-19.6	0	0	0	112.1	K67 K68 Y69 T75	K67-N71 WeakPolarHBondContact O-CB 3.18Å; K67-N71 PolarHBondContact O-N 3.31Å; K67-N71 PolarHBondContact O-ND2 3.13Å; K68-N71 PolarHBondContact O-N 3.47Å; K68-N71 VanDerWaalsContact O-N 3.16Å; Y69-N71 VanDerWaalsContact C-N 3.34Å; Y69-N71 PolarHBondContact O-N 2.87Å; N71-T75 VanDerWaalsContact O-CB 3.24Å; N71-T75 WeakPolarHBondContact O-CB 3.32Å; N71-T75 PolarHBondContact O-N 2.67Å; N71-T75 PolarHBondContact O-OG1 3.27Å
72	D	68.6	Low	61.5	Low	67 Å²	67	65.9 Å²	65.9	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-48	178.8	-69.1	-19.4	0	0	0	110.7	K68 Y69 I74 T75 E76	K68-D72 VanDerWaalsContact O-CG 3.24Å; K68-D72 PolarHBondContact O-N 2.75Å; Y69-D72 PolarHBondContact O-N 2.96Å; D72-I74 PolarHBondContact O-N 3.17Å; D72-T75 PolarHBondContact O-N 2.59Å; D72-E76 PolarHBondContact O-N 3.32Å
73	L	59.9	Low	60.3	Low	5 Å²	5	66.4 Å²	66.4	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-42.9	177	-71.5	-178.4	0	0	0	112.5	W47 H50 I51 T54 Y69 G77	W47-L73 PolarHBondContact NE1-O 2.96Å; H50-L73 HydrophobicContact CB-CD2 4.22Å; I51-L73 HydrophobicContact CB-CD2 4.47Å; I51-L73 HydrophobicContact CG1-CD1 4.47Å; I51-L73 HydrophobicContact CG1-CD2 3.73Å; T54-L73 HydrophobicContact CG2-CD1 3.81Å; Y69-L73 WeakPolarHBondContact O-CB 3.34Å; Y69-L73 WeakPolarHBondContact O-CG 3.28Å; Y69-L73 PolarHBondContact O-N 3.49Å; L73-G77 PolarHBondContact O-N 2.94Å
74	I	54.2	Low	59.4	Low	61 Å²	61	62.7 Å²	62.7	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-42.4	177.2	-72.1	170.4	0	0	0	110.7	M1 Q70 D72 G77 N78	M1-I74 HydrophobicContact CE-CD1 4.42Å; Q70-I74 HydrophobicContact CG-CD1 3.71Å; Q70-I74 HydrophobicContact CG-CG1 4.47Å; Q70-I74 WeakPolarHBondContact O-CB 3.42Å; Q70-I74 WeakPolarHBondContact O-CG1 3.08Å; Q70-I74 PolarHBondContact O-N 3.45Å; D72-I74 PolarHBondContact O-N 3.17Å; I74-G77 PolarHBondContact O-N 3.18Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.18Å; I74-N78 VanDerWaalsContact O-CB 3.26Å; I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 3.38Å; I74-N78 PolarHBondContact O-ND2 3.43Å
75	T	59.3	Low	58.1	Low	93 Å²	93	59.1 Å²	59.1	57%	0.571	29%	0.289	S	S	*	.	H	α-helix	trans	-64	-44.2	-179.5	-61.2	0	0	0	0	110.9	N71 D72 R79	N71-T75 VanDerWaalsContact O-CB 3.24Å; N71-T75 WeakPolarHBondContact O-CB 3.32Å; N71-T75 PolarHBondContact O-N 2.67Å; N71-T75 PolarHBondContact O-OG1 3.27Å; D72-T75 PolarHBondContact O-N 2.59Å; T75-R79 PolarHBondContact O-N 3.03Å
76	E	59.3	Low	56.7	Low	50 Å²	50	62 Å²	62	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-43.6	177	-169.6	171.9	-166.6	0	0	112	W47 H50 D72 N78 R79 I80	W47-E76 HydrophobicContact CB-CG 4.29Å; W47-E76 HydrophobicContact CG-CG 4.25Å; H50-E76 IonicContact CE1-OE2 3.74Å; H50-E76 IonicContact CG-OE2 2.73Å; H50-E76 IonicContact ND1-OE2 2.71Å; H50-E76 PolarHBondContact ND1-OE2 3.35Å; D72-E76 PolarHBondContact O-N 3.32Å; E76-N78 PolarHBondContact O-N 3.09Å; E76-R79 WeakPolarHBondContact O-CB 3.11Å; E76-R79 PolarHBondContact O-N 2.81Å; E76-I80 HydrophobicContact CG-CD1 4.33Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.35Å
77	G	55.7	Low	56.2	Low	12 Å²	12	62.5 Å²	62.5	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-43.8	175.3	0	0	0	0	0	112.7	L73 I74 R79 I80 L81	L73-G77 PolarHBondContact O-N 2.94Å; I74-G77 PolarHBondContact O-N 3.18Å; G77-R79 VanDerWaalsContact C-N 3.31Å; G77-R79 PolarHBondContact O-N 3.24Å; G77-I80 PolarHBondContact O-N 3.03Å; G77-L81 WeakPolarHBondContact O-CB 3.24Å; G77-L81 PolarHBondContact O-N 3.18Å
78	N	52.5	Low	55.2	Low	63 Å²	63	60.4 Å²	60.4	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-38.5	174.8	-76.4	-24	0	0	0	112	I74 E76 L81 M82	I74-N78 WeakPolarHBondContact CG2-ND2 3.18Å; I74-N78 VanDerWaalsContact O-CB 3.26Å; I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 3.38Å; I74-N78 PolarHBondContact O-ND2 3.43Å; E76-N78 PolarHBondContact O-N 3.09Å; N78-L81 PolarHBondContact O-N 3.37Å; N78-M82 WeakPolarHBondContact O-CB 3.45Å; N78-M82 WeakPolarHBondContact O-CG 3.27Å; N78-M82 PolarHBondContact O-N 2.89Å
79	R	56	Low	54	Low	166 Å²	166	63.4 Å²	63.4	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-66.7	-42.5	177.3	-172.1	179	178.8	160.8	1.2	111.7	M43 T75 E76 G77 M82 L83	M43-R79 HydrophobicContact CE-CG 4.12Å; T75-R79 PolarHBondContact O-N 3.03Å; E76-R79 WeakPolarHBondContact O-CB 3.11Å; E76-R79 PolarHBondContact O-N 2.81Å; G77-R79 VanDerWaalsContact C-N 3.31Å; G77-R79 PolarHBondContact O-N 3.24Å; R79-M82 PolarHBondContact O-N 3.31Å; R79-L83 HydrophobicContact CG-CD1 4.19Å; R79-L83 WeakPolarHBondContact O-CB 3.21Å; R79-L83 VanDerWaalsContact O-CG 3.29Å; R79-L83 WeakPolarHBondContact O-CG 3.25Å; R79-L83 PolarHBondContact O-N 2.83Å
80	I	54.4	Low	52.6	Low	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-48.4	174.9	-67.7	166.4	0	0	0	109.9	V26 I40 M43 W47 E76 G77 M82 L83 A84	V26-I80 HydrophobicContact CG1-CG2 4.38Å; I40-I80 HydrophobicContact CG2-CG2 4.45Å; M43-I80 HydrophobicContact CB-CD1 4.1Å; M43-I80 HydrophobicContact CB-CG1 3.81Å; M43-I80 HydrophobicContact CE-CG1 3.87Å; M43-I80 WeakPolarHBondContact O-CD1 3.24Å; W47-I80 HydrophobicContact CB-CD1 3.41Å; W47-I80 VanDerWaalsContact CB-CD1 3.41Å; W47-I80 HydrophobicContact CD2-CD1 4.08Å; W47-I80 HydrophobicContact CE3-CD1 4.22Å; W47-I80 HydrophobicContact CG-CD1 3.77Å; E76-I80 HydrophobicContact CG-CD1 4.33Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.35Å; G77-I80 PolarHBondContact O-N 3.03Å; I80-M82 PolarHBondContact O-N 2.75Å; I80-L83 PolarHBondContact O-N 2.9Å; I80-A84 VanDerWaalsContact O-CB 3.31Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 2.8Å
81	L	51.3	Low	51.8	Low	50 Å²	50	66.9 Å²	66.9	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-42	179.4	-175.9	64.6	0	0	0	111.4	G77 N78 A84 M85	G77-L81 WeakPolarHBondContact O-CB 3.24Å; G77-L81 PolarHBondContact O-N 3.18Å; N78-L81 PolarHBondContact O-N 3.37Å; L81-A84 CarbonylContact O-C 3.58Å; L81-A84 PolarHBondContact O-N 2.77Å; L81-M85 HydrophobicContact CD1-CG 4.18Å; L81-M85 HydrophobicContact CD1-SD 4.25Å; L81-M85 HydrophobicContact CD2-SD 4.31Å; L81-M85 HydrophobicContact CG-CG 4.22Å; L81-M85 HydrophobicContact CG-SD 3.86Å; L81-M85 VanDerWaalsContact O-CB 3.22Å; L81-M85 WeakPolarHBondContact O-CB 3.19Å; L81-M85 WeakPolarHBondContact O-CG 3.43Å; L81-M85 PolarHBondContact O-N 3.39Å
82	M	51.7	Low	50.8	Low	90 Å²	90	71.1 Å²	71.1	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-45	174.7	-82.9	178.2	35.5	0	0	112.1	N78 R79 I80 A84 M85 Q86	N78-M82 WeakPolarHBondContact O-CB 3.45Å; N78-M82 WeakPolarHBondContact O-CG 3.27Å; N78-M82 PolarHBondContact O-N 2.89Å; R79-M82 PolarHBondContact O-N 3.31Å; I80-M82 PolarHBondContact O-N 2.75Å; M82-A84 VanDerWaalsContact C-N 3.32Å; M82-M85 CarbonylContact O-C 3.53Å; M82-M85 PolarHBondContact O-N 3.43Å; M82-Q86 VanDerWaalsContact O-CB 3.31Å; M82-Q86 WeakPolarHBondContact O-CB 3.34Å; M82-Q86 VanDerWaalsContact O-CG 3.22Å; M82-Q86 WeakPolarHBondContact O-CG 3.33Å; M82-Q86 PolarHBondContact O-N 3.42Å
83	L	52	Low	49.5	Very low	60 Å²	60	71.5 Å²	71.5	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-36.6	177.6	-71.9	168.2	0	0	0	111.7	M43 R79 I80 S87	M43-L83 HydrophobicContact CE-CD1 3.58Å; M43-L83 HydrophobicContact SD-CD1 3.47Å; M43-L83 WeakPolarHBondContact SD-CD1 3.5Å; R79-L83 HydrophobicContact CG-CD1 4.19Å; R79-L83 WeakPolarHBondContact O-CB 3.21Å; R79-L83 VanDerWaalsContact O-CG 3.29Å; R79-L83 WeakPolarHBondContact O-CG 3.25Å; R79-L83 PolarHBondContact O-N 2.83Å; I80-L83 PolarHBondContact O-N 2.9Å; L83-S87 WeakPolarHBondContact O-CB 3Å; L83-S87 PolarHBondContact O-N 2.69Å; L83-S87 PolarHBondContact O-OG 3.37Å
84	A	49.7	Very low	48.6	Very low	3 Å²	3	72.9 Å²	72.9	3%	0.025	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-50.1	169.6	0	0	0	0	0	110.2	C30 I80 L81 M82 Q86 S87 L88	C30-A84 VanDerWaalsContact SG-CB 3.53Å; I80-A84 VanDerWaalsContact O-CB 3.31Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 2.8Å; L81-A84 CarbonylContact O-C 3.58Å; L81-A84 PolarHBondContact O-N 2.77Å; M82-A84 VanDerWaalsContact C-N 3.32Å; A84-Q86 VanDerWaalsContact C-N 3.3Å; A84-Q86 PolarHBondContact O-N 3.12Å; A84-S87 WeakPolarHBondContact CA-OG 3.4Å; A84-S87 CarbonylContact O-C 3.53Å; A84-S87 PolarHBondContact O-N 2.75Å; A84-S87 PolarHBondContact O-OG 2.74Å; A84-L88 HydrophobicContact CB-CD1 4.1Å; A84-L88 WeakPolarHBondContact O-CB 3.42Å; A84-L88 VanDerWaalsContact O-CD1 3.23Å; A84-L88 WeakPolarHBondContact O-CD1 3.39Å; A84-L88 WeakPolarHBondContact O-CG 3.27Å; A84-L88 PolarHBondContact O-N 3.27Å
85	M	46.7	Very low	48	Very low	52 Å²	52	74.9 Å²	74.9	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-68.1	-22	179.8	-73.1	-179.1	74.3	0	0	114.5	L81 M82 L88 L142	L81-M85 HydrophobicContact CD1-CG 4.18Å; L81-M85 HydrophobicContact CD1-SD 4.25Å; L81-M85 HydrophobicContact CD2-SD 4.31Å; L81-M85 HydrophobicContact CG-CG 4.22Å; L81-M85 HydrophobicContact CG-SD 3.86Å; L81-M85 VanDerWaalsContact O-CB 3.22Å; L81-M85 WeakPolarHBondContact O-CB 3.19Å; L81-M85 WeakPolarHBondContact O-CG 3.43Å; L81-M85 PolarHBondContact O-N 3.39Å; M82-M85 CarbonylContact O-C 3.53Å; M82-M85 PolarHBondContact O-N 3.43Å; M85-L88 CarbonylContact C-O 3.56Å; M85-L142 HydrophobicContact CE-CD2 3.84Å; M85-L142 HydrophobicContact SD-CD2 3.64Å
86	Q	43.3	Very low	47.3	Very low	143 Å²	143	74.9 Å²	74.9	67%	0.668	37%	0.37	S	S	*	.	H	α-helix	trans	-83.4	-33	172.7	-76.6	174.6	-9.9	0	0	111.6	M82 A84	M82-Q86 VanDerWaalsContact O-CB 3.31Å; M82-Q86 WeakPolarHBondContact O-CB 3.34Å; M82-Q86 VanDerWaalsContact O-CG 3.22Å; M82-Q86 WeakPolarHBondContact O-CG 3.33Å; M82-Q86 PolarHBondContact O-N 3.42Å; A84-Q86 VanDerWaalsContact C-N 3.3Å; A84-Q86 PolarHBondContact O-N 3.12Å
87	S	43.9	Very low	46.4	Very low	40 Å²	40	75 Å²	75	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-80.9	-26.1	173.6	56.4	0	0	0	0	112.7	I40 L83 A84	I40-S87 VanDerWaalsContact CD1-OG 3.28Å; I40-S87 WeakPolarHBondContact CD1-OG 3.19Å; L83-S87 WeakPolarHBondContact O-CB 3Å; L83-S87 PolarHBondContact O-N 2.69Å; L83-S87 PolarHBondContact O-OG 3.37Å; A84-S87 WeakPolarHBondContact CA-OG 3.4Å; A84-S87 CarbonylContact O-C 3.53Å; A84-S87 PolarHBondContact O-N 2.75Å; A84-S87 PolarHBondContact O-OG 2.74Å
88	L	43	Very low	45.6	Very low	33 Å²	33	76.8 Å²	76.8	17%	0.173	38%	0.382	C	S	.	.	S	Bend	trans	-86.7	129.9	171	-65.8	162.1	0	0	0	108.8	S33 A84 M85 F90	S33-L88 WeakPolarHBondContact OG-CD2 3.14Å; A84-L88 HydrophobicContact CB-CD1 4.1Å; A84-L88 WeakPolarHBondContact O-CB 3.42Å; A84-L88 VanDerWaalsContact O-CD1 3.23Å; A84-L88 WeakPolarHBondContact O-CD1 3.39Å; A84-L88 WeakPolarHBondContact O-CG 3.27Å; A84-L88 PolarHBondContact O-N 3.27Å; M85-L88 CarbonylContact C-O 3.56Å; L88-F90 HydrophobicContact CB-CB 3.9Å; L88-F90 PolarHBondContact O-N 3.32Å
89	K	47.7	Very low	45	Very low	190 Å²	190	77.1 Å²	77.1	83%	0.826	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	39	169.8	-67.6	177.2	176.5	175.8	0	112.7	T93	K89-T93 PolarHBondContact O-OG1 2.65Å
90	F	38.6	Very low	44.3	Very low	87 Å²	87	73 Å²	73	38%	0.382	38%	0.379	S	S	.	.	H	α-helix	trans	-84.5	-37.6	-163.5	-150.9	-118.1	0	0	0	113.5	L88 K92 T93 I94	L88-F90 HydrophobicContact CB-CB 3.9Å; L88-F90 PolarHBondContact O-N 3.32Å; F90-K92 PolarHBondContact O-N 3.4Å; F90-T93 PolarHBondContact O-N 3.15Å; F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.16Å; F90-I94 HydrophobicContact CE1-CD1 3.35Å; F90-I94 HydrophobicContact CE1-CG1 4.07Å; F90-I94 HydrophobicContact CZ-CD1 4.13Å; F90-I94 HydrophobicContact CZ-CG1 4.48Å; F90-I94 PolarHBondContact O-N 2.84Å
91	G	37.8	Very low	43.4	Very low	41 Å²	41	76.4 Å²	76.4	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-41.3	-179.2	0	0	0	0	0	113.9	T93 N95	G91-T93 VanDerWaalsContact C-N 3.31Å; G91-T93 PolarHBondContact O-N 3.35Å; G91-N95 PolarHBondContact O-N 3.02Å
92	K	42	Very low	42.3	Very low	187 Å²	187	76.8 Å²	76.8	81%	0.813	41%	0.413	S	S	*	.	H	α-helix	trans	-67.6	-32.2	173.1	-72.8	-174.7	176.4	-177.7	0	112.4	F90 K96	F90-K92 PolarHBondContact O-N 3.4Å; K92-K96 VanDerWaalsContact O-CB 3.3Å; K92-K96 WeakPolarHBondContact O-CB 3.15Å; K92-K96 PolarHBondContact O-N 3.14Å; K92-K96 VanDerWaalsContact O-N 3.14Å
93	T	41.5	Very low	41.4	Very low	74 Å²	74	77.7 Å²	77.7	45%	0.454	42%	0.419	S	S	.	.	H	α-helix	trans	-76.6	-39.3	-176.4	-55	0	0	0	0	111.9	K89 F90 G91 S97	K89-T93 PolarHBondContact O-OG1 2.65Å; F90-T93 PolarHBondContact O-N 3.15Å; G91-T93 VanDerWaalsContact C-N 3.31Å; G91-T93 PolarHBondContact O-N 3.35Å; T93-S97 WeakPolarHBondContact O-CB 3.35Å; T93-S97 PolarHBondContact O-N 2.94Å; T93-S97 PolarHBondContact O-OG 2.79Å
94	I	41	Very low	40.5	Very low	34 Å²	34	81.9 Å²	81.9	17%	0.174	44%	0.437	C	S	.	.	H	α-helix	trans	-66.3	-46.7	174.6	-73.7	-179.1	0	0	0	111.4	F90 K96 S97 M98 M145	F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.16Å; F90-I94 HydrophobicContact CE1-CD1 3.35Å; F90-I94 HydrophobicContact CE1-CG1 4.07Å; F90-I94 HydrophobicContact CZ-CD1 4.13Å; F90-I94 HydrophobicContact CZ-CG1 4.48Å; F90-I94 PolarHBondContact O-N 2.84Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.47Å; I94-S97 PolarHBondContact O-N 2.78Å; I94-M98 HydrophobicContact CG2-CE 3.97Å; I94-M98 HydrophobicContact CG2-CG 4.39Å; I94-M98 WeakPolarHBondContact O-CG 3.48Å; I94-M98 PolarHBondContact O-N 3.4Å; I94-M145 HydrophobicContact CG2-SD 4.31Å
95	N	42	Very low	39.3	Very low	103 Å²	103	84.5 Å²	84.5	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-60.2	-42.4	177.9	-94.9	-2.7	0	0	0	111.6	G91 M98 C99	G91-N95 PolarHBondContact O-N 3.02Å; N95-M98 PolarHBondContact O-N 2.88Å; N95-C99 PolarHBondContact O-N 2.88Å; N95-C99 VanDerWaalsContact O-N 3.17Å; N95-C99 PolarHBondContact O-SG 3.42Å; N95-C99 VanDerWaalsContact O-SG 3.37Å
96	K	44.6	Very low	38.4	Very low	93 Å²	93	92 Å²	92	40%	0.404	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-47.6	174.8	-176.6	175.2	175.3	-170.1	0	111.5	K92 I94 M98 C99 D100 S178	K92-K96 VanDerWaalsContact O-CB 3.3Å; K92-K96 WeakPolarHBondContact O-CB 3.15Å; K92-K96 PolarHBondContact O-N 3.14Å; K92-K96 VanDerWaalsContact O-N 3.14Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.47Å; K96-M98 VanDerWaalsContact C-N 3.33Å; K96-M98 PolarHBondContact O-N 3.38Å; K96-C99 WeakPolarHBondContact O-CB 3.29Å; K96-C99 PolarHBondContact O-N 3.42Å; K96-C99 VanDerWaalsContact O-N 3.13Å; K96-D100 WeakPolarHBondContact CE-OD2 3.34Å; K96-D100 WeakPolarHBondContact CG-OD2 3.36Å; K96-D100 WeakPolarHBondContact O-CB 3.44Å; K96-D100 PolarHBondContact O-N 3.03Å; K96-S178 PolarHBondContact NZ-OG 2.81Å
97	S	38.5	Very low	37.6	Very low	52 Å²	52	92.7 Å²	92.7	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-35.5	179.6	-53.2	0	0	0	0	112.8	T93 I94 D100 L101	T93-S97 WeakPolarHBondContact O-CB 3.35Å; T93-S97 PolarHBondContact O-N 2.94Å; T93-S97 PolarHBondContact O-OG 2.79Å; I94-S97 PolarHBondContact O-N 2.78Å; S97-D100 PolarHBondContact O-N 2.88Å; S97-L101 WeakPolarHBondContact O-CB 3.36Å; S97-L101 WeakPolarHBondContact O-CD1 3.35Å; S97-L101 WeakPolarHBondContact O-CG 3.2Å; S97-L101 PolarHBondContact O-N 2.86Å
98	M	40	Very low	36.7	Very low	51 Å²	51	94.4 Å²	94.4	25%	0.251	50%	0.499	S	S	.	.	H	α-helix	trans	-69.4	-34.1	174.9	-70.6	-155.9	-177.2	0	0	112.9	I94 N95 K96 L103	I94-M98 HydrophobicContact CG2-CE 3.97Å; I94-M98 HydrophobicContact CG2-CG 4.39Å; I94-M98 WeakPolarHBondContact O-CG 3.48Å; I94-M98 PolarHBondContact O-N 3.4Å; N95-M98 PolarHBondContact O-N 2.88Å; K96-M98 VanDerWaalsContact C-N 3.33Å; K96-M98 PolarHBondContact O-N 3.38Å; M98-L103 PolarHBondContact O-N 2.73Å
99	C	39.2	Very low	35.9	Very low	69 Å²	69	98.9 Å²	98.9	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-68.1	-44.6	171.6	-70.9	0	0	0	0	111.5	N95 K96 L101 G102	N95-C99 PolarHBondContact O-N 2.88Å; N95-C99 VanDerWaalsContact O-N 3.17Å; N95-C99 PolarHBondContact O-SG 3.42Å; N95-C99 VanDerWaalsContact O-SG 3.37Å; K96-C99 WeakPolarHBondContact O-CB 3.29Å; K96-C99 PolarHBondContact O-N 3.42Å; K96-C99 VanDerWaalsContact O-N 3.13Å; C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 PolarHBondContact O-N 2.7Å; C99-G102 PolarHBondContact O-N 2.79Å
100	D	42.1	Very low	34.8	Very low	79 Å²	79	98.3 Å²	98.3	42%	0.422	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-33.6	-177.2	-64.2	-15	0	0	0	111.5	K96 S97 G102	K96-D100 WeakPolarHBondContact CE-OD2 3.34Å; K96-D100 WeakPolarHBondContact CG-OD2 3.36Å; K96-D100 WeakPolarHBondContact O-CB 3.44Å; K96-D100 PolarHBondContact O-N 3.03Å; S97-D100 PolarHBondContact O-N 2.88Å; D100-G102 PolarHBondContact O-N 3.33Å; D100-G102 VanDerWaalsContact O-N 3.14Å
101	L	34.5	Very low	34.3	Very low	73 Å²	73	101.1 Å²	101.1	38%	0.382	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	8.9	178	-71.1	169.6	0	0	0	115.2	S97 C99 L103	S97-L101 WeakPolarHBondContact O-CB 3.36Å; S97-L101 WeakPolarHBondContact O-CD1 3.35Å; S97-L101 WeakPolarHBondContact O-CG 3.2Å; S97-L101 PolarHBondContact O-N 2.86Å; C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 PolarHBondContact O-N 2.7Å; L101-L103 HydrophobicContact CB-CD1 4.04Å; L101-L103 HydrophobicContact CB-CG 4.08Å; L101-L103 HydrophobicContact CD1-CD1 4.33Å; L101-L103 PolarHBondContact O-N 3.02Å
102	G	29.6	Very low	33.9	Very low	58 Å²	58	102.9 Å²	102.9	60%	0.598	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	13.9	-179.8	0	0	0	0	0	113.9	C99 D100 H104	C99-G102 PolarHBondContact O-N 2.79Å; D100-G102 PolarHBondContact O-N 3.33Å; D100-G102 VanDerWaalsContact O-N 3.14Å; G102-H104 PolarHBondContact O-N 3.46Å
103	L	32.6	Very low	33.2	Very low	109 Å²	109	101.7 Å²	101.7	57%	0.571	52%	0.517	S	S	*	.			trans	-76.5	36.5	176.5	-64.9	171	0	0	0	111.6	M98 L101 A105	M98-L103 PolarHBondContact O-N 2.73Å; L101-L103 HydrophobicContact CB-CD1 4.04Å; L101-L103 HydrophobicContact CB-CG 4.08Å; L101-L103 HydrophobicContact CD1-CD1 4.33Å; L101-L103 PolarHBondContact O-N 3.02Å; L103-A105 PolarHBondContact O-N 3.36Å
104	H	31.7	Very low	32.9	Very low	148 Å²	148	103.5 Å²	103.5	69%	0.685	52%	0.524	S	S	*	.			trans	-66.8	51	157.3	-75.9	-49.5	0	0	0	110.5	G102 K106	G102-H104 PolarHBondContact O-N 3.46Å; H104-K106 PolarHBondContact O-N 3.19Å
105	A	25.8	Very low	32.5	Very low	58 Å²	58	105 Å²	105	48%	0.479	53%	0.53	S	S	.	.			trans	-71.8	92.1	161.1	0	0	0	0	0	106.4	L103 K107 V108	L103-A105 PolarHBondContact O-N 3.36Å; A105-K107 PolarHBondContact O-N 2.86Å; A105-V108 HydrophobicContact CB-CB 4.2Å; A105-V108 HydrophobicContact CB-CG2 3.4Å; A105-V108 VanDerWaalsContact CB-CG2 3.4Å; A105-V108 PolarHBondContact O-N 3.35Å
106	K	26.3	Very low	31.9	Very low	209 Å²	209	105.8 Å²	105.8	91%	0.909	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	13	172.2	-93.7	178.8	171	177	0	116.8	H104	H104-K106 PolarHBondContact O-N 3.19Å
107	K	26.5	Very low	31.4	Very low	159 Å²	159	106.7 Å²	106.7	69%	0.691	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.3	15.5	175.6	-66.8	-167.8	176.5	178.8	0	114.7	A105	A105-K107 PolarHBondContact O-N 2.86Å
108	V	26.1	Very low	31.1	Very low	76 Å²	76	111.8 Å²	111.8	46%	0.461	56%	0.561	S	S	.	*	S	Bend	trans	-90.1	-7.9	-178.9	176	0	0	0	0	113	A105	A105-V108 HydrophobicContact CB-CB 4.2Å; A105-V108 HydrophobicContact CB-CG2 3.4Å; A105-V108 VanDerWaalsContact CB-CG2 3.4Å; A105-V108 PolarHBondContact O-N 3.35Å
109	F	25.7	Very low	30.8	Very low	126 Å²	126	118.3 Å²	118.3	55%	0.553	59%	0.591	S	S	*	*	S	Bend	trans	-132.3	105.8	162.4	-64.4	-89.4	0	0	0	106.5	W111	F109-W111 PolarHBondContact O-N 3.39Å
110	Y	25.3	Very low	30.4	Very low	179 Å²	179	123.9 Å²	123.9	70%	0.702	61%	0.61	S	S	*	*			trans	-71	108.4	158.5	-83.7	-99.4	0	0	0	104.9
111	W	27	Very low	29.7	Very low	145 Å²	145	129.3 Å²	129.3	55%	0.549	63%	0.633	S	S	.	*			trans	-127.5	122.8	136	-85.8	-1.9	0	0	0	106.1	F109 E115 L116	F109-W111 PolarHBondContact O-N 3.39Å; W111-E115 VanDerWaalsContact CA-OE2 3.24Å; W111-E115 WeakPolarHBondContact CA-OE2 3.39Å; W111-L116 HydrophobicContact CE3-CD2 4.01Å; W111-L116 HydrophobicContact CE3-CG 4.24Å; W111-L116 HydrophobicContact CZ3-CD2 4.12Å
112	T	30.2	Very low	29.3	Very low	79 Å²	79	129.5 Å²	129.5	49%	0.485	65%	0.652	S	S	.	*			trans	-73.7	147.1	174.3	39.7	0	0	0	0	108.8	N114 E115	T112-N114 PolarHBondContact O-N 3.39Å; T112-E115 PolarHBondContact N-OE2 2.99Å; T112-E115 VanDerWaalsContact N-OE2 3.13Å; T112-E115 PolarHBondContact O-N 3.44Å
113	K	28.1	Very low	29.2	Very low	162 Å²	162	138.6 Å²	138.6	70%	0.704	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-45.8	-28.6	177.7	-157.4	176.9	177.4	-171.7	0	113.8	E115 L116 D117	K113-E115 VanDerWaalsContact C-N 3.33Å; K113-E115 PolarHBondContact O-N 3.3Å; K113-L116 PolarHBondContact O-N 2.83Å; K113-D117 PolarHBondContact O-N 3.45Å
114	N	34.2	Very low	29.1	Very low	112 Å²	112	140.9 Å²	140.9	60%	0.599	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-66.8	-20.9	175.2	-66.1	-2	0	0	0	115.6	T112 Q118	T112-N114 PolarHBondContact O-N 3.39Å; N114-Q118 VanDerWaalsContact O-CG 3.31Å; N114-Q118 WeakPolarHBondContact O-CG 3.46Å
115	E	33	Very low	29	Very low	65 Å²	65	141 Å²	141	30%	0.304	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-89.1	-11.5	-179.4	-67.9	171.7	134.8	0	0	112.6	W111 T112 K113	W111-E115 VanDerWaalsContact CA-OE2 3.24Å; W111-E115 WeakPolarHBondContact CA-OE2 3.39Å; T112-E115 PolarHBondContact N-OE2 2.99Å; T112-E115 VanDerWaalsContact N-OE2 3.13Å; T112-E115 PolarHBondContact O-N 3.44Å; K113-E115 VanDerWaalsContact C-N 3.33Å; K113-E115 PolarHBondContact O-N 3.3Å
116	L	30.1	Very low	29.1	Very low	119 Å²	119	145 Å²	145	62%	0.623	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-21.4	175.8	-73	164.6	0	0	0	112.6	W111 K113	W111-L116 HydrophobicContact CE3-CD2 4.01Å; W111-L116 HydrophobicContact CE3-CG 4.24Å; W111-L116 HydrophobicContact CZ3-CD2 4.12Å; K113-L116 PolarHBondContact O-N 2.83Å
117	D	32.3	Very low	29.2	Very low	113 Å²	113	142 Å²	142	60%	0.604	70%	0.698	S	S	*	*	S	Bend	trans	-93.6	-0.9	-178.1	-65.4	-21.5	0	0	0	113.2	K113	K113-D117 PolarHBondContact O-N 3.45Å
118	Q	33.2	Very low	29.3	Very low	158 Å²	158	139.5 Å²	139.5	74%	0.738	71%	0.707	S	S	*	*	S	Bend	trans	-95.7	-1	-175	-83.4	-173.8	-3.2	0	0	115.8	N114	N114-Q118 VanDerWaalsContact O-CG 3.31Å; N114-Q118 WeakPolarHBondContact O-CG 3.46Å
119	E	33.4	Very low	29.3	Very low	188 Å²	188	141 Å²	141	88%	0.879	73%	0.727	S	S	*	*	S	Bend	trans	-97.2	0.8	-180	-75.6	-167.7	159.4	0	0	115.1
120	E	31.1	Very low	29.4	Very low	187 Å²	187	140 Å²	140	87%	0.874	74%	0.742	S	S	*	*	S	Bend	trans	-116.6	-11.8	-175.6	-88.5	-169.8	152.9	0	0	118
121	E	26.6	Very low	29.6	Very low	193 Å²	193	136.5 Å²	136.5	90%	0.902	75%	0.751	S	S	*	*	S	Bend	trans	-150.7	126.2	179.5	-75.7	-179.4	159.1	0	0	112.6
122	G	27	Very low	29.6	Very low	76 Å²	76	134.4 Å²	134.4	78%	0.784	76%	0.764	S	S	*	*			trans	139.4	82.5	156.8	0	0	0	0	0	117.8	I124	G122-I124 PolarHBondContact O-N 2.92Å
123	R	28.2	Very low	29.6	Very low	250 Å²	250	136.1 Å²	136.1	94%	0.943	78%	0.779	S	S	*	*			trans	-71.9	104.5	162.2	179.7	-171.5	-172.7	172.2	2.6	110.2
124	I	30	Very low	29.8	Very low	156 Å²	156	131.9 Å²	131.9	80%	0.8	77%	0.768	S	S	*	*			trans	-151.9	96.9	166.3	-54.1	-179	0	0	0	107.6	G122	G122-I124 PolarHBondContact O-N 2.92Å
125	D	29.8	Very low	29.5	Very low	151 Å²	151	136 Å²	136	81%	0.807	78%	0.784	S	S	*	*				89.9	131.3	90.5	-145	4.9	0	0	0	112.8
126	D	27.9	Very low	29.5	Very low	141 Å²	141	136.3 Å²	136.3	75%	0.754	79%	0.79	S	S	*	*	S	Bend	trans	-72.2	154.3	-159.2	-74	-49	0	0	0	113.3
127	T	28.4	Very low	29.7	Very low	147 Å²	147	133 Å²	133	90%	0.902	78%	0.777	S	S	*	*	S	Bend	trans	97.1	15.3	156.9	64.8	0	0	0	0	123.5
128	A	28.5	Very low	29.5	Very low	107 Å²	107	131.4 Å²	131.4	88%	0.884	78%	0.775	S	S	*	*	S	Bend	trans	-151.6	22.2	172.6	0	0	0	0	0	119.6
129	A	26.5	Very low	29.3	Very low	107 Å²	107	129 Å²	129	88%	0.884	76%	0.763	S	S	*	*			trans	-131.4	90.6	-175.7	0	0	0	0	0	113
130	A	27.4	Very low	29.3	Very low	104 Å²	104	122 Å²	122	86%	0.86	73%	0.733	S	S	*	*			trans	-121.6	115.8	167.9	0	0	0	0	0	110.2
131	A	27.9	Very low	29.3	Very low	107 Å²	107	116 Å²	116	88%	0.884	71%	0.706	S	S	*	*			trans	81.8	67.4	160.3	0	0	0	0	0	118.6
132	A	28	Very low	29.6	Very low	100 Å²	100	108.6 Å²	108.6	83%	0.826	67%	0.673	S	S	*	*			trans	-132.4	101.4	151.1	0	0	0	0	0	110.2
133	S	29.6	Very low	29.9	Very low	116 Å²	116	107.4 Å²	107.4	81%	0.811	65%	0.652	S	S	*	*			trans	44.5	151.4	147.2	-145.9	0	0	0	0	121.4
134	P	32.6	Very low	30.2	Very low	73 Å²	73	101.3 Å²	101.3	47%	0.474	63%	0.633	S	S	.	*			cis	-146.6	100.4	17.4	35.1	-9.6	0	0	0	115.6	V136	P134-V136 PolarHBondContact O-N 3.1Å; P134-V136 VanDerWaalsContact O-N 3.13Å
135	E	28.5	Very low	30.4	Very low	197 Å²	197	96.2 Å²	96.2	92%	0.921	61%	0.606	S	S	*	*			trans	-85	82.5	167.8	-74	179.1	163.6	0	0	110.7	S137	E135-S137 PolarHBondContact O-N 3.3Å
136	V	31.9	Very low	30.6	Very low	72 Å²	72	92.6 Å²	92.6	44%	0.436	59%	0.589	S	S	.	*			trans	-72	85.4	157	-175.8	0	0	0	0	106.7	P134 S138 V140 I141	P134-V136 PolarHBondContact O-N 3.1Å; P134-V136 VanDerWaalsContact O-N 3.13Å; V136-S138 PolarHBondContact O-N 3.42Å; V136-V140 HydrophobicContact CG1-CB 3.84Å; V136-V140 HydrophobicContact CG1-CG1 3.97Å; V136-V140 HydrophobicContact CG1-CG2 4.46Å; V136-I141 HydrophobicContact CG1-CD1 4.46Å; V136-I141 HydrophobicContact CG1-CG1 4.05Å
137	S	34.2	Very low	31	Very low	50 Å²	50	91.2 Å²	91.2	35%	0.35	58%	0.577	S	S	.	*			trans	-51.6	138.5	180	170.4	0	0	0	0	110.8	E135 H139 V140	E135-S137 PolarHBondContact O-N 3.3Å; S137-H139 VanDerWaalsContact CB-CE1 3.45Å; S137-H139 WeakPolarHBondContact CB-CE1 3.47Å; S137-H139 WeakPolarHBondContact CB-ND1 3.4Å; S137-H139 PolarHBondContact O-N 3.32Å; S137-H139 PolarHBondContact OG-ND1 3.16Å; S137-V140 WeakPolarHBondContact O-CB 3.46Å; S137-V140 PolarHBondContact O-N 3.4Å
138	S	29.4	Very low	31.3	Very low	79 Å²	79	87.8 Å²	87.8	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-46.9	-25.8	-179.6	39.2	0	0	0	0	113.9	V136 V140 I141 L142	V136-S138 PolarHBondContact O-N 3.42Å; S138-V140 PolarHBondContact O-N 2.95Å; S138-I141 PolarHBondContact O-N 2.74Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.3Å
139	H	28.8	Very low	31.6	Very low	107 Å²	107	86.9 Å²	86.9	50%	0.495	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-35.3	172.4	82.6	-91.5	0	0	0	114	S137 S143	S137-H139 VanDerWaalsContact CB-CE1 3.45Å; S137-H139 WeakPolarHBondContact CB-CE1 3.47Å; S137-H139 WeakPolarHBondContact CB-ND1 3.4Å; S137-H139 PolarHBondContact O-N 3.32Å; S137-H139 PolarHBondContact OG-ND1 3.16Å; H139-S143 WeakPolarHBondContact O-CB 3.37Å; H139-S143 PolarHBondContact O-N 3.48Å
140	V	33.6	Very low	32.1	Very low	42 Å²	42	86 Å²	86	26%	0.255	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-38.6	177.9	-179.1	0	0	0	0	110.3	V136 S137 S138 K144	V136-V140 HydrophobicContact CG1-CB 3.84Å; V136-V140 HydrophobicContact CG1-CG1 3.97Å; V136-V140 HydrophobicContact CG1-CG2 4.46Å; S137-V140 WeakPolarHBondContact O-CB 3.46Å; S137-V140 PolarHBondContact O-N 3.4Å; S138-V140 PolarHBondContact O-N 2.95Å; V140-K144 HydrophobicContact CG1-CD 4.15Å; V140-K144 WeakPolarHBondContact O-CB 3.43Å; V140-K144 WeakPolarHBondContact O-CG 3.07Å; V140-K144 PolarHBondContact O-N 2.86Å; V140-K144 VanDerWaalsContact O-N 3.09Å
141	I	31.4	Very low	32.4	Very low	60 Å²	60	85.7 Å²	85.7	31%	0.308	49%	0.492	S	S	.	.	H	α-helix	trans	-68.5	-49	179.3	-63.3	173.6	0	0	0	109.9	V136 S138 K144 M145	V136-I141 HydrophobicContact CG1-CD1 4.46Å; V136-I141 HydrophobicContact CG1-CG1 4.05Å; S138-I141 PolarHBondContact O-N 2.74Å; I141-K144 PolarHBondContact O-N 3.29Å; I141-M145 HydrophobicContact CG2-CE 3.56Å; I141-M145 WeakPolarHBondContact O-CG 3.34Å; I141-M145 PolarHBondContact O-N 3.24Å
142	L	31.2	Very low	33	Very low	39 Å²	39	84.2 Å²	84.2	20%	0.204	47%	0.466	C	S	.	.	H	α-helix	trans	-66.2	-43.3	177.9	-86.9	151.7	0	0	0	112.5	M85 S138 K144 M145 V146	M85-L142 HydrophobicContact CE-CD2 3.84Å; M85-L142 HydrophobicContact SD-CD2 3.64Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 PolarHBondContact O-N 3.3Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 3.45Å; L142-M145 PolarHBondContact O-N 2.87Å; L142-M145 VanDerWaalsContact O-N 3.13Å; L142-V146 WeakPolarHBondContact O-CB 3.25Å; L142-V146 WeakPolarHBondContact O-CG2 3.11Å; L142-V146 PolarHBondContact O-N 3.45Å
143	S	33.6	Very low	33.6	Very low	50 Å²	50	82.8 Å²	82.8	35%	0.35	44%	0.443	S	S	.	.	H	α-helix	trans	-59.4	-38.5	174.9	-176.2	0	0	0	0	111.7	H139 K147	H139-S143 WeakPolarHBondContact O-CB 3.37Å; H139-S143 PolarHBondContact O-N 3.48Å; S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 WeakPolarHBondContact O-CD 3.44Å; S143-K147 WeakPolarHBondContact O-CG 3.43Å; S143-K147 PolarHBondContact O-N 3.13Å
144	K	35.4	Very low	34.1	Very low	123 Å²	123	80.6 Å²	80.6	54%	0.535	42%	0.422	S	S	.	.	H	α-helix	trans	-70.2	-38.7	174.8	-75.5	174.7	-179.2	177.5	0	112.3	V140 I141 L142 K148	V140-K144 HydrophobicContact CG1-CD 4.15Å; V140-K144 WeakPolarHBondContact O-CB 3.43Å; V140-K144 WeakPolarHBondContact O-CG 3.07Å; V140-K144 PolarHBondContact O-N 2.86Å; V140-K144 VanDerWaalsContact O-N 3.09Å; I141-K144 PolarHBondContact O-N 3.29Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 3.45Å; K144-K148 WeakPolarHBondContact O-CB 2.9Å; K144-K148 WeakPolarHBondContact O-CG 3.48Å; K144-K148 PolarHBondContact O-N 3.17Å
145	M	34.1	Very low	34.3	Very low	48 Å²	48	81.7 Å²	81.7	24%	0.236	42%	0.423	C	S	.	.	H	α-helix	trans	-69	-44.4	176.9	-71.9	-159.1	-146.8	0	0	112.5	I94 I141 L142 K148 F149	I94-M145 HydrophobicContact CG2-SD 4.31Å; I141-M145 HydrophobicContact CG2-CE 3.56Å; I141-M145 WeakPolarHBondContact O-CG 3.34Å; I141-M145 PolarHBondContact O-N 3.24Å; L142-M145 PolarHBondContact O-N 2.87Å; L142-M145 VanDerWaalsContact O-N 3.13Å; M145-K148 PolarHBondContact O-N 3.35Å; M145-F149 WeakPolarHBondContact O-CB 3.31Å; M145-F149 PolarHBondContact O-N 3.5Å
146	V	33.5	Very low	35	Very low	75 Å²	75	74 Å²	74	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.4	173.4	0	0	0	0	110.4	L142 K148 F149 V150	L142-V146 WeakPolarHBondContact O-CB 3.25Å; L142-V146 WeakPolarHBondContact O-CG2 3.11Å; L142-V146 PolarHBondContact O-N 3.45Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 2.88Å; V146-F149 PolarHBondContact O-N 2.88Å; V146-V150 HydrophobicContact CG1-CG2 4.26Å; V146-V150 WeakPolarHBondContact O-CB 3.48Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.41Å; V146-V150 PolarHBondContact O-N 3.5Å
147	K	35.6	Very low	35.5	Very low	112 Å²	112	78 Å²	78	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-58.1	-44.3	173	-77.6	171.5	-175.5	166.6	0	112.3	S143 F149 V150 I151	S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 WeakPolarHBondContact O-CD 3.44Å; S143-K147 WeakPolarHBondContact O-CG 3.43Å; S143-K147 PolarHBondContact O-N 3.13Å; K147-F149 VanDerWaalsContact C-N 3.33Å; K147-F149 PolarHBondContact O-N 2.91Å; K147-V150 PolarHBondContact O-N 2.84Å; K147-I151 VanDerWaalsContact O-CB 3.32Å; K147-I151 WeakPolarHBondContact O-CB 3.3Å; K147-I151 VanDerWaalsContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CD1 3.38Å; K147-I151 WeakPolarHBondContact O-CG1 3.48Å; K147-I151 PolarHBondContact O-N 3.48Å
148	K	34.9	Very low	35.8	Very low	75 Å²	75	84.3 Å²	84.3	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-36.4	177.2	-74.4	172.2	-177.9	-178.9	0	112.3	K144 M145 V146 F152	K144-K148 WeakPolarHBondContact O-CB 2.9Å; K144-K148 WeakPolarHBondContact O-CG 3.48Å; K144-K148 PolarHBondContact O-N 3.17Å; M145-K148 PolarHBondContact O-N 3.35Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 2.88Å; K148-F152 VanDerWaalsContact O-CB 3.27Å; K148-F152 WeakPolarHBondContact O-CB 3.4Å; K148-F152 PolarHBondContact O-N 2.86Å
149	F	35.7	Very low	36.5	Very low	88 Å²	88	83 Å²	83	39%	0.386	40%	0.399	S	S	.	.	H	α-helix	trans	-73.7	-39.8	177.9	-170.5	-99	0	0	0	112.6	M145 V146 K147 F152 M153	M145-F149 WeakPolarHBondContact O-CB 3.31Å; M145-F149 PolarHBondContact O-N 3.5Å; V146-F149 PolarHBondContact O-N 2.88Å; K147-F149 VanDerWaalsContact C-N 3.33Å; K147-F149 PolarHBondContact O-N 2.91Å; F149-F152 HydrophobicContact CD2-CD1 4.48Å; F149-F152 HydrophobicContact CE2-CD1 4.41Å; F149-F152 WeakPolarHBondContact O-CB 3.35Å; F149-F152 PolarHBondContact O-N 3.4Å; F149-M153 HydrophobicContact CD1-CG 4.19Å; F149-M153 HydrophobicContact CE1-CG 3.79Å; F149-M153 HydrophobicContact CE1-SD 4.46Å; F149-M153 HydrophobicContact CZ-CG 4.08Å; F149-M153 HydrophobicContact CZ-SD 4.22Å; F149-M153 WeakPolarHBondContact O-CG 3.31Å; F149-M153 PolarHBondContact O-N 3.4Å
150	V	36	Very low	37.1	Very low	90 Å²	90	81.9 Å²	81.9	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-44.7	172.7	171.6	0	0	0	0	110.4	V146 K147 F152 M153 D154	V146-V150 HydrophobicContact CG1-CG2 4.26Å; V146-V150 WeakPolarHBondContact O-CB 3.48Å; V146-V150 VanDerWaalsContact O-CG2 3.31Å; V146-V150 WeakPolarHBondContact O-CG2 3.41Å; V146-V150 PolarHBondContact O-N 3.5Å; K147-V150 PolarHBondContact O-N 2.84Å; V150-F152 VanDerWaalsContact C-N 3.32Å; V150-F152 PolarHBondContact O-N 3.22Å; V150-M153 PolarHBondContact O-N 2.89Å; V150-D154 VanDerWaalsContact O-CB 3.29Å; V150-D154 WeakPolarHBondContact O-CB 3.3Å; V150-D154 PolarHBondContact O-N 3.14Å
151	I	35.5	Very low	37.5	Very low	97 Å²	97	83.3 Å²	83.3	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-41.6	173.1	-69.1	164.3	0	0	0	110.7	K147 D154 I155	K147-I151 VanDerWaalsContact O-CB 3.32Å; K147-I151 WeakPolarHBondContact O-CB 3.3Å; K147-I151 VanDerWaalsContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CD1 3.38Å; K147-I151 WeakPolarHBondContact O-CG1 3.48Å; K147-I151 PolarHBondContact O-N 3.48Å; I151-D154 PolarHBondContact O-N 3.18Å; I151-I155 HydrophobicContact CG2-CD1 3.65Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 WeakPolarHBondContact O-CB 3.47Å; I151-I155 WeakPolarHBondContact O-CG1 3.29Å; I151-I155 PolarHBondContact O-N 3.34Å
152	F	39.2	Very low	38	Very low	75 Å²	75	84.2 Å²	84.2	33%	0.329	41%	0.413	S	S	.	.	H	α-helix	trans	-60.8	-47.9	176	170	-95.4	0	0	0	111.9	K148 F149 V150 I155 Y156 H167	K148-F152 VanDerWaalsContact O-CB 3.27Å; K148-F152 WeakPolarHBondContact O-CB 3.4Å; K148-F152 PolarHBondContact O-N 2.86Å; F149-F152 HydrophobicContact CD2-CD1 4.48Å; F149-F152 HydrophobicContact CE2-CD1 4.41Å; F149-F152 WeakPolarHBondContact O-CB 3.35Å; F149-F152 PolarHBondContact O-N 3.4Å; V150-F152 VanDerWaalsContact C-N 3.32Å; V150-F152 PolarHBondContact O-N 3.22Å; F152-I155 PolarHBondContact O-N 3.43Å; F152-Y156 HydrophobicContact CZ-CD2 4.34Å; F152-Y156 VanDerWaalsContact O-CB 3.25Å; F152-Y156 WeakPolarHBondContact O-CB 3.3Å; F152-Y156 PolarHBondContact O-N 2.92Å; F152-H167 AromaticContact CZ-CE1 3.87Å
153	M	40.7	Very low	38.6	Very low	71 Å²	71	86.8 Å²	86.8	35%	0.35	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-36.6	178.5	-71.5	-59.8	-62.7	0	0	112.4	F149 V150 Y156 K157	F149-M153 HydrophobicContact CD1-CG 4.19Å; F149-M153 HydrophobicContact CE1-CG 3.79Å; F149-M153 HydrophobicContact CE1-SD 4.46Å; F149-M153 HydrophobicContact CZ-CG 4.08Å; F149-M153 HydrophobicContact CZ-SD 4.22Å; F149-M153 WeakPolarHBondContact O-CG 3.31Å; F149-M153 PolarHBondContact O-N 3.4Å; V150-M153 PolarHBondContact O-N 2.89Å; M153-Y156 PolarHBondContact O-N 3.07Å; M153-K157 WeakPolarHBondContact O-CB 3.19Å; M153-K157 VanDerWaalsContact O-CG 3.28Å; M153-K157 WeakPolarHBondContact O-CG 3.31Å; M153-K157 PolarHBondContact O-N 2.73Å
154	D	41.1	Very low	39.1	Very low	69 Å²	69	86.5 Å²	86.5	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-42.5	175.3	-173.9	37.9	0	0	0	111.3	V150 I151 R158	V150-D154 VanDerWaalsContact O-CB 3.29Å; V150-D154 WeakPolarHBondContact O-CB 3.3Å; V150-D154 PolarHBondContact O-N 3.14Å; I151-D154 PolarHBondContact O-N 3.18Å; D154-R158 VanDerWaalsContact CG-NH2 3.26Å; D154-R158 WeakPolarHBondContact O-CB 3.38Å; D154-R158 WeakPolarHBondContact O-CD 2.99Å; D154-R158 WeakPolarHBondContact O-CG 3.23Å; D154-R158 PolarHBondContact O-N 3.31Å; D154-R158 IonicContact OD1-CZ 2.67Å; D154-R158 VanDerWaalsContact OD1-CZ 3.31Å; D154-R158 IonicContact OD1-NE 3.31Å; D154-R158 PolarHBondContact OD1-NE 3Å; D154-R158 IonicContact OD1-NH2 3.27Å; D154-R158 PolarHBondContact OD1-NH2 3.37Å; D154-R158 IonicContact OD2-CZ 3.27Å; D154-R158 IonicContact OD2-NE 2.59Å; D154-R158 PolarHBondContact OD2-NE 3.06Å; D154-R158 IonicContact OD2-NH2 3.51Å; D154-R158 PolarHBondContact OD2-NH2 2.88Å
155	I	36.6	Very low	39.4	Very low	97 Å²	97	81 Å²	81	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-45.6	171.3	-68.4	166.8	0	0	0	110.3	I151 F152 K157 R158 M159	I151-I155 HydrophobicContact CG2-CD1 3.65Å; I151-I155 HydrophobicContact CG2-CG1 4.33Å; I151-I155 WeakPolarHBondContact O-CB 3.47Å; I151-I155 WeakPolarHBondContact O-CG1 3.29Å; I151-I155 PolarHBondContact O-N 3.34Å; F152-I155 PolarHBondContact O-N 3.43Å; I155-K157 PolarHBondContact O-N 3.49Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 PolarHBondContact O-N 2.98Å; I155-R158 VanDerWaalsContact O-N 3.09Å; I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.2Å
156	Y	42.3	Very low	39.9	Very low	35 Å²	35	81.5 Å²	81.5	14%	0.137	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-45.4	-178.8	-169.1	-90.8	0	0	0	112	F152 M153 R158 M159 Q164 H167	F152-Y156 HydrophobicContact CZ-CD2 4.34Å; F152-Y156 VanDerWaalsContact O-CB 3.25Å; F152-Y156 WeakPolarHBondContact O-CB 3.3Å; F152-Y156 PolarHBondContact O-N 2.92Å; M153-Y156 PolarHBondContact O-N 3.07Å; Y156-R158 VanDerWaalsContact C-N 3.28Å; Y156-R158 PolarHBondContact O-N 3.48Å; Y156-M159 HydrophobicContact CD2-CE 3.17Å; Y156-M159 HydrophobicContact CE2-CE 3.68Å; Y156-M159 HydrophobicContact CG-CE 3.86Å; Y156-M159 WeakPolarHBondContact O-CB 3.11Å; Y156-M159 PolarHBondContact O-N 3.07Å; Y156-Q164 HydrophobicContact CD1-CG 4.47Å; Y156-Q164 HydrophobicContact CE1-CB 4.23Å; Y156-Q164 HydrophobicContact CE1-CG 4.16Å; Y156-Q164 WeakPolarHBondContact O-CG 3.36Å; Y156-Q164 PolarHBondContact O-NE2 3.11Å; Y156-Q164 VanDerWaalsContact O-NE2 3.16Å; Y156-Q164 PolarHBondContact OH-O 2.98Å; Y156-Q164 VanDerWaalsContact OH-O 3.12Å; Y156-H167 HydrophobicContact CE2-CB 4.01Å; Y156-H167 AromaticContact CE2-CG 3.78Å; Y156-H167 AromaticContact CE2-ND1 3.32Å; Y156-H167 VanDerWaalsContact CE2-ND1 3.32Å; Y156-H167 WeakPolarHBondContact CE2-ND1 3.06Å
157	K	42	Very low	40.6	Very low	155 Å²	155	79.9 Å²	79.9	67%	0.674	38%	0.381	S	S	*	.	H	α-helix	trans	-65.2	-27.9	175.9	-74.1	177.3	178.5	-174.5	0	113.5	M153 I155	M153-K157 WeakPolarHBondContact O-CB 3.19Å; M153-K157 VanDerWaalsContact O-CG 3.28Å; M153-K157 WeakPolarHBondContact O-CG 3.31Å; M153-K157 PolarHBondContact O-N 2.73Å; I155-K157 PolarHBondContact O-N 3.49Å
158	R	41	Very low	41.1	Very low	184 Å²	184	76.1 Å²	76.1	69%	0.694	37%	0.366	S	S	*	.	H	α-helix	trans	-87	-10.4	177.8	-67.6	171.2	-165.4	-151	3.9	113.4	D154 I155 Y156	D154-R158 VanDerWaalsContact CG-NH2 3.26Å; D154-R158 WeakPolarHBondContact O-CB 3.38Å; D154-R158 WeakPolarHBondContact O-CD 2.99Å; D154-R158 WeakPolarHBondContact O-CG 3.23Å; D154-R158 PolarHBondContact O-N 3.31Å; D154-R158 IonicContact OD1-CZ 2.67Å; D154-R158 VanDerWaalsContact OD1-CZ 3.31Å; D154-R158 IonicContact OD1-NE 3.31Å; D154-R158 PolarHBondContact OD1-NE 3Å; D154-R158 IonicContact OD1-NH2 3.27Å; D154-R158 PolarHBondContact OD1-NH2 3.37Å; D154-R158 IonicContact OD2-CZ 3.27Å; D154-R158 IonicContact OD2-NE 2.59Å; D154-R158 PolarHBondContact OD2-NE 3.06Å; D154-R158 IonicContact OD2-NH2 3.51Å; D154-R158 PolarHBondContact OD2-NH2 2.88Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 PolarHBondContact O-N 2.98Å; I155-R158 VanDerWaalsContact O-N 3.09Å; Y156-R158 VanDerWaalsContact C-N 3.28Å; Y156-R158 PolarHBondContact O-N 3.48Å
159	M	44.2	Very low	41.5	Very low	50 Å²	50	74.3 Å²	74.3	25%	0.246	36%	0.362	C	S	.	.	S	Bend	trans	-66.9	141.2	174.3	-71.8	-163.4	-75.4	0	0	109.6	I155 Y156 K163 Q164	I155-M159 WeakPolarHBondContact O-CG 3.44Å; I155-M159 PolarHBondContact O-N 3.2Å; Y156-M159 HydrophobicContact CD2-CE 3.17Å; Y156-M159 HydrophobicContact CE2-CE 3.68Å; Y156-M159 HydrophobicContact CG-CE 3.86Å; Y156-M159 WeakPolarHBondContact O-CB 3.11Å; Y156-M159 PolarHBondContact O-N 3.07Å; M159-K163 HydrophobicContact CB-CB 4.09Å; M159-K163 HydrophobicContact SD-CB 4.11Å; M159-Q164 HydrophobicContact CB-CG 3.89Å; M159-Q164 PolarHBondContact O-NE2 2.9Å
160	P	42.7	Very low	42.2	Very low	85 Å²	85	76.4 Å²	76.4	55%	0.552	37%	0.367	S	S	*	.			trans	-60.9	150.6	169.8	7.5	0.6	0	0	0	110	D162 K163 Q164	P160-D162 VanDerWaalsContact CB-OD1 3.28Å; P160-D162 WeakPolarHBondContact CB-OD1 3.39Å; P160-D162 PolarHBondContact O-N 3.08Å; P160-D162 VanDerWaalsContact O-N 3.17Å; P160-K163 WeakPolarHBondContact O-CB 3.3Å; P160-K163 PolarHBondContact O-N 2.73Å; P160-Q164 PolarHBondContact O-N 2.8Å
161	L	41.6	Very low	42.7	Very low	71 Å²	71	75.5 Å²	75.5	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-57.5	-35.3	-166.1	-172	67.6	0	0	0	112.6	K163 Q164 V165	L161-K163 VanDerWaalsContact C-N 3.3Å; L161-K163 PolarHBondContact O-N 2.9Å; L161-Q164 PolarHBondContact O-N 3.08Å; L161-V165 VanDerWaalsContact O-CG2 3.31Å; L161-V165 WeakPolarHBondContact O-CG2 3.28Å; L161-V165 PolarHBondContact O-N 3.06Å
162	D	40.5	Very low	43	Very low	79 Å²	79	72.9 Å²	72.9	42%	0.422	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-40.2	174.5	67.1	-42.5	0	0	0	112.5	P160 V165 E166	P160-D162 VanDerWaalsContact CB-OD1 3.28Å; P160-D162 WeakPolarHBondContact CB-OD1 3.39Å; P160-D162 PolarHBondContact O-N 3.08Å; P160-D162 VanDerWaalsContact O-N 3.17Å; D162-V165 PolarHBondContact O-N 3.49Å; D162-E166 WeakPolarHBondContact O-CB 3.06Å; D162-E166 PolarHBondContact O-N 2.72Å
163	K	45.7	Very low	43.3	Very low	94 Å²	94	74.6 Å²	74.6	41%	0.409	35%	0.354	S	S	.	.	H	α-helix	trans	-74.6	-33.5	176.9	-67.7	-62.5	174	-169	0	113	M159 P160 L161 E166 H167	M159-K163 HydrophobicContact CB-CB 4.09Å; M159-K163 HydrophobicContact SD-CB 4.11Å; P160-K163 WeakPolarHBondContact O-CB 3.3Å; P160-K163 PolarHBondContact O-N 2.73Å; L161-K163 VanDerWaalsContact C-N 3.3Å; L161-K163 PolarHBondContact O-N 2.9Å; K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 2.76Å; K163-E166 PolarHBondContact NZ-OE2 3.12Å; K163-H167 VanDerWaalsContact O-CB 3.27Å; K163-H167 WeakPolarHBondContact O-CB 3.42Å; K163-H167 PolarHBondContact O-N 2.83Å
164	Q	42.2	Very low	43.6	Very low	43 Å²	43	74.5 Å²	74.5	20%	0.201	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-45.9	171.1	-62.1	-175.3	29.3	0	0	110.4	Y156 M159 P160 L161 H167 L168	Y156-Q164 HydrophobicContact CD1-CG 4.47Å; Y156-Q164 HydrophobicContact CE1-CB 4.23Å; Y156-Q164 HydrophobicContact CE1-CG 4.16Å; Y156-Q164 WeakPolarHBondContact O-CG 3.36Å; Y156-Q164 PolarHBondContact O-NE2 3.11Å; Y156-Q164 VanDerWaalsContact O-NE2 3.16Å; Y156-Q164 PolarHBondContact OH-O 2.98Å; Y156-Q164 VanDerWaalsContact OH-O 3.12Å; M159-Q164 HydrophobicContact CB-CG 3.89Å; M159-Q164 PolarHBondContact O-NE2 2.9Å; P160-Q164 PolarHBondContact O-N 2.8Å; L161-Q164 PolarHBondContact O-N 3.08Å; Q164-H167 PolarHBondContact O-N 2.84Å; Q164-L168 VanDerWaalsContact O-CB 3.22Å; Q164-L168 WeakPolarHBondContact O-CB 3.44Å; Q164-L168 PolarHBondContact O-N 3.27Å
165	V	41.9	Very low	43.7	Very low	8 Å²	8	74.7 Å²	74.7	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-43	176.8	177.5	0	0	0	0	111.2	L161 D162 H167 L168 V169 F228	L161-V165 VanDerWaalsContact O-CG2 3.31Å; L161-V165 WeakPolarHBondContact O-CG2 3.28Å; L161-V165 PolarHBondContact O-N 3.06Å; D162-V165 PolarHBondContact O-N 3.49Å; V165-H167 PolarHBondContact O-N 3.44Å; V165-L168 PolarHBondContact O-N 2.73Å; V165-V169 HydrophobicContact CG1-CG2 4.22Å; V165-V169 WeakPolarHBondContact O-CB 3.32Å; V165-V169 VanDerWaalsContact O-CG2 3.28Å; V165-V169 WeakPolarHBondContact O-CG2 3.32Å; V165-V169 PolarHBondContact O-N 3.18Å; V165-F228 HydrophobicContact CB-CE2 4.4Å; V165-F228 HydrophobicContact CB-CZ 3.99Å; V165-F228 HydrophobicContact CG1-CD2 4.39Å; V165-F228 HydrophobicContact CG1-CE1 3.87Å; V165-F228 HydrophobicContact CG1-CE2 3.68Å; V165-F228 HydrophobicContact CG1-CZ 3.38Å
166	E	45.4	Very low	43.9	Very low	59 Å²	59	71.1 Å²	71.1	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-48.2	174.5	-174.7	-175.6	173	0	0	111.3	D162 K163 L168 V169 R170	D162-E166 WeakPolarHBondContact O-CB 3.06Å; D162-E166 PolarHBondContact O-N 2.72Å; K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 2.76Å; K163-E166 PolarHBondContact NZ-OE2 3.12Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 2.89Å; E166-V169 PolarHBondContact O-N 3.31Å; E166-R170 WeakPolarHBondContact O-CG 3.2Å; E166-R170 PolarHBondContact O-N 3.14Å; E166-R170 IonicContact OE1-CZ 2.69Å; E166-R170 IonicContact OE1-NE 3.57Å; E166-R170 IonicContact OE1-NH2 2.7Å; E166-R170 PolarHBondContact OE1-NH2 2.89Å
167	H	48.7	Very low	44.1	Very low	41 Å²	41	76 Å²	76	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-39.2	177.7	-174.8	-89	0	0	0	111.6	F152 Y156 K163 Q164 V165 R170 L171	F152-H167 AromaticContact CZ-CE1 3.87Å; Y156-H167 HydrophobicContact CE2-CB 4.01Å; Y156-H167 AromaticContact CE2-CG 3.78Å; Y156-H167 AromaticContact CE2-ND1 3.32Å; Y156-H167 VanDerWaalsContact CE2-ND1 3.32Å; Y156-H167 WeakPolarHBondContact CE2-ND1 3.06Å; K163-H167 VanDerWaalsContact O-CB 3.27Å; K163-H167 WeakPolarHBondContact O-CB 3.42Å; K163-H167 PolarHBondContact O-N 2.83Å; Q164-H167 PolarHBondContact O-N 2.84Å; V165-H167 PolarHBondContact O-N 3.44Å; H167-R170 PolarHBondContact O-N 3.32Å; H167-L171 VanDerWaalsContact O-CG 3.32Å; H167-L171 WeakPolarHBondContact O-CG 3.4Å; H167-L171 PolarHBondContact O-N 2.73Å
168	L	44.7	Very low	43.8	Very low	33 Å²	33	70 Å²	70	17%	0.173	34%	0.338	C	S	.	.	H	α-helix	trans	-70.4	-39.9	179.4	-165.5	54.6	0	0	0	112.6	Q164 V165 E166 L171 I172 V213 I217	Q164-L168 VanDerWaalsContact O-CB 3.22Å; Q164-L168 WeakPolarHBondContact O-CB 3.44Å; Q164-L168 PolarHBondContact O-N 3.27Å; V165-L168 PolarHBondContact O-N 2.73Å; E166-L168 VanDerWaalsContact C-N 3.3Å; E166-L168 PolarHBondContact O-N 2.89Å; L168-L171 HydrophobicContact CD1-CD1 4.38Å; L168-L171 PolarHBondContact O-N 2.83Å; L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 2.79Å; L168-V213 HydrophobicContact CD1-CG1 3.55Å; L168-V213 HydrophobicContact CD2-CG1 3.82Å; L168-V213 HydrophobicContact CG-CG1 3.85Å; L168-I217 HydrophobicContact CD2-CD1 3.36Å; L168-I217 HydrophobicContact CD2-CG1 3.32Å; L168-I217 HydrophobicContact CG-CD1 3.84Å; L168-I217 HydrophobicContact CG-CG1 4.34Å
169	V	44.4	Very low	43.7	Very low	37 Å²	37	63.9 Å²	63.9	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-45.1	172.6	169.8	0	0	0	0	110.2	V165 E166 L171 I172 E173	V165-V169 HydrophobicContact CG1-CG2 4.22Å; V165-V169 WeakPolarHBondContact O-CB 3.32Å; V165-V169 VanDerWaalsContact O-CG2 3.28Å; V165-V169 WeakPolarHBondContact O-CG2 3.32Å; V165-V169 PolarHBondContact O-N 3.18Å; E166-V169 PolarHBondContact O-N 3.31Å; V169-L171 PolarHBondContact O-N 3.34Å; V169-I172 WeakPolarHBondContact O-CB 3.1Å; V169-I172 PolarHBondContact O-N 2.88Å; V169-I172 VanDerWaalsContact O-N 3.13Å; V169-E173 HydrophobicContact CG1-CG 4.46Å; V169-E173 WeakPolarHBondContact O-CG 3.06Å; V169-E173 PolarHBondContact O-N 3.36Å
170	R	49.6	Very low	43.4	Very low	131 Å²	131	62.7 Å²	62.7	49%	0.494	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-42.7	174.2	-73.6	-177.9	-170.9	-163.8	4.6	112.4	E166 H167 I172 E173 E174	E166-R170 WeakPolarHBondContact O-CG 3.2Å; E166-R170 PolarHBondContact O-N 3.14Å; E166-R170 IonicContact OE1-CZ 2.69Å; E166-R170 IonicContact OE1-NE 3.57Å; E166-R170 IonicContact OE1-NH2 2.7Å; E166-R170 PolarHBondContact OE1-NH2 2.89Å; H167-R170 PolarHBondContact O-N 3.32Å; R170-I172 VanDerWaalsContact C-N 3.29Å; R170-I172 PolarHBondContact O-N 3.3Å; R170-E173 PolarHBondContact O-N 2.88Å; R170-E174 WeakPolarHBondContact O-CB 3.38Å; R170-E174 WeakPolarHBondContact O-CG 3.46Å; R170-E174 PolarHBondContact O-N 2.88Å
171	L	46	Very low	43.1	Very low	72 Å²	72	60.8 Å²	60.8	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-38	174.6	-76.1	173.6	0	0	0	112.1	H167 L168 V169 H175	H167-L171 VanDerWaalsContact O-CG 3.32Å; H167-L171 WeakPolarHBondContact O-CG 3.4Å; H167-L171 PolarHBondContact O-N 2.73Å; L168-L171 HydrophobicContact CD1-CD1 4.38Å; L168-L171 PolarHBondContact O-N 2.83Å; V169-L171 PolarHBondContact O-N 3.34Å; L171-H175 WeakPolarHBondContact O-CB 3.47Å; L171-H175 PolarHBondContact O-N 2.92Å
172	I	43.1	Very low	42.6	Very low	41 Å²	41	62.2 Å²	62.2	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-43.5	175.5	-66	164.8	0	0	0	110.4	L168 V169 R170 H175 A176 M210 I217	L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 2.79Å; V169-I172 WeakPolarHBondContact O-CB 3.1Å; V169-I172 PolarHBondContact O-N 2.88Å; V169-I172 VanDerWaalsContact O-N 3.13Å; R170-I172 VanDerWaalsContact C-N 3.29Å; R170-I172 PolarHBondContact O-N 3.3Å; I172-H175 PolarHBondContact O-N 2.9Å; I172-A176 VanDerWaalsContact O-CB 3.28Å; I172-A176 WeakPolarHBondContact O-CB 3.19Å; I172-A176 PolarHBondContact O-N 3.38Å; I172-M210 HydrophobicContact CB-CE 4.47Å; I172-M210 HydrophobicContact CG1-CE 3.82Å; I172-M210 HydrophobicContact CG2-CE 4.19Å; I172-I217 HydrophobicContact CD1-CD1 4.33Å
173	E	45.2	Very low	42.3	Very low	112 Å²	112	61.7 Å²	61.7	52%	0.523	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-51.2	176.2	-72.4	177.2	158.4	0	0	111.5	V169 R170 H175 A176 E177	V169-E173 HydrophobicContact CG1-CG 4.46Å; V169-E173 WeakPolarHBondContact O-CG 3.06Å; V169-E173 PolarHBondContact O-N 3.36Å; R170-E173 PolarHBondContact O-N 2.88Å; E173-H175 VanDerWaalsContact C-N 3.32Å; E173-H175 PolarHBondContact O-N 3.16Å; E173-A176 CarbonylContact O-C 3.57Å; E173-A176 WeakPolarHBondContact O-CB 3.32Å; E173-A176 PolarHBondContact O-N 3.2Å; E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 WeakPolarHBondContact O-CG 3.42Å; E173-E177 PolarHBondContact O-N 3.15Å
174	E	46.3	Very low	41.9	Very low	69 Å²	69	60.7 Å²	60.7	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-35.4	177.7	-73.3	173.8	-169.9	0	0	112.1	R170 S178	R170-E174 WeakPolarHBondContact O-CB 3.38Å; R170-E174 WeakPolarHBondContact O-CG 3.46Å; R170-E174 PolarHBondContact O-N 2.88Å; E174-S178 WeakPolarHBondContact O-CA 3.08Å; E174-S178 WeakPolarHBondContact O-CB 3.14Å; E174-S178 PolarHBondContact O-N 2.93Å; E174-S178 PolarHBondContact O-OG 2.78Å; E174-S178 VanDerWaalsContact O-OG 3.12Å
175	H	42.9	Very low	41.3	Very low	72 Å²	72	64.2 Å²	64.2	33%	0.333	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-40.9	174.2	-168.4	84.6	0	0	0	111.1	L171 I172 E173 S178 Q179 L204	L171-H175 WeakPolarHBondContact O-CB 3.47Å; L171-H175 PolarHBondContact O-N 2.92Å; I172-H175 PolarHBondContact O-N 2.9Å; E173-H175 VanDerWaalsContact C-N 3.32Å; E173-H175 PolarHBondContact O-N 3.16Å; H175-S178 PolarHBondContact O-N 3.13Å; H175-Q179 PolarHBondContact NE2-NE2 3.01Å; H175-Q179 VanDerWaalsContact NE2-NE2 3.15Å; H175-Q179 WeakPolarHBondContact O-CB 3.35Å; H175-Q179 VanDerWaalsContact O-CG 3.24Å; H175-Q179 WeakPolarHBondContact O-CG 3.48Å; H175-Q179 PolarHBondContact O-N 3.37Å; H175-L204 WeakPolarHBondContact CD2-CD2 3.26Å
176	A	42.3	Very low	40.9	Very low	23 Å²	23	69.1 Å²	69.1	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-45.6	172.7	0	0	0	0	0	111	I172 E173 S178 Q179 V180 L204	I172-A176 VanDerWaalsContact O-CB 3.28Å; I172-A176 WeakPolarHBondContact O-CB 3.19Å; I172-A176 PolarHBondContact O-N 3.38Å; E173-A176 CarbonylContact O-C 3.57Å; E173-A176 WeakPolarHBondContact O-CB 3.32Å; E173-A176 PolarHBondContact O-N 3.2Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.03Å; A176-Q179 PolarHBondContact O-N 3.21Å; A176-V180 VanDerWaalsContact O-CB 3.27Å; A176-V180 WeakPolarHBondContact O-CB 3.12Å; A176-V180 WeakPolarHBondContact O-CG2 3.38Å; A176-V180 PolarHBondContact O-N 3.06Å; A176-L204 HydrophobicContact CB-CD1 4.06Å
177	E	46.1	Very low	40.5	Very low	138 Å²	138	68.1 Å²	68.1	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-61.6	-40.2	173.5	-75.4	-172.8	176	0	0	111.9	E173 V180 A181	E173-E177 WeakPolarHBondContact O-CB 3.42Å; E173-E177 WeakPolarHBondContact O-CG 3.42Å; E173-E177 PolarHBondContact O-N 3.15Å; E177-V180 CarbonylContact O-C 3.58Å; E177-V180 WeakPolarHBondContact O-CB 3.36Å; E177-V180 PolarHBondContact O-N 2.83Å; E177-A181 WeakPolarHBondContact O-CB 3.22Å; E177-A181 PolarHBondContact O-N 2.97Å
178	S	35.6	Very low	39.9	Very low	27 Å²	27	69.6 Å²	69.6	19%	0.189	38%	0.382	C	S	.	.	H	α-helix	trans	-66.6	-40.7	176.2	-87.4	0	0	0	0	112	K96 E174 H175 A176 A181 L182	K96-S178 PolarHBondContact NZ-OG 2.81Å; E174-S178 WeakPolarHBondContact O-CA 3.08Å; E174-S178 WeakPolarHBondContact O-CB 3.14Å; E174-S178 PolarHBondContact O-N 2.93Å; E174-S178 PolarHBondContact O-OG 2.78Å; E174-S178 VanDerWaalsContact O-OG 3.12Å; H175-S178 PolarHBondContact O-N 3.13Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.03Å; S178-A181 PolarHBondContact O-N 3.01Å; S178-L182 WeakPolarHBondContact O-CB 3.22Å; S178-L182 PolarHBondContact O-N 3.42Å
179	Q	38.4	Very low	39.6	Very low	57 Å²	57	71.1 Å²	71.1	27%	0.266	41%	0.405	S	S	.	.	H	α-helix	trans	-69.6	-38.4	174.8	-69.4	-68.7	-12.5	0	0	110.8	H175 A176 L182 R183 I200 L204	H175-Q179 PolarHBondContact NE2-NE2 3.01Å; H175-Q179 VanDerWaalsContact NE2-NE2 3.15Å; H175-Q179 WeakPolarHBondContact O-CB 3.35Å; H175-Q179 VanDerWaalsContact O-CG 3.24Å; H175-Q179 WeakPolarHBondContact O-CG 3.48Å; H175-Q179 PolarHBondContact O-N 3.37Å; A176-Q179 PolarHBondContact O-N 3.21Å; Q179-L182 PolarHBondContact O-N 2.88Å; Q179-R183 WeakPolarHBondContact O-CB 3.33Å; Q179-R183 WeakPolarHBondContact O-CG 3.28Å; Q179-R183 PolarHBondContact O-N 3.48Å; Q179-I200 HydrophobicContact CB-CG2 3.65Å; Q179-L204 HydrophobicContact CG-CD2 4.32Å
180	V	38.2	Very low	39.7	Very low	24 Å²	24	75 Å²	75	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-60.2	-48.1	171.1	161.9	0	0	0	0	110.1	A176 E177 R183 K184 L192 I197 I200	A176-V180 VanDerWaalsContact O-CB 3.27Å; A176-V180 WeakPolarHBondContact O-CB 3.12Å; A176-V180 WeakPolarHBondContact O-CG2 3.38Å; A176-V180 PolarHBondContact O-N 3.06Å; E177-V180 CarbonylContact O-C 3.58Å; E177-V180 WeakPolarHBondContact O-CB 3.36Å; E177-V180 PolarHBondContact O-N 2.83Å; V180-R183 CarbonylContact O-C 3.57Å; V180-R183 PolarHBondContact O-N 3.41Å; V180-K184 HydrophobicContact CG1-CD 4.26Å; V180-K184 HydrophobicContact CG1-CG 4.41Å; V180-K184 WeakPolarHBondContact O-CB 3.15Å; V180-K184 VanDerWaalsContact O-CG 3.25Å; V180-K184 WeakPolarHBondContact O-CG 3.47Å; V180-K184 PolarHBondContact O-N 2.81Å; V180-L192 HydrophobicContact CB-CD1 3.8Å; V180-L192 HydrophobicContact CG1-CD1 3.52Å; V180-L192 HydrophobicContact CG1-CG 4.16Å; V180-L192 HydrophobicContact CG2-CD1 3.75Å; V180-I197 HydrophobicContact CG2-CG1 4.49Å; V180-I200 HydrophobicContact CB-CD1 4.23Å; V180-I200 HydrophobicContact CG2-CD1 3.54Å
181	A	36.7	Very low	39.5	Very low	46 Å²	46	77.5 Å²	77.5	38%	0.38	43%	0.43	S	S	.	.	H	α-helix	trans	-66.2	-40.9	178.1	0	0	0	0	0	111.5	E177 S178 R183 K184 V185	E177-A181 WeakPolarHBondContact O-CB 3.22Å; E177-A181 PolarHBondContact O-N 2.97Å; S178-A181 PolarHBondContact O-N 3.01Å; A181-R183 VanDerWaalsContact C-N 3.31Å; A181-R183 PolarHBondContact O-N 3.31Å; A181-K184 PolarHBondContact O-N 2.71Å; A181-V185 WeakPolarHBondContact O-CB 3.26Å; A181-V185 WeakPolarHBondContact O-CG2 3.37Å; A181-V185 PolarHBondContact O-N 3.46Å
182	L	30.1	Very low	39	Very low	100 Å²	100	74.9 Å²	74.9	52%	0.524	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-39.4	175.5	-151.6	89.3	0	0	0	110.7	S178 Q179 T186	S178-L182 WeakPolarHBondContact O-CB 3.22Å; S178-L182 PolarHBondContact O-N 3.42Å; Q179-L182 PolarHBondContact O-N 2.88Å; L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 WeakPolarHBondContact O-CG2 3.46Å; L182-T186 PolarHBondContact O-N 2.8Å; L182-T186 PolarHBondContact O-OG1 3.27Å
183	R	35.7	Very low	39.1	Very low	68 Å²	68	75 Å²	75	26%	0.257	42%	0.421	S	S	.	.	H	α-helix	trans	-72.4	-36.2	173.5	-72	-161.4	-168.7	175.9	-2.3	113.1	Q179 V180 A181 T186 A187 L192 I200	Q179-R183 WeakPolarHBondContact O-CB 3.33Å; Q179-R183 WeakPolarHBondContact O-CG 3.28Å; Q179-R183 PolarHBondContact O-N 3.48Å; V180-R183 CarbonylContact O-C 3.57Å; V180-R183 PolarHBondContact O-N 3.41Å; A181-R183 VanDerWaalsContact C-N 3.31Å; A181-R183 PolarHBondContact O-N 3.31Å; R183-T186 VanDerWaalsContact CA-OG1 3.27Å; R183-T186 WeakPolarHBondContact CA-OG1 3.47Å; R183-T186 PolarHBondContact O-N 3.47Å; R183-T186 PolarHBondContact O-OG1 3.02Å; R183-A187 WeakPolarHBondContact O-CA 3.31Å; R183-A187 WeakPolarHBondContact O-CB 3.43Å; R183-A187 PolarHBondContact O-N 3.47Å; R183-L192 HydrophobicContact CB-CD1 4.44Å; R183-L192 HydrophobicContact CB-CD2 4.21Å; R183-I200 HydrophobicContact CB-CD1 4.32Å; R183-I200 HydrophobicContact CG-CD1 4.35Å; R183-I200 VanDerWaalsContact NH1-CG1 3.29Å
184	K	37.5	Very low	38.9	Very low	74 Å²	74	74.6 Å²	74.6	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-43.5	170.7	-72.4	-174	-177.8	167.7	0	110.9	V180 A181 A187 G188 G189 R190 L192	V180-K184 HydrophobicContact CG1-CD 4.26Å; V180-K184 HydrophobicContact CG1-CG 4.41Å; V180-K184 WeakPolarHBondContact O-CB 3.15Å; V180-K184 VanDerWaalsContact O-CG 3.25Å; V180-K184 WeakPolarHBondContact O-CG 3.47Å; V180-K184 PolarHBondContact O-N 2.81Å; A181-K184 PolarHBondContact O-N 2.71Å; K184-A187 CarbonylContact O-C 3.54Å; K184-A187 PolarHBondContact O-N 3.36Å; K184-G188 PolarHBondContact O-N 2.77Å; K184-G189 WeakPolarHBondContact O-CA 3.43Å; K184-G189 PolarHBondContact O-N 3.24Å; K184-R190 VanDerWaalsContact CG-O 3.24Å; K184-R190 WeakPolarHBondContact CG-O 3.49Å; K184-L192 HydrophobicContact CG-CD1 4.46Å; K184-L192 HydrophobicContact CG-CD2 3.98Å; K184-L192 HydrophobicContact CG-CG 3.72Å
185	V	28.7	Very low	38.8	Very low	117 Å²	117	77.6 Å²	77.6	71%	0.709	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-41.3	178	171	0	0	0	0	111.1	A181 A187	A181-V185 WeakPolarHBondContact O-CB 3.26Å; A181-V185 WeakPolarHBondContact O-CG2 3.37Å; A181-V185 PolarHBondContact O-N 3.46Å; V185-A187 VanDerWaalsContact C-N 3.33Å
186	T	33.2	Very low	38.6	Very low	111 Å²	111	76.1 Å²	76.1	68%	0.681	43%	0.434	S	S	*	.	H	α-helix	trans	-74.8	-20	174.8	46	0	0	0	0	113.7	L182 R183	L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 WeakPolarHBondContact O-CG2 3.46Å; L182-T186 PolarHBondContact O-N 2.8Å; L182-T186 PolarHBondContact O-OG1 3.27Å; R183-T186 VanDerWaalsContact CA-OG1 3.27Å; R183-T186 WeakPolarHBondContact CA-OG1 3.47Å; R183-T186 PolarHBondContact O-N 3.47Å; R183-T186 PolarHBondContact O-OG1 3.02Å
187	A	36.4	Very low	38.4	Very low	38 Å²	38	78.6 Å²	78.6	31%	0.314	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	19	174.8	0	0	0	0	0	114.1	R183 K184 V185 R190	R183-A187 WeakPolarHBondContact O-CA 3.31Å; R183-A187 WeakPolarHBondContact O-CB 3.43Å; R183-A187 PolarHBondContact O-N 3.47Å; K184-A187 CarbonylContact O-C 3.54Å; K184-A187 PolarHBondContact O-N 3.36Å; V185-A187 VanDerWaalsContact C-N 3.33Å; A187-R190 HydrophobicContact CB-CG 4.31Å
188	G	36.4	Very low	38.2	Very low	72 Å²	72	73.3 Å²	73.3	74%	0.742	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	28.5	170.4	0	0	0	0	0	116	K184 R190	K184-G188 PolarHBondContact O-N 2.77Å; G188-R190 VanDerWaalsContact C-N 3.33Å; G188-R190 PolarHBondContact O-N 2.99Å
189	G	40	Very low	38.6	Very low	64 Å²	64	73.8 Å²	73.8	66%	0.66	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	5.2	173.7	0	0	0	0	0	115.4	K184	K184-G189 WeakPolarHBondContact O-CA 3.43Å; K184-G189 PolarHBondContact O-N 3.24Å
190	R	46.4	Very low	38.8	Very low	120 Å²	120	71.2 Å²	71.2	45%	0.453	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-70.6	150.1	176.7	69.8	-174.7	-173.2	84.4	-11.1	111.9	K184 A187 G188 E196	K184-R190 VanDerWaalsContact CG-O 3.24Å; K184-R190 WeakPolarHBondContact CG-O 3.49Å; A187-R190 HydrophobicContact CB-CG 4.31Å; G188-R190 VanDerWaalsContact C-N 3.33Å; G188-R190 PolarHBondContact O-N 2.99Å; R190-E196 IonicContact CZ-OE1 3.42Å; R190-E196 VanDerWaalsContact CZ-OE1 3.27Å; R190-E196 IonicContact CZ-OE2 3.5Å; R190-E196 VanDerWaalsContact CZ-OE2 3.3Å; R190-E196 IonicContact NH1-OE1 3.3Å; R190-E196 IonicContact NH1-OE2 3.95Å; R190-E196 PolarHBondContact NH1-OE2 3.43Å; R190-E196 IonicContact NH2-OE1 2.8Å; R190-E196 PolarHBondContact NH2-OE1 3.37Å; R190-E196 IonicContact NH2-OE2 3.77Å; R190-E196 PolarHBondContact NH2-OE2 3.49Å
191	K	44	Very low	39	Very low	182 Å²	182	72.7 Å²	72.7	79%	0.791	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-61.3	139.1	166	-71.2	-178.4	179.3	179	0	108.6
192	L	36.7	Very low	39.5	Very low	18 Å²	18	74.6 Å²	74.6	9%	0.094	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-71.8	141.9	174.4	-65.5	-173.1	0	0	0	109.6	V180 R183 K184 E196 I197 I200	V180-L192 HydrophobicContact CB-CD1 3.8Å; V180-L192 HydrophobicContact CG1-CD1 3.52Å; V180-L192 HydrophobicContact CG1-CG 4.16Å; V180-L192 HydrophobicContact CG2-CD1 3.75Å; R183-L192 HydrophobicContact CB-CD1 4.44Å; R183-L192 HydrophobicContact CB-CD2 4.21Å; K184-L192 HydrophobicContact CG-CD1 4.46Å; K184-L192 HydrophobicContact CG-CD2 3.98Å; K184-L192 HydrophobicContact CG-CG 3.72Å; L192-E196 WeakPolarHBondContact CA-OE2 3.27Å; L192-E196 HydrophobicContact CB-CB 4.08Å; L192-E196 HydrophobicContact CD1-CB 4.47Å; L192-E196 HydrophobicContact CD2-CB 4.2Å; L192-E196 HydrophobicContact CG-CB 4.48Å; L192-I197 HydrophobicContact CB-CD1 4.37Å; L192-I197 HydrophobicContact CB-CG1 3.89Å; L192-I197 HydrophobicContact CD1-CG1 4.19Å; L192-I200 HydrophobicContact CD1-CD1 3.36Å
193	S	44.7	Very low	40.2	Very low	43 Å²	43	74.2 Å²	74.2	30%	0.301	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-71.8	162.8	168.6	83.1	0	0	0	0	110.3	E195 E196 I197	S193-E195 WeakPolarHBondContact CB-OE2 3.35Å; S193-E195 PolarHBondContact O-N 3.31Å; S193-E195 PolarHBondContact OG-N 2.95Å; S193-E195 PolarHBondContact OG-OE2 3.18Å; S193-E196 PolarHBondContact N-OE2 2.88Å; S193-E196 PolarHBondContact O-N 3.37Å; S193-E196 VanDerWaalsContact O-N 3.15Å; S193-E196 PolarHBondContact OG-N 3.16Å; S193-I197 WeakPolarHBondContact O-CG1 3.21Å; S193-I197 PolarHBondContact O-N 3.46Å; S193-I197 VanDerWaalsContact O-N 3.13Å
194	T	40.6	Very low	40.6	Very low	104 Å²	104	71.9 Å²	71.9	64%	0.638	42%	0.419	S	S	*	.	H	α-helix	trans	-53.2	-42.8	174.6	-56.2	0	0	0	0	110.6	E196 I197 V198	T194-E196 PolarHBondContact O-N 3.44Å; T194-I197 WeakPolarHBondContact O-CB 3.45Å; T194-I197 PolarHBondContact O-N 3.43Å; T194-V198 HydrophobicContact CG2-CG2 4.44Å; T194-V198 WeakPolarHBondContact O-CG2 3.49Å; T194-V198 PolarHBondContact O-N 3.46Å
195	E	43.8	Very low	41.1	Very low	131 Å²	131	71.7 Å²	71.7	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-62.2	-38.2	179.7	-57.9	73.2	-154.3	0	0	112.7	S193 V198 A199	S193-E195 WeakPolarHBondContact CB-OE2 3.35Å; S193-E195 PolarHBondContact O-N 3.31Å; S193-E195 PolarHBondContact OG-N 2.95Å; S193-E195 PolarHBondContact OG-OE2 3.18Å; E195-V198 WeakPolarHBondContact O-CB 3.34Å; E195-V198 PolarHBondContact O-N 2.86Å; E195-A199 WeakPolarHBondContact O-CB 3.11Å; E195-A199 PolarHBondContact O-N 3.23Å
196	E	40.4	Very low	42.1	Very low	42 Å²	42	70.2 Å²	70.2	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-70.9	-37.1	177.4	-68.5	178.3	109.1	0	0	112.1	R190 L192 S193 T194 V198 A199 I200	R190-E196 IonicContact CZ-OE1 3.42Å; R190-E196 VanDerWaalsContact CZ-OE1 3.27Å; R190-E196 IonicContact CZ-OE2 3.5Å; R190-E196 VanDerWaalsContact CZ-OE2 3.3Å; R190-E196 IonicContact NH1-OE1 3.3Å; R190-E196 IonicContact NH1-OE2 3.95Å; R190-E196 PolarHBondContact NH1-OE2 3.43Å; R190-E196 IonicContact NH2-OE1 2.8Å; R190-E196 PolarHBondContact NH2-OE1 3.37Å; R190-E196 IonicContact NH2-OE2 3.77Å; R190-E196 PolarHBondContact NH2-OE2 3.49Å; L192-E196 WeakPolarHBondContact CA-OE2 3.27Å; L192-E196 HydrophobicContact CB-CB 4.08Å; L192-E196 HydrophobicContact CD1-CB 4.47Å; L192-E196 HydrophobicContact CD2-CB 4.2Å; L192-E196 HydrophobicContact CG-CB 4.48Å; S193-E196 PolarHBondContact N-OE2 2.88Å; S193-E196 PolarHBondContact O-N 3.37Å; S193-E196 VanDerWaalsContact O-N 3.15Å; S193-E196 PolarHBondContact OG-N 3.16Å; T194-E196 PolarHBondContact O-N 3.44Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-A199 PolarHBondContact O-N 2.69Å; E196-I200 WeakPolarHBondContact O-CD1 3.5Å; E196-I200 VanDerWaalsContact O-CG1 3.23Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 2.97Å
197	I	37.5	Very low	42.9	Very low	75 Å²	75	68 Å²	68	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-43	172.2	-62.5	169.7	0	0	0	109.5	V180 L192 S193 T194 A199 I200 C201	V180-I197 HydrophobicContact CG2-CG1 4.49Å; L192-I197 HydrophobicContact CB-CD1 4.37Å; L192-I197 HydrophobicContact CB-CG1 3.89Å; L192-I197 HydrophobicContact CD1-CG1 4.19Å; S193-I197 WeakPolarHBondContact O-CG1 3.21Å; S193-I197 PolarHBondContact O-N 3.46Å; S193-I197 VanDerWaalsContact O-N 3.13Å; T194-I197 WeakPolarHBondContact O-CB 3.45Å; T194-I197 PolarHBondContact O-N 3.43Å; I197-A199 PolarHBondContact O-N 3.34Å; I197-I200 PolarHBondContact O-N 3.08Å; I197-C201 PolarHBondContact O-N 3.37Å; I197-C201 PolarHBondContact O-SG 2.88Å; I197-C201 VanDerWaalsContact O-SG 3.37Å
198	V	42.1	Very low	43.5	Very low	26 Å²	26	70.4 Å²	70.4	16%	0.158	41%	0.41	C	S	.	.	H	α-helix	trans	-56	-51	173	-179.2	0	0	0	0	110.9	T194 E195 E196 I200 C201 D202 R233	T194-V198 HydrophobicContact CG2-CG2 4.44Å; T194-V198 WeakPolarHBondContact O-CG2 3.49Å; T194-V198 PolarHBondContact O-N 3.46Å; E195-V198 WeakPolarHBondContact O-CB 3.34Å; E195-V198 PolarHBondContact O-N 2.86Å; E196-V198 VanDerWaalsContact C-N 3.33Å; V198-I200 VanDerWaalsContact C-N 3.27Å; V198-I200 PolarHBondContact O-N 2.88Å; V198-C201 WeakPolarHBondContact O-CB 3.42Å; V198-C201 PolarHBondContact O-N 3.19Å; V198-C201 VanDerWaalsContact O-N 3.1Å; V198-D202 PolarHBondContact O-N 2.99Å; V198-R233 VanDerWaalsContact CG1-NH1 3.28Å
199	A	43.9	Very low	44	Very low	37 Å²	37	72.9 Å²	72.9	31%	0.306	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-33.6	-178.8	0	0	0	0	0	112.5	E195 E196 I197 L203	E195-A199 WeakPolarHBondContact O-CB 3.11Å; E195-A199 PolarHBondContact O-N 3.23Å; E196-A199 PolarHBondContact O-N 2.69Å; I197-A199 PolarHBondContact O-N 3.34Å; A199-L203 WeakPolarHBondContact O-CD1 3.46Å; A199-L203 PolarHBondContact O-N 3.5Å
200	I	41.4	Very low	44.4	Very low	3 Å²	3	71.1 Å²	71.1	2%	0.015	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-48.3	172.8	-68.6	163.5	0	0	0	110.2	Q179 V180 R183 L192 E196 I197 V198 D202 L203 L204	Q179-I200 HydrophobicContact CB-CG2 3.65Å; V180-I200 HydrophobicContact CB-CD1 4.23Å; V180-I200 HydrophobicContact CG2-CD1 3.54Å; R183-I200 HydrophobicContact CB-CD1 4.32Å; R183-I200 HydrophobicContact CG-CD1 4.35Å; R183-I200 VanDerWaalsContact NH1-CG1 3.29Å; L192-I200 HydrophobicContact CD1-CD1 3.36Å; E196-I200 WeakPolarHBondContact O-CD1 3.5Å; E196-I200 VanDerWaalsContact O-CG1 3.23Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 2.97Å; I197-I200 PolarHBondContact O-N 3.08Å; V198-I200 VanDerWaalsContact C-N 3.27Å; V198-I200 PolarHBondContact O-N 2.88Å; I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 2.68Å; I200-L203 WeakPolarHBondContact O-CB 3.2Å; I200-L203 PolarHBondContact O-N 3.48Å; I200-L203 VanDerWaalsContact O-N 3.17Å; I200-L204 HydrophobicContact CG2-CD1 4.23Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 3.09Å
201	C	43.2	Very low	44.7	Very low	56 Å²	56	70.6 Å²	70.6	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-41.2	176.8	-66.5	0	0	0	0	112	I197 V198 L203 L204 L205	I197-C201 PolarHBondContact O-N 3.37Å; I197-C201 PolarHBondContact O-SG 2.88Å; I197-C201 VanDerWaalsContact O-SG 3.37Å; V198-C201 WeakPolarHBondContact O-CB 3.42Å; V198-C201 PolarHBondContact O-N 3.19Å; V198-C201 VanDerWaalsContact O-N 3.1Å; C201-L203 VanDerWaalsContact C-N 3.34Å; C201-L203 PolarHBondContact O-N 3.07Å; C201-L204 WeakPolarHBondContact O-CB 3.32Å; C201-L204 PolarHBondContact O-N 3Å; C201-L205 WeakPolarHBondContact O-CG 3.4Å; C201-L205 PolarHBondContact O-N 3.47Å
202	D	46.2	Very low	45.2	Very low	85 Å²	85	67.4 Å²	67.4	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-41.2	175.8	-67.3	-22.1	0	0	0	111.3	V198 I200 L204 L205 T206	V198-D202 PolarHBondContact O-N 2.99Å; I200-D202 VanDerWaalsContact C-N 3.3Å; I200-D202 PolarHBondContact O-N 2.68Å; D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.32Å; D202-L205 PolarHBondContact O-N 3.45Å; D202-T206 WeakPolarHBondContact O-CG2 3.48Å; D202-T206 PolarHBondContact O-N 2.89Å
203	L	44.8	Very low	45.7	Very low	93 Å²	93	68.4 Å²	68.4	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-38.8	173.4	-94.3	114.8	0	0	0	112.6	A199 I200 C201 L205 T206 D207	A199-L203 WeakPolarHBondContact O-CD1 3.46Å; A199-L203 PolarHBondContact O-N 3.5Å; I200-L203 WeakPolarHBondContact O-CB 3.2Å; I200-L203 PolarHBondContact O-N 3.48Å; I200-L203 VanDerWaalsContact O-N 3.17Å; C201-L203 VanDerWaalsContact C-N 3.34Å; C201-L203 PolarHBondContact O-N 3.07Å; L203-L205 VanDerWaalsContact C-N 3.27Å; L203-L205 PolarHBondContact O-N 3.34Å; L203-T206 WeakPolarHBondContact CA-OG1 3.34Å; L203-T206 PolarHBondContact O-N 3.01Å; L203-T206 VanDerWaalsContact O-N 3.1Å; L203-T206 PolarHBondContact O-OG1 3.26Å; L203-D207 PolarHBondContact O-N 3.25Å
204	L	44.8	Very low	45.9	Very low	19 Å²	19	67.5 Å²	67.5	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-33.2	175.9	-66.8	175.1	0	0	0	112.1	H175 A176 Q179 I200 C201 D202 T206 D207 M210	H175-L204 WeakPolarHBondContact CD2-CD2 3.26Å; A176-L204 HydrophobicContact CB-CD1 4.06Å; Q179-L204 HydrophobicContact CG-CD2 4.32Å; I200-L204 HydrophobicContact CG2-CD1 4.23Å; I200-L204 HydrophobicContact CG2-CG 4.49Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 3.09Å; C201-L204 WeakPolarHBondContact O-CB 3.32Å; C201-L204 PolarHBondContact O-N 3Å; D202-L204 VanDerWaalsContact C-N 3.33Å; D202-L204 PolarHBondContact O-N 3.32Å; L204-T206 VanDerWaalsContact C-N 3.33Å; L204-D207 PolarHBondContact O-N 3.33Å; L204-M210 WeakPolarHBondContact O-CB 3.45Å
205	L	48.3	Very low	46.4	Very low	70 Å²	70	68.6 Å²	68.6	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-74.5	-22.3	173.2	-66.8	172.5	0	0	0	112.9	C201 D202 L203 R211 I214 A237	C201-L205 WeakPolarHBondContact O-CG 3.4Å; C201-L205 PolarHBondContact O-N 3.47Å; D202-L205 PolarHBondContact O-N 3.45Å; L203-L205 VanDerWaalsContact C-N 3.27Å; L203-L205 PolarHBondContact O-N 3.34Å; L205-R211 VanDerWaalsContact O-CD 3.29Å; L205-R211 WeakPolarHBondContact O-CD 3.44Å; L205-R211 VanDerWaalsContact O-CG 3.3Å; L205-R211 WeakPolarHBondContact O-CG 3.5Å; L205-R211 PolarHBondContact O-NE 2.98Å; L205-I214 HydrophobicContact CD2-CD1 3.95Å; L205-A237 HydrophobicContact CD1-CB 4.27Å; L205-A237 HydrophobicContact CD2-CB 4.26Å
206	T	48.8	Very low	46.7	Very low	86 Å²	86	68 Å²	68	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-78.9	-19.4	171.2	64.1	0	0	0	0	113.5	D202 L203 L204 S208 R211	D202-T206 WeakPolarHBondContact O-CG2 3.48Å; D202-T206 PolarHBondContact O-N 2.89Å; L203-T206 WeakPolarHBondContact CA-OG1 3.34Å; L203-T206 PolarHBondContact O-N 3.01Å; L203-T206 VanDerWaalsContact O-N 3.1Å; L203-T206 PolarHBondContact O-OG1 3.26Å; L204-T206 VanDerWaalsContact C-N 3.33Å; T206-S208 PolarHBondContact O-N 2.96Å; T206-R211 PolarHBondContact O-NH2 3.07Å
207	D	50.3	Low	46.9	Very low	65 Å²	65	66.8 Å²	66.8	35%	0.348	34%	0.343	S	S	.	.			trans	-69.4	121.6	179.1	-173.5	-65	0	0	0	110.7	L203 L204 K209 M210 R211	L203-D207 PolarHBondContact O-N 3.25Å; L204-D207 PolarHBondContact O-N 3.33Å; D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.48Å; D207-K209 WeakPolarHBondContact OD1-CA 3.33Å; D207-K209 VanDerWaalsContact OD1-CB 3.22Å; D207-K209 WeakPolarHBondContact OD1-CB 3.29Å; D207-K209 PolarHBondContact OD1-N 2.92Å; D207-M210 HydrophobicContact CB-CB 4.02Å; D207-M210 HydrophobicContact CB-CG 3.93Å; D207-M210 PolarHBondContact O-N 2.93Å; D207-M210 PolarHBondContact OD1-N 3.48Å; D207-R211 PolarHBondContact O-N 2.99Å
208	S	49.2	Very low	47.3	Very low	87 Å²	87	63.4 Å²	63.4	61%	0.608	33%	0.326	S	S	*	.	H	α-helix	trans	-66.3	-27.4	-176.3	58.2	0	0	0	0	113.1	T206 K212	T206-S208 PolarHBondContact O-N 2.96Å; S208-K212 PolarHBondContact O-N 3.47Å; S208-K212 VanDerWaalsContact O-N 3.09Å
209	K	47.2	Very low	47.7	Very low	125 Å²	125	69.7 Å²	69.7	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-75.2	-42.9	176.2	-59	180	177.8	-178.8	0	110.2	D207 R211 K212 V213	D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.48Å; D207-K209 WeakPolarHBondContact OD1-CA 3.33Å; D207-K209 VanDerWaalsContact OD1-CB 3.22Å; D207-K209 WeakPolarHBondContact OD1-CB 3.29Å; D207-K209 PolarHBondContact OD1-N 2.92Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 3.18Å; K209-K212 PolarHBondContact O-N 3.01Å; K209-K212 VanDerWaalsContact O-N 3.13Å; K209-V213 WeakPolarHBondContact O-CG2 3.24Å; K209-V213 PolarHBondContact O-N 3.43Å
210	M	49.2	Very low	47.7	Very low	27 Å²	27	70 Å²	70	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-40.1	172.4	-68.5	-62.8	-66.3	0	0	111.6	I172 L204 D207 K212 V213 I214	I172-M210 HydrophobicContact CB-CE 4.47Å; I172-M210 HydrophobicContact CG1-CE 3.82Å; I172-M210 HydrophobicContact CG2-CE 4.19Å; L204-M210 WeakPolarHBondContact O-CB 3.45Å; D207-M210 HydrophobicContact CB-CB 4.02Å; D207-M210 HydrophobicContact CB-CG 3.93Å; D207-M210 PolarHBondContact O-N 2.93Å; D207-M210 PolarHBondContact OD1-N 3.48Å; M210-K212 VanDerWaalsContact C-N 3.31Å; M210-K212 PolarHBondContact O-N 2.84Å; M210-V213 PolarHBondContact O-N 3.44Å; M210-I214 WeakPolarHBondContact O-CB 3.45Å; M210-I214 WeakPolarHBondContact O-CD1 3.34Å; M210-I214 WeakPolarHBondContact O-CG1 3.47Å; M210-I214 PolarHBondContact O-N 2.95Å
211	R	52.2	Low	47.7	Very low	109 Å²	109	70.1 Å²	70.1	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-32.9	172.8	-78	-169.8	-98.3	-170.3	-7.9	113.7	L205 T206 D207 K209 R215	L205-R211 VanDerWaalsContact O-CD 3.29Å; L205-R211 WeakPolarHBondContact O-CD 3.44Å; L205-R211 VanDerWaalsContact O-CG 3.3Å; L205-R211 WeakPolarHBondContact O-CG 3.5Å; L205-R211 PolarHBondContact O-NE 2.98Å; T206-R211 PolarHBondContact O-NH2 3.07Å; D207-R211 PolarHBondContact O-N 2.99Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 3.18Å; R211-R215 WeakPolarHBondContact O-CB 3.34Å; R211-R215 WeakPolarHBondContact O-CG 3.47Å; R211-R215 PolarHBondContact O-N 3.28Å; R211-R215 PolarHBondContact O-NE 3.03Å
212	K	53.1	Low	47.7	Very low	114 Å²	114	73.6 Å²	73.6	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-71.4	-45.6	175.2	-170.9	179.9	178.2	-174.5	0	110.9	S208 K209 M210 I214 R215 E216	S208-K212 PolarHBondContact O-N 3.47Å; S208-K212 VanDerWaalsContact O-N 3.09Å; K209-K212 PolarHBondContact O-N 3.01Å; K209-K212 VanDerWaalsContact O-N 3.13Å; M210-K212 VanDerWaalsContact C-N 3.31Å; M210-K212 PolarHBondContact O-N 2.84Å; K212-I214 PolarHBondContact O-N 3.38Å; K212-R215 WeakPolarHBondContact O-CB 3.47Å; K212-R215 PolarHBondContact O-N 3.32Å; K212-E216 VanDerWaalsContact CE-OE1 3.25Å; K212-E216 WeakPolarHBondContact CE-OE1 3.08Å; K212-E216 PolarHBondContact O-N 3.23Å
213	V	47.6	Very low	47.4	Very low	40 Å²	40	78.3 Å²	78.3	24%	0.242	39%	0.389	C	S	.	.	H	α-helix	trans	-58.4	-47.9	174.6	169.8	0	0	0	0	111.1	L168 K209 M210 R215 E216 I217	L168-V213 HydrophobicContact CD1-CG1 3.55Å; L168-V213 HydrophobicContact CD2-CG1 3.82Å; L168-V213 HydrophobicContact CG-CG1 3.85Å; K209-V213 WeakPolarHBondContact O-CG2 3.24Å; K209-V213 PolarHBondContact O-N 3.43Å; M210-V213 PolarHBondContact O-N 3.44Å; V213-R215 VanDerWaalsContact C-N 3.32Å; V213-R215 PolarHBondContact O-N 2.83Å; V213-E216 PolarHBondContact O-N 2.8Å; V213-I217 HydrophobicContact CG1-CD1 4.2Å; V213-I217 VanDerWaalsContact O-CG1 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.29Å; V213-I217 PolarHBondContact O-N 3.25Å
214	I	49.1	Very low	47.1	Very low	24 Å²	24	78.1 Å²	78.1	12%	0.123	39%	0.385	C	S	.	.	H	α-helix	trans	-62.2	-38.8	176.7	-67.3	164.3	0	0	0	111.1	L205 M210 K212 I217 L218 L238 L241	L205-I214 HydrophobicContact CD2-CD1 3.95Å; M210-I214 WeakPolarHBondContact O-CB 3.45Å; M210-I214 WeakPolarHBondContact O-CD1 3.34Å; M210-I214 WeakPolarHBondContact O-CG1 3.47Å; M210-I214 PolarHBondContact O-N 2.95Å; K212-I214 PolarHBondContact O-N 3.38Å; I214-I217 PolarHBondContact O-N 3.39Å; I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 2.77Å; I214-L238 HydrophobicContact CG2-CD2 3.85Å; I214-L241 HydrophobicContact CG2-CD1 3.55Å
215	R	52	Low	46.9	Very low	127 Å²	127	78.4 Å²	78.4	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-44.2	174.1	-92.1	-175.4	-79.2	178.7	-7	112.8	R211 K212 V213 I217 L218 H219	R211-R215 WeakPolarHBondContact O-CB 3.34Å; R211-R215 WeakPolarHBondContact O-CG 3.47Å; R211-R215 PolarHBondContact O-N 3.28Å; R211-R215 PolarHBondContact O-NE 3.03Å; K212-R215 WeakPolarHBondContact O-CB 3.47Å; K212-R215 PolarHBondContact O-N 3.32Å; V213-R215 VanDerWaalsContact C-N 3.32Å; V213-R215 PolarHBondContact O-N 2.83Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.46Å; R215-L218 WeakPolarHBondContact O-CB 3.36Å; R215-L218 PolarHBondContact O-N 3.37Å; R215-H219 WeakPolarHBondContact O-CB 3.24Å; R215-H219 PolarHBondContact O-N 3.01Å
216	E	49.5	Very low	46.5	Very low	117 Å²	117	79.1 Å²	79.1	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-36.4	177.8	-74.6	174.8	-171.7	0	0	111.6	K212 V213 H219 G220	K212-E216 VanDerWaalsContact CE-OE1 3.25Å; K212-E216 WeakPolarHBondContact CE-OE1 3.08Å; K212-E216 PolarHBondContact O-N 3.23Å; V213-E216 PolarHBondContact O-N 2.8Å; E216-H219 PolarHBondContact O-N 3.41Å; E216-G220 PolarHBondContact O-N 3.5Å
217	I	44.8	Very low	46.2	Very low	18 Å²	18	82.1 Å²	82.1	9%	0.092	42%	0.416	C	S	.	.	H	α-helix	trans	-62.9	-49.1	170.4	-63.4	166.9	0	0	0	110.5	L168 I172 V213 I214 R215 H219 G220 S221 L225	L168-I217 HydrophobicContact CD2-CD1 3.36Å; L168-I217 HydrophobicContact CD2-CG1 3.32Å; L168-I217 HydrophobicContact CG-CD1 3.84Å; L168-I217 HydrophobicContact CG-CG1 4.34Å; I172-I217 HydrophobicContact CD1-CD1 4.33Å; V213-I217 HydrophobicContact CG1-CD1 4.2Å; V213-I217 VanDerWaalsContact O-CG1 3.28Å; V213-I217 WeakPolarHBondContact O-CG1 3.29Å; V213-I217 PolarHBondContact O-N 3.25Å; I214-I217 PolarHBondContact O-N 3.39Å; R215-I217 VanDerWaalsContact C-N 3.3Å; R215-I217 PolarHBondContact O-N 3.46Å; I217-H219 VanDerWaalsContact C-N 3.28Å; I217-H219 PolarHBondContact O-N 2.96Å; I217-G220 PolarHBondContact O-N 2.79Å; I217-S221 WeakPolarHBondContact O-CA 3.43Å; I217-S221 WeakPolarHBondContact O-CB 3.19Å; I217-S221 PolarHBondContact O-N 2.7Å; I217-S221 PolarHBondContact O-OG 2.89Å; I217-L225 HydrophobicContact CG2-CD1 4.41Å; I217-L225 HydrophobicContact CG2-CD2 3.95Å
218	L	46.5	Very low	45.5	Very low	4 Å²	4	82 Å²	82	2%	0.021	41%	0.412	C	S	.	.	H	α-helix	trans	-59	-39.5	178.9	-80.7	168.5	0	0	0	112.4	I214 R215 L225 L238 L241 V242	I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.5Å; I214-L218 PolarHBondContact O-N 2.77Å; R215-L218 WeakPolarHBondContact O-CB 3.36Å; R215-L218 PolarHBondContact O-N 3.37Å; L218-L225 HydrophobicContact CD2-CD1 4.06Å; L218-L238 HydrophobicContact CD1-CD2 3.87Å; L218-L238 HydrophobicContact CD2-CB 4.12Å; L218-L238 HydrophobicContact CD2-CD2 3.44Å; L218-L238 VanDerWaalsContact CD2-CD2 3.44Å; L218-L238 HydrophobicContact CD2-CG 4.3Å; L218-L238 HydrophobicContact CG-CD2 3.57Å; L218-L241 HydrophobicContact CD1-CB 3.62Å; L218-L241 HydrophobicContact CD1-CD1 3.82Å; L218-L241 HydrophobicContact CD1-CG 4.36Å; L218-V242 HydrophobicContact CD2-CG2 3.91Å
219	H	50.4	Low	45.2	Very low	157 Å²	157	88.4 Å²	88.4	73%	0.727	43%	0.429	S	S	*	.	H	α-helix	trans	-71.6	-38.4	-179.8	-135	67.8	0	0	0	112.4	R215 E216 I217	R215-H219 WeakPolarHBondContact O-CB 3.24Å; R215-H219 PolarHBondContact O-N 3.01Å; E216-H219 PolarHBondContact O-N 3.41Å; I217-H219 VanDerWaalsContact C-N 3.28Å; I217-H219 PolarHBondContact O-N 2.96Å
220	G	43.1	Very low	45.2	Very low	45 Å²	45	83.9 Å²	83.9	46%	0.464	41%	0.411	S	S	.	.	H	α-helix	trans	-83.1	-15.8	180	0	0	0	0	0	115.3	E216 I217	E216-G220 PolarHBondContact O-N 3.5Å; I217-G220 PolarHBondContact O-N 2.79Å
221	S	40.8	Very low	45.1	Very low	5 Å²	5	86.3 Å²	86.3	4%	0.035	43%	0.427	C	S	.	.	H	α-helix	trans	-133.8	14.3	-157.7	-32.8	0	0	0	0	115.5	I217 E223 Q224 L225	I217-S221 WeakPolarHBondContact O-CA 3.43Å; I217-S221 WeakPolarHBondContact O-CB 3.19Å; I217-S221 PolarHBondContact O-N 2.7Å; I217-S221 PolarHBondContact O-OG 2.89Å; S221-E223 PolarHBondContact O-N 3.42Å; S221-Q224 PolarHBondContact O-N 3.42Å; S221-L225 WeakPolarHBondContact O-CG 3.45Å; S221-L225 PolarHBondContact O-N 3.15Å
222	K	43.3	Very low	44.9	Very low	129 Å²	129	86.3 Å²	86.3	56%	0.561	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-35	-177.1	-98.7	-177.4	-179.4	175.8	0	113.7
223	E	40.7	Very low	44.4	Very low	183 Å²	183	88.3 Å²	88.3	86%	0.855	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-20.4	179.6	-65.4	179.7	168.1	0	0	114.1	S221	S221-E223 PolarHBondContact O-N 3.42Å
224	Q	38.7	Very low	44.4	Very low	89 Å²	89	89.9 Å²	89.9	42%	0.416	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-16.2	-173.6	-66.4	-177	-4.2	0	0	113.7	S221 A226 D227 F228	S221-Q224 PolarHBondContact O-N 3.42Å; Q224-A226 PolarHBondContact O-N 2.92Å; Q224-D227 PolarHBondContact O-N 3.47Å; Q224-F228 WeakPolarHBondContact O-CD2 3.11Å
225	L	39.9	Very low	44.6	Very low	26 Å²	26	92.9 Å²	92.9	14%	0.136	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-64.4	-16.2	171.9	-76.6	162.2	0	0	0	112.9	I217 L218 S221 D227 L230 L238	I217-L225 HydrophobicContact CG2-CD1 4.41Å; I217-L225 HydrophobicContact CG2-CD2 3.95Å; L218-L225 HydrophobicContact CD2-CD1 4.06Å; S221-L225 WeakPolarHBondContact O-CG 3.45Å; S221-L225 PolarHBondContact O-N 3.15Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.46Å; L225-L230 HydrophobicContact CD2-CD1 3.83Å; L225-L238 HydrophobicContact CD2-CD1 4.37Å
226	A	40	Very low	44.8	Very low	84 Å²	84	93.1 Å²	93.1	69%	0.694	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-66.5	-26.4	175.8	0	0	0	0	0	113.4	Q224	Q224-A226 PolarHBondContact O-N 2.92Å
227	D	42	Very low	44.8	Very low	149 Å²	149	88.4 Å²	88.4	80%	0.797	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-91.3	-10.8	-177.8	-70.7	-30.5	0	0	0	113.5	Q224 L225	Q224-D227 PolarHBondContact O-N 3.47Å; L225-D227 VanDerWaalsContact C-N 3.28Å; L225-D227 PolarHBondContact O-N 3.46Å
228	F	36.7	Very low	45	Very low	64 Å²	64	88.4 Å²	88.4	28%	0.281	45%	0.453	S	S	.	.	S	Bend	trans	-85.2	127.9	177.4	-78.6	-93.3	0	0	0	110.8	V165 Q224 L230	V165-F228 HydrophobicContact CB-CE2 4.4Å; V165-F228 HydrophobicContact CB-CZ 3.99Å; V165-F228 HydrophobicContact CG1-CD2 4.39Å; V165-F228 HydrophobicContact CG1-CE1 3.87Å; V165-F228 HydrophobicContact CG1-CE2 3.68Å; V165-F228 HydrophobicContact CG1-CZ 3.38Å; Q224-F228 WeakPolarHBondContact O-CD2 3.11Å; F228-L230 HydrophobicContact CB-CD1 4.32Å; F228-L230 HydrophobicContact CB-CD2 4.02Å; F228-L230 HydrophobicContact CB-CG 3.78Å; F228-L230 PolarHBondContact O-N 3.16Å
229	K	41.9	Very low	45.5	Very low	221 Å²	221	90.7 Å²	90.7	96%	0.961	47%	0.473	S	S	*	.			trans	-70.4	67.5	167.8	-71.6	-173.2	-179.4	178.7	0	110.6
230	L	47.9	Very low	45.8	Very low	30 Å²	30	87.9 Å²	87.9	16%	0.157	46%	0.46	C	S	.	.			trans	-72.6	143.7	176.4	-62.3	173.1	0	0	0	109.8	L225 F228 I234 L235 L238	L225-L230 HydrophobicContact CD2-CD1 3.83Å; F228-L230 HydrophobicContact CB-CD1 4.32Å; F228-L230 HydrophobicContact CB-CD2 4.02Å; F228-L230 HydrophobicContact CB-CG 3.78Å; F228-L230 PolarHBondContact O-N 3.16Å; L230-I234 HydrophobicContact CB-CB 4.44Å; L230-I234 HydrophobicContact CB-CG2 4.27Å; L230-I234 HydrophobicContact CD1-CG2 4.32Å; L230-I234 HydrophobicContact CD2-CG2 4.17Å; L230-I234 HydrophobicContact CG-CG2 4.49Å; L230-L235 HydrophobicContact CB-CD1 4.47Å; L230-L235 HydrophobicContact CB-CD2 3.95Å; L230-L235 HydrophobicContact CB-CG 3.84Å; L230-L235 HydrophobicContact CD1-CD2 3.95Å; L230-L238 HydrophobicContact CD1-CD1 3.61Å
231	T	46.2	Very low	46.2	Very low	77 Å²	77	87.6 Å²	87.6	47%	0.472	45%	0.448	S	S	.	.			trans	-61.9	146.6	175.1	66.8	0	0	0	0	109.8	R233 I234 L235	T231-R233 PolarHBondContact O-N 2.94Å; T231-I234 PolarHBondContact O-N 3.41Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.35Å; T231-I234 PolarHBondContact OG1-N 2.92Å; T231-L235 PolarHBondContact O-N 3.48Å
232	P	48.9	Very low	46.7	Very low	110 Å²	110	89.2 Å²	89.2	71%	0.714	46%	0.457	S	S	*	.	H	α-helix	trans	-52.7	-26.5	-179.3	-29.5	35.2	0	0	0	114.8	K236	P232-K236 WeakPolarHBondContact O-CB 3.49Å; P232-K236 PolarHBondContact O-N 3.3Å
233	R	43.4	Very low	47.6	Very low	155 Å²	155	88.8 Å²	88.8	59%	0.585	46%	0.457	S	S	*	.	H	α-helix	trans	-79	-36.3	176.4	-87.5	179.1	167.2	175.2	-7.3	113.8	V198 T231 L235 K236 A237	V198-R233 VanDerWaalsContact CG1-NH1 3.28Å; T231-R233 PolarHBondContact O-N 2.94Å; R233-L235 VanDerWaalsContact C-N 3.33Å; R233-K236 PolarHBondContact O-N 3.18Å; R233-A237 WeakPolarHBondContact O-CB 3.2Å; R233-A237 PolarHBondContact O-N 3.31Å
234	I	47.4	Very low	48.4	Very low	73 Å²	73	84.7 Å²	84.7	37%	0.374	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-43.6	171.2	-67.7	171	0	0	0	108.8	L230 T231 K236 A237 L238	L230-I234 HydrophobicContact CB-CB 4.44Å; L230-I234 HydrophobicContact CB-CG2 4.27Å; L230-I234 HydrophobicContact CD1-CG2 4.32Å; L230-I234 HydrophobicContact CD2-CG2 4.17Å; L230-I234 HydrophobicContact CG-CG2 4.49Å; T231-I234 PolarHBondContact O-N 3.41Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.35Å; T231-I234 PolarHBondContact OG1-N 2.92Å; I234-K236 VanDerWaalsContact C-N 3.31Å; I234-K236 PolarHBondContact O-N 2.99Å; I234-A237 PolarHBondContact O-N 2.81Å; I234-L238 HydrophobicContact CG2-CD1 3.72Å; I234-L238 HydrophobicContact CG2-CG 4.11Å; I234-L238 WeakPolarHBondContact O-CB 3.41Å; I234-L238 WeakPolarHBondContact O-CG 3.43Å; I234-L238 PolarHBondContact O-N 2.87Å
235	L	53	Low	49	Very low	87 Å²	87	83.4 Å²	83.4	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-57	-43.2	172.7	-70.1	170.5	0	0	0	112.2	L230 T231 R233 L238 A239	L230-L235 HydrophobicContact CB-CD1 4.47Å; L230-L235 HydrophobicContact CB-CD2 3.95Å; L230-L235 HydrophobicContact CB-CG 3.84Å; L230-L235 HydrophobicContact CD1-CD2 3.95Å; T231-L235 PolarHBondContact O-N 3.48Å; R233-L235 VanDerWaalsContact C-N 3.33Å; L235-L238 PolarHBondContact O-N 2.7Å; L235-A239 WeakPolarHBondContact O-CB 3.41Å; L235-A239 PolarHBondContact O-N 2.89Å
236	K	55.4	Low	49.8	Very low	133 Å²	133	87.4 Å²	87.4	58%	0.578	46%	0.457	S	S	*	.	H	α-helix	trans	-64.1	-43.5	175.5	-172.7	178.5	179.4	-179.9	0	112.8	P232 R233 I234 A239 Q240	P232-K236 WeakPolarHBondContact O-CB 3.49Å; P232-K236 PolarHBondContact O-N 3.3Å; R233-K236 PolarHBondContact O-N 3.18Å; I234-K236 VanDerWaalsContact C-N 3.31Å; I234-K236 PolarHBondContact O-N 2.99Å; K236-A239 PolarHBondContact O-N 2.84Å; K236-Q240 WeakPolarHBondContact O-CG 3.43Å; K236-Q240 PolarHBondContact O-N 2.87Å
237	A	49.8	Very low	50.7	Low	17 Å²	17	90.1 Å²	90.1	14%	0.14	46%	0.46	C	S	.	.	H	α-helix	trans	-66.8	-39.1	178.4	0	0	0	0	0	111.8	L205 R233 I234 Q240 L241	L205-A237 HydrophobicContact CD1-CB 4.27Å; L205-A237 HydrophobicContact CD2-CB 4.26Å; R233-A237 WeakPolarHBondContact O-CB 3.2Å; R233-A237 PolarHBondContact O-N 3.31Å; I234-A237 PolarHBondContact O-N 2.81Å; A237-Q240 PolarHBondContact O-N 2.71Å; A237-L241 WeakPolarHBondContact O-CG 3.4Å; A237-L241 PolarHBondContact O-N 2.9Å
238	L	49.3	Very low	50.8	Low	18 Å²	18	93.8 Å²	93.8	9%	0.094	47%	0.472	C	S	.	.	H	α-helix	trans	-63.6	-43.6	173	-68.3	170.9	0	0	0	111.1	I214 L218 L225 L230 I234 L235 Q240 L241 V242	I214-L238 HydrophobicContact CG2-CD2 3.85Å; L218-L238 HydrophobicContact CD1-CD2 3.87Å; L218-L238 HydrophobicContact CD2-CB 4.12Å; L218-L238 HydrophobicContact CD2-CD2 3.44Å; L218-L238 VanDerWaalsContact CD2-CD2 3.44Å; L218-L238 HydrophobicContact CD2-CG 4.3Å; L218-L238 HydrophobicContact CG-CD2 3.57Å; L225-L238 HydrophobicContact CD2-CD1 4.37Å; L230-L238 HydrophobicContact CD1-CD1 3.61Å; I234-L238 HydrophobicContact CG2-CD1 3.72Å; I234-L238 HydrophobicContact CG2-CG 4.11Å; I234-L238 WeakPolarHBondContact O-CB 3.41Å; I234-L238 WeakPolarHBondContact O-CG 3.43Å; I234-L238 PolarHBondContact O-N 2.87Å; L235-L238 PolarHBondContact O-N 2.7Å; L238-Q240 PolarHBondContact O-N 3.13Å; L238-L241 PolarHBondContact O-N 3.42Å; L238-V242 WeakPolarHBondContact O-CG2 3.39Å; L238-V242 PolarHBondContact O-N 2.73Å
239	A	57.5	Low	51.5	Low	52 Å²	52	95.3 Å²	95.3	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-43.4	176.1	0	0	0	0	0	112.2	L235 K236 L241 V242 E243	L235-A239 WeakPolarHBondContact O-CB 3.41Å; L235-A239 PolarHBondContact O-N 2.89Å; K236-A239 PolarHBondContact O-N 2.84Å; A239-L241 PolarHBondContact O-N 3.38Å; A239-V242 PolarHBondContact O-N 3.43Å; A239-E243 WeakPolarHBondContact O-CG 3.4Å; A239-E243 PolarHBondContact O-N 3.13Å
240	Q	57.1	Low	52	Low	98 Å²	98	88.7 Å²	88.7	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176	-74.3	179	-24.7	0	0	112.8	K236 A237 L238 E243 N244	K236-Q240 WeakPolarHBondContact O-CG 3.43Å; K236-Q240 PolarHBondContact O-N 2.87Å; A237-Q240 PolarHBondContact O-N 2.71Å; L238-Q240 PolarHBondContact O-N 3.13Å; Q240-E243 PolarHBondContact O-N 2.89Å; Q240-N244 PolarHBondContact O-N 2.79Å; Q240-N244 PolarHBondContact O-ND2 3.48Å
241	L	50.5	Low	52.2	Low	39 Å²	39	91.9 Å²	91.9	20%	0.204	47%	0.473	C	S	.	.	H	α-helix	trans	-68	-38.7	175.9	-76.4	168.2	0	0	0	111.9	I214 L218 A237 L238 A239 N244 E245	I214-L241 HydrophobicContact CG2-CD1 3.55Å; L218-L241 HydrophobicContact CD1-CB 3.62Å; L218-L241 HydrophobicContact CD1-CD1 3.82Å; L218-L241 HydrophobicContact CD1-CG 4.36Å; A237-L241 WeakPolarHBondContact O-CG 3.4Å; A237-L241 PolarHBondContact O-N 2.9Å; L238-L241 PolarHBondContact O-N 3.42Å; A239-L241 PolarHBondContact O-N 3.38Å; L241-N244 PolarHBondContact O-N 3.45Å; L241-E245 PolarHBondContact O-N 2.96Å
242	V	52.1	Low	52.6	Low	40 Å²	40	92.8 Å²	92.8	24%	0.242	47%	0.473	C	S	.	.	H	α-helix	trans	-66.6	-39.5	174.1	172.4	0	0	0	0	111.5	L218 L238 A239 N244 E245 N246	L218-V242 HydrophobicContact CD2-CG2 3.91Å; L238-V242 WeakPolarHBondContact O-CG2 3.39Å; L238-V242 PolarHBondContact O-N 2.73Å; A239-V242 PolarHBondContact O-N 3.43Å; V242-N244 VanDerWaalsContact C-N 3.31Å; V242-N244 PolarHBondContact O-N 2.74Å; V242-E245 PolarHBondContact O-N 3.24Å; V242-N246 PolarHBondContact O-N 3.44Å; V242-N246 VanDerWaalsContact O-N 3.08Å; V242-N246 PolarHBondContact O-ND2 2.94Å
243	E	62	Low	52.8	Low	120 Å²	120	91.8 Å²	91.8	56%	0.561	46%	0.458	S	S	*	.	H	α-helix	trans	-61.9	-38.5	172.8	-78.6	177.6	175.4	0	0	111.9	A239 Q240 N247	A239-E243 WeakPolarHBondContact O-CG 3.4Å; A239-E243 PolarHBondContact O-N 3.13Å; Q240-E243 PolarHBondContact O-N 2.89Å; E243-N247 WeakPolarHBondContact O-CB 3.31Å; E243-N247 VanDerWaalsContact O-CG 3.27Å; E243-N247 PolarHBondContact O-N 3.18Å; E243-N247 PolarHBondContact O-ND2 3.36Å
244	N	56.6	Low	53.5	Low	97 Å²	97	87.5 Å²	87.5	52%	0.519	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-40.7	176.9	-67.5	-22.9	0	0	0	112.2	Q240 L241 V242 N246 N247 E248	Q240-N244 PolarHBondContact O-N 2.79Å; Q240-N244 PolarHBondContact O-ND2 3.48Å; L241-N244 PolarHBondContact O-N 3.45Å; V242-N244 VanDerWaalsContact C-N 3.31Å; V242-N244 PolarHBondContact O-N 2.74Å; N244-N246 VanDerWaalsContact C-N 3.32Å; N244-N246 PolarHBondContact O-N 3.16Å; N244-N247 PolarHBondContact O-N 3.34Å; N244-E248 PolarHBondContact O-N 3.4Å
245	E	51.2	Low	53.9	Low	61 Å²	61	88.6 Å²	88.6	29%	0.285	46%	0.455	S	S	.	.	H	α-helix	trans	-68.8	-25.5	177.1	-79.8	-172.5	171.7	0	0	113.7	L241 V242	L241-E245 PolarHBondContact O-N 2.96Å; V242-E245 PolarHBondContact O-N 3.24Å
246	N	57.3	Low	54	Low	111 Å²	111	88.7 Å²	88.7	59%	0.594	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.5	176.3	-69	-27.4	0	0	0	113.2	V242 N244	V242-N246 PolarHBondContact O-N 3.44Å; V242-N246 VanDerWaalsContact O-N 3.08Å; V242-N246 PolarHBondContact O-ND2 2.94Å; N244-N246 VanDerWaalsContact C-N 3.32Å; N244-N246 PolarHBondContact O-N 3.16Å
247	N	59.2	Low	53.9	Low	140 Å²	140	85 Å²	85	75%	0.749	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-4.2	179.3	-72.8	-39.3	0	0	0	113.1	E243 N244	E243-N247 WeakPolarHBondContact O-CB 3.31Å; E243-N247 VanDerWaalsContact O-CG 3.27Å; E243-N247 PolarHBondContact O-N 3.18Å; E243-N247 PolarHBondContact O-ND2 3.36Å; N244-N247 PolarHBondContact O-N 3.34Å
248	E	43.7	Very low	54.2	Low	227 Å²	227	91.2 Å²	91.2	100%	1.061	47%	0.472	S	S	*	.			trans	-101.1	0	167.8	-75.5	-173.9	166.2	0	0	110.8	N244	N244-E248 PolarHBondContact O-N 3.4Å

Retrieved 248 of 248 residues in 65.8 ms (Link to these results)

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