A0A096N8J3_PAPAN Loading...

Calaxin

AlphaFold DB (A0A2K6M1B7), UniProt , Accession A0A096N8J3, Species PAPAN (Papio anubis, Olive baboon), Gene CLXN, Length 211 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	64.9	Low	78.9	Confident	125 Å²	125	104.1 Å²	104.1	62%	0.616	47%	0.47	S	S	*	.				0	139.8	0	175.3	170.6	45.2	0	0	110.8	K5 L6 I29 Y33	M1-K5 HydrophobicContact CG-CB 4.19Å; M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.36Å; M1-L6 HydrophobicContact CE-CD2 4.39Å; M1-L6 HydrophobicContact CE-CG 3.94Å; M1-L6 HydrophobicContact CG-CB 4.23Å; M1-L6 HydrophobicContact SD-CB 3.91Å; M1-L6 HydrophobicContact SD-CD1 4.45Å; M1-I29 HydrophobicContact CE-CG2 4.09Å; M1-Y33 HydrophobicContact CE-CD2 3.55Å; M1-Y33 HydrophobicContact CE-CE2 3.32Å; M1-Y33 HydrophobicContact SD-CE2 4.08Å
2	N	74.1	Confident	79.6	Confident	106 Å²	106	101.7 Å²	101.7	57%	0.567	47%	0.47	S	S	*	.			trans	-75.3	139.8	176.7	-177	-44.6	0	0	0	111.5	K4 K5 L6	N2-K4 VanDerWaalsContact C-N 3.26Å; N2-K4 PolarHBondContact O-N 3.16Å; N2-K4 VanDerWaalsContact O-N 3.12Å; N2-K4 PolarHBondContact OD1-N 3.06Å; N2-K4 VanDerWaalsContact OD1-N 3.09Å; N2-K5 PolarHBondContact O-N 2.96Å; N2-L6 PolarHBondContact O-N 3.03Å; N2-L6 VanDerWaalsContact O-N 3.1Å
3	R	76.5	Confident	80.1	Confident	217 Å²	217	94.1 Å²	94.1	82%	0.819	44%	0.435	S	S	*	.	H	α-helix	trans	-45.9	-40.4	-179.9	-169.1	174.9	-179.2	169.2	0.8	114.5	Q7	R3-Q7 WeakPolarHBondContact O-CB 3.48Å; R3-Q7 PolarHBondContact O-N 3.32Å
4	K	76.3	Confident	80.5	Confident	180 Å²	180	89.1 Å²	89.1	78%	0.783	42%	0.418	S	S	*	.	H	α-helix	trans	-67.7	-37.6	178.5	-71.3	-174.6	179.1	-179.3	0	113	N2 K8	N2-K4 VanDerWaalsContact C-N 3.26Å; N2-K4 PolarHBondContact O-N 3.16Å; N2-K4 VanDerWaalsContact O-N 3.12Å; N2-K4 PolarHBondContact OD1-N 3.06Å; N2-K4 VanDerWaalsContact OD1-N 3.09Å; K4-K8 PolarHBondContact O-N 3.19Å
5	K	78.6	Confident	80.8	Confident	160 Å²	160	94.8 Å²	94.8	70%	0.696	44%	0.441	S	S	*	.	H	α-helix	trans	-70.6	-42.9	177.1	-71.7	-172.7	177.3	-175.1	0	111.1	M1 N2 K8 L9	M1-K5 HydrophobicContact CG-CB 4.19Å; N2-K5 PolarHBondContact O-N 2.96Å; K5-K8 PolarHBondContact O-N 2.71Å; K5-L9 WeakPolarHBondContact O-CB 3.35Å; K5-L9 PolarHBondContact O-N 2.69Å
6	L	79.6	Confident	80.8	Confident	29 Å²	29	95.6 Å²	95.6	15%	0.152	45%	0.449	C	S	.	.	H	α-helix	trans	-57.6	-49.7	174.3	174.3	59.6	0	0	0	110.7	M1 N2 K8 L9 T10 I29	M1-L6 HydrophobicContact CE-CB 3.65Å; M1-L6 HydrophobicContact CE-CD1 3.36Å; M1-L6 HydrophobicContact CE-CD2 4.39Å; M1-L6 HydrophobicContact CE-CG 3.94Å; M1-L6 HydrophobicContact CG-CB 4.23Å; M1-L6 HydrophobicContact SD-CB 3.91Å; M1-L6 HydrophobicContact SD-CD1 4.45Å; N2-L6 PolarHBondContact O-N 3.03Å; N2-L6 VanDerWaalsContact O-N 3.1Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.45Å; L6-L9 PolarHBondContact O-N 3.25Å; L6-T10 PolarHBondContact O-N 2.71Å; L6-T10 PolarHBondContact O-OG1 3Å; L6-I29 HydrophobicContact CD1-CB 4.19Å; L6-I29 HydrophobicContact CD1-CG2 3.43Å; L6-I29 VanDerWaalsContact CD1-CG2 3.43Å
7	Q	80.2	Confident	81	Confident	78 Å²	78	90.9 Å²	90.9	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-57.5	-45.7	-179.8	-172	58.2	60	0	0	112.5	R3 T10 D11	R3-Q7 WeakPolarHBondContact O-CB 3.48Å; R3-Q7 PolarHBondContact O-N 3.32Å; Q7-T10 PolarHBondContact O-N 3.14Å; Q7-D11 PolarHBondContact NE2-OD1 3.43Å; Q7-D11 PolarHBondContact NE2-OD2 3.03Å; Q7-D11 WeakPolarHBondContact O-CB 3.18Å; Q7-D11 PolarHBondContact O-N 2.75Å
8	K	84.4	Confident	81.3	Confident	154 Å²	154	94.7 Å²	94.7	67%	0.67	44%	0.443	S	S	*	.	H	α-helix	trans	-63	-43.4	177.9	-172.7	179.8	179.5	-176.3	0	111.8	K4 K5 L6 D11 T12	K4-K8 PolarHBondContact O-N 3.19Å; K5-K8 PolarHBondContact O-N 2.71Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.45Å; K8-D11 PolarHBondContact O-N 3.17Å; K8-T12 PolarHBondContact O-N 3.22Å; K8-T12 PolarHBondContact O-OG1 3.42Å
9	L	83.3	Confident	81.9	Confident	41 Å²	41	92.6 Å²	92.6	22%	0.215	43%	0.434	C	S	.	.	H	α-helix	trans	-62.4	-47.6	177.4	178.6	62.5	0	0	0	111.2	K5 L6 D11 T12 L13 I29 Y33 V86	K5-L9 WeakPolarHBondContact O-CB 3.35Å; K5-L9 PolarHBondContact O-N 2.69Å; L6-L9 PolarHBondContact O-N 3.25Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-N 3.15Å; L9-L13 HydrophobicContact CD1-CD1 3.83Å; L9-L13 HydrophobicContact CD1-CG 4.32Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-I29 HydrophobicContact CD2-CD1 4.5Å; L9-I29 HydrophobicContact CD2-CG2 4.27Å; L9-I29 HydrophobicContact CG-CD1 4.27Å; L9-Y33 HydrophobicContact CD2-CE2 4.33Å; L9-V86 HydrophobicContact CD2-CG1 4.3Å
10	T	85	Confident	82.5	Confident	1 Å²	1	88.4 Å²	88.4	1%	0.006	41%	0.414	C	S	.	.	H	α-helix	trans	-57	-45.7	175.1	-55.5	0	0	0	0	111.3	L6 Q7 T12 L13 A14 K22 V25 N26 I29	L6-T10 PolarHBondContact O-N 2.71Å; L6-T10 PolarHBondContact O-OG1 3Å; Q7-T10 PolarHBondContact O-N 3.14Å; T10-T12 VanDerWaalsContact C-N 3.31Å; T10-T12 PolarHBondContact O-N 3.28Å; T10-L13 PolarHBondContact O-N 3.44Å; T10-A14 WeakPolarHBondContact O-CB 3.31Å; T10-A14 PolarHBondContact O-N 3.39Å; T10-K22 HydrophobicContact CG2-CG 3.93Å; T10-K22 WeakPolarHBondContact CG2-O 3.46Å; T10-V25 HydrophobicContact CG2-CB 4.47Å; T10-V25 HydrophobicContact CG2-CG1 4.15Å; T10-N26 HydrophobicContact CG2-CB 3.81Å; T10-I29 WeakPolarHBondContact OG1-CD1 3.09Å
11	D	84.9	Confident	83	Confident	54 Å²	54	88.2 Å²	88.2	29%	0.289	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-35.4	-179.4	-69.3	-25.7	0	0	0	112.6	Q7 K8 L9 K15 K22	Q7-D11 PolarHBondContact NE2-OD1 3.43Å; Q7-D11 PolarHBondContact NE2-OD2 3.03Å; Q7-D11 WeakPolarHBondContact O-CB 3.18Å; Q7-D11 PolarHBondContact O-N 2.75Å; K8-D11 PolarHBondContact O-N 3.17Å; L9-D11 VanDerWaalsContact C-N 3.32Å; L9-D11 PolarHBondContact O-N 3.47Å; D11-K15 WeakPolarHBondContact O-CD 3.38Å; D11-K15 VanDerWaalsContact O-CG 3.3Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; D11-K22 WeakPolarHBondContact OD1-CE 3.21Å; D11-K22 IonicContact OD1-NZ 3.34Å; D11-K22 PolarHBondContact OD1-NZ 2.93Å; D11-K22 IonicContact OD2-NZ 2.62Å
12	T	87.3	Confident	84.3	Confident	75 Å²	75	87.2 Å²	87.2	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-69.8	-46.4	174.8	-66.2	0	0	0	0	111.2	K8 L9 T10 K15	K8-T12 PolarHBondContact O-N 3.22Å; K8-T12 PolarHBondContact O-OG1 3.42Å; L9-T12 PolarHBondContact O-N 3.15Å; T10-T12 VanDerWaalsContact C-N 3.31Å; T10-T12 PolarHBondContact O-N 3.28Å; T12-K15 PolarHBondContact O-N 3.47Å
13	L	85.6	Confident	85.2	Confident	3 Å²	3	85.7 Å²	85.7	2%	0.016	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-43	-177	-85.2	170.9	0	0	0	113.1	L9 T10 K15 N16 C17 V25 I29 L87 I90	L9-L13 HydrophobicContact CD1-CD1 3.83Å; L9-L13 HydrophobicContact CD1-CG 4.32Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 PolarHBondContact O-N 3.35Å; T10-L13 PolarHBondContact O-N 3.44Å; L13-K15 PolarHBondContact O-N 3.43Å; L13-N16 PolarHBondContact O-N 2.92Å; L13-C17 WeakPolarHBondContact O-CB 3.39Å; L13-C17 PolarHBondContact O-N 3.18Å; L13-V25 HydrophobicContact CB-CG1 3.77Å; L13-I29 HydrophobicContact CD1-CD1 3.8Å; L13-I29 HydrophobicContact CD1-CG1 4.11Å; L13-L87 HydrophobicContact CD1-CD2 4Å; L13-L87 HydrophobicContact CD2-CB 4.43Å; L13-L87 HydrophobicContact CD2-CD2 3.25Å; L13-L87 HydrophobicContact CD2-CG 4.42Å; L13-L87 HydrophobicContact CG-CD2 3.77Å; L13-I90 HydrophobicContact CD1-CG1 4.24Å
14	A	85.8	Confident	86	Confident	24 Å²	24	76.3 Å²	76.3	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-23.4	178.8	0	0	0	0	0	113.2	T10 N16 K22 V25	T10-A14 WeakPolarHBondContact O-CB 3.31Å; T10-A14 PolarHBondContact O-N 3.39Å; A14-N16 VanDerWaalsContact C-N 3.34Å; A14-K22 HydrophobicContact CB-CB 4.14Å; A14-K22 HydrophobicContact CB-CG 4.46Å; A14-V25 HydrophobicContact CB-CB 4.37Å; A14-V25 HydrophobicContact CB-CG1 4.45Å; A14-V25 HydrophobicContact CB-CG2 4.2Å
15	K	86.2	Confident	86.9	Confident	175 Å²	175	67.8 Å²	67.8	76%	0.761	33%	0.325	S	S	*	.	H	α-helix	trans	-73.1	-26.6	174	-74.7	174.6	-178.2	-174.6	0	113.4	D11 T12 L13	D11-K15 WeakPolarHBondContact O-CD 3.38Å; D11-K15 VanDerWaalsContact O-CG 3.3Å; D11-K15 WeakPolarHBondContact O-CG 3.12Å; T12-K15 PolarHBondContact O-N 3.47Å; L13-K15 PolarHBondContact O-N 3.43Å
16	N	80.8	Confident	87.5	Confident	108 Å²	108	61.6 Å²	61.6	58%	0.578	30%	0.299	S	S	*	.	H	α-helix	trans	-104.8	-7.4	-176.1	-63.9	-22.6	0	0	0	112.5	L13 A14	L13-N16 PolarHBondContact O-N 2.92Å; A14-N16 VanDerWaalsContact C-N 3.34Å
17	C	83.1	Confident	88.2	Confident	16 Å²	16	61 Å²	61	11%	0.108	30%	0.297	C	S	.	.			trans	-86.5	128.8	177.8	-162	0	0	0	0	110.4	L13 F20 V25 I90	L13-C17 WeakPolarHBondContact O-CB 3.39Å; L13-C17 PolarHBondContact O-N 3.18Å; C17-F20 VanDerWaalsContact SG-CD2 3.55Å; C17-V25 HydrophobicContact CB-CG2 4.18Å; C17-I90 HydrophobicContact CB-CG2 4.45Å
18	K	86.1	Confident	88.9	Confident	158 Å²	158	57.3 Å²	57.3	69%	0.687	28%	0.28	S	S	*	.	S	Bend	trans	-80.5	-39.4	-177.5	-64.7	-177.6	-171	172	0	113.2	E103	K18-E103 VanDerWaalsContact CD-OE1 3.28Å; K18-E103 WeakPolarHBondContact CD-OE1 3.35Å; K18-E103 IonicContact NZ-OE1 2.78Å; K18-E103 PolarHBondContact NZ-OE1 3.19Å
19	H	93.5	Very high	89.2	Confident	55 Å²	55	50 Å²	50	26%	0.255	25%	0.248	S	C	.	.	S	Bend	trans	-112.3	-1.8	-164	-55	-55	0	0	0	115.2	S94 R98 E103	H19-S94 WeakPolarHBondContact CB-OG 3.32Å; H19-S94 PolarHBondContact CD2-O 2.86Å; H19-S94 VanDerWaalsContact CD2-O 3.29Å; H19-S94 PolarHBondContact CD2-OG 2.92Å; H19-S94 VanDerWaalsContact CD2-OG 3.23Å; H19-R98 HydrophobicContact CB-CB 3.62Å; H19-R98 WeakPolarHBondContact O-CD 3.48Å; H19-R98 PolarHBondContact O-NH1 2.98Å; H19-E103 IonicContact CD2-OE2 3.48Å; H19-E103 IonicContact CE1-OE2 3.52Å; H19-E103 PolarHBondContact CE1-OE2 2.92Å; H19-E103 IonicContact NE2-OE1 2.82Å; H19-E103 IonicContact NE2-OE2 3.57Å; H19-E103 PolarHBondContact NE2-OE2 2.84Å
20	F	94.3	Very high	89.5	Confident	9 Å²	9	53.6 Å²	53.6	4%	0.039	26%	0.262	C	S	.	.			trans	-121.8	136.7	179.9	-61	-47.7	0	0	0	111.4	C17 E24 V25 L28 L93 S94 L97 R98 F202	C17-F20 VanDerWaalsContact SG-CD2 3.55Å; F20-E24 VanDerWaalsContact CA-OE2 3.29Å; F20-E24 WeakPolarHBondContact CA-OE2 3.49Å; F20-E24 HydrophobicContact CB-CB 3.96Å; F20-E24 HydrophobicContact CD1-CB 4.25Å; F20-E24 HydrophobicContact CG-CB 4.35Å; F20-V25 HydrophobicContact CB-CG2 3.77Å; F20-L28 HydrophobicContact CD2-CD1 3.53Å; F20-L28 HydrophobicContact CE2-CD1 3.39Å; F20-L28 HydrophobicContact CG-CD1 4.26Å; F20-L28 HydrophobicContact CZ-CD1 4.05Å; F20-L93 HydrophobicContact CE2-CB 4.2Å; F20-L93 HydrophobicContact CZ-CB 4.47Å; F20-S94 VanDerWaalsContact CE2-N 3.33Å; F20-L97 HydrophobicContact CE1-CD1 4.49Å; F20-L97 HydrophobicContact CZ-CB 4.31Å; F20-L97 HydrophobicContact CZ-CD1 4Å; F20-R98 HydrophobicContact CE1-CG 4.26Å; F20-F202 HydrophobicContact CD1-CE2 4.35Å; F20-F202 HydrophobicContact CD1-CZ 4.13Å; F20-F202 AromaticContact CE1-CE2 3.99Å; F20-F202 HydrophobicContact CE1-CE2 3.99Å; F20-F202 AromaticContact CE1-CZ 3.88Å; F20-F202 HydrophobicContact CE1-CZ 3.88Å; F20-F202 HydrophobicContact CZ-CZ 4.39Å
21	N	92.8	Very high	89.9	Confident	85 Å²	85	55.6 Å²	55.6	46%	0.455	27%	0.273	S	S	.	.			trans	-77.2	172.3	170.8	72.2	51.2	0	0	0	111	F23 E24 V25	N21-F23 VanDerWaalsContact C-N 3.29Å; N21-F23 PolarHBondContact O-N 3.5Å; N21-F23 WeakPolarHBondContact OD1-CA 3.47Å; N21-F23 VanDerWaalsContact OD1-CB 3.31Å; N21-F23 WeakPolarHBondContact OD1-CB 3.34Å; N21-F23 PolarHBondContact OD1-N 3.43Å; N21-E24 VanDerWaalsContact CG-OE2 3.31Å; N21-E24 PolarHBondContact N-OE2 2.97Å; N21-E24 VanDerWaalsContact ND2-CD 3.31Å; N21-E24 PolarHBondContact ND2-OE2 3.31Å; N21-E24 VanDerWaalsContact ND2-OE2 3.15Å; N21-E24 PolarHBondContact O-N 3.01Å; N21-E24 PolarHBondContact OD1-N 2.91Å; N21-V25 WeakPolarHBondContact O-CG2 3.34Å; N21-V25 PolarHBondContact O-N 3.09Å
22	K	92.1	Very high	90.3	Very high	103 Å²	103	53 Å²	53	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-34.2	-177.6	179.4	173.6	166	168.7	0	114	T10 D11 A14 N26	T10-K22 HydrophobicContact CG2-CG 3.93Å; T10-K22 WeakPolarHBondContact CG2-O 3.46Å; D11-K22 WeakPolarHBondContact OD1-CE 3.21Å; D11-K22 IonicContact OD1-NZ 3.34Å; D11-K22 PolarHBondContact OD1-NZ 2.93Å; D11-K22 IonicContact OD2-NZ 2.62Å; A14-K22 HydrophobicContact CB-CB 4.14Å; A14-K22 HydrophobicContact CB-CG 4.46Å; K22-N26 WeakPolarHBondContact O-CB 3.19Å; K22-N26 PolarHBondContact O-N 2.97Å
23	F	92.2	Very high	90.3	Very high	75 Å²	75	53 Å²	53	33%	0.329	25%	0.251	S	S	.	.	H	α-helix	trans	-69.2	-47.3	177.3	166.7	-95.2	0	0	0	110.7	N21 V25 N26 C27 D204	N21-F23 VanDerWaalsContact C-N 3.29Å; N21-F23 PolarHBondContact O-N 3.5Å; N21-F23 WeakPolarHBondContact OD1-CA 3.47Å; N21-F23 VanDerWaalsContact OD1-CB 3.31Å; N21-F23 WeakPolarHBondContact OD1-CB 3.34Å; N21-F23 PolarHBondContact OD1-N 3.43Å; F23-V25 PolarHBondContact O-N 3.2Å; F23-N26 WeakPolarHBondContact O-CB 3.19Å; F23-N26 PolarHBondContact O-N 3.45Å; F23-N26 VanDerWaalsContact O-N 3.1Å; F23-C27 VanDerWaalsContact CZ-SG 3.6Å; F23-C27 PolarHBondContact O-N 3.28Å; F23-C27 PolarHBondContact O-SG 3.05Å; F23-D204 HydrophobicContact CZ-CB 4.24Å
24	E	94.7	Very high	90.4	Very high	20 Å²	20	56.9 Å²	56.9	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-46.1	178.5	-67.5	169.3	143.7	0	0	111.3	F20 N21 N26 C27 L28 R98 F202	F20-E24 VanDerWaalsContact CA-OE2 3.29Å; F20-E24 WeakPolarHBondContact CA-OE2 3.49Å; F20-E24 HydrophobicContact CB-CB 3.96Å; F20-E24 HydrophobicContact CD1-CB 4.25Å; F20-E24 HydrophobicContact CG-CB 4.35Å; N21-E24 VanDerWaalsContact CG-OE2 3.31Å; N21-E24 PolarHBondContact N-OE2 2.97Å; N21-E24 VanDerWaalsContact ND2-CD 3.31Å; N21-E24 PolarHBondContact ND2-OE2 3.31Å; N21-E24 VanDerWaalsContact ND2-OE2 3.15Å; N21-E24 PolarHBondContact O-N 3.01Å; N21-E24 PolarHBondContact OD1-N 2.91Å; E24-N26 VanDerWaalsContact C-N 3.25Å; E24-N26 PolarHBondContact O-N 3.34Å; E24-C27 WeakPolarHBondContact O-CA 3.42Å; E24-C27 WeakPolarHBondContact O-CB 3.33Å; E24-C27 PolarHBondContact O-N 2.97Å; E24-L28 WeakPolarHBondContact O-CG 3.19Å; E24-L28 PolarHBondContact O-N 2.85Å; E24-R98 IonicContact OE1-CZ 3.21Å; E24-R98 IonicContact OE1-NH1 3.91Å; E24-R98 PolarHBondContact OE1-NH1 3.44Å; E24-R98 IonicContact OE1-NH2 2.82Å; E24-R98 PolarHBondContact OE1-NH2 3.35Å; E24-R98 IonicContact OE2-NH1 2.81Å; E24-R98 PolarHBondContact OE2-NH1 3.4Å; E24-F202 HydrophobicContact CB-CD1 4.03Å; E24-F202 HydrophobicContact CB-CE1 3.79Å; E24-F202 HydrophobicContact CB-CZ 4.09Å; E24-F202 HydrophobicContact CG-CD1 3.97Å; E24-F202 HydrophobicContact CG-CD2 4.25Å; E24-F202 HydrophobicContact CG-CE1 4.15Å; E24-F202 HydrophobicContact CG-CE2 4.41Å; E24-F202 HydrophobicContact CG-CG 4.03Å; E24-F202 HydrophobicContact CG-CZ 4.37Å
25	V	94.1	Very high	90.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-41.5	174.3	171.5	0	0	0	0	111.1	T10 L13 A14 C17 F20 N21 F23 L28 I29 I90	T10-V25 HydrophobicContact CG2-CB 4.47Å; T10-V25 HydrophobicContact CG2-CG1 4.15Å; L13-V25 HydrophobicContact CB-CG1 3.77Å; A14-V25 HydrophobicContact CB-CB 4.37Å; A14-V25 HydrophobicContact CB-CG1 4.45Å; A14-V25 HydrophobicContact CB-CG2 4.2Å; C17-V25 HydrophobicContact CB-CG2 4.18Å; F20-V25 HydrophobicContact CB-CG2 3.77Å; N21-V25 WeakPolarHBondContact O-CG2 3.34Å; N21-V25 PolarHBondContact O-N 3.09Å; F23-V25 PolarHBondContact O-N 3.2Å; V25-L28 PolarHBondContact O-N 2.75Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.39Å; V25-I29 WeakPolarHBondContact O-CD1 3.39Å; V25-I29 WeakPolarHBondContact O-CG1 3.35Å; V25-I29 PolarHBondContact O-N 3.3Å; V25-I90 HydrophobicContact CG1-CD1 4.44Å
26	N	91.7	Very high	90.4	Very high	30 Å²	30	50 Å²	50	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-38.7	176	-179.2	64	0	0	0	112.7	T10 K22 F23 E24 K30	T10-N26 HydrophobicContact CG2-CB 3.81Å; K22-N26 WeakPolarHBondContact O-CB 3.19Å; K22-N26 PolarHBondContact O-N 2.97Å; F23-N26 WeakPolarHBondContact O-CB 3.19Å; F23-N26 PolarHBondContact O-N 3.45Å; F23-N26 VanDerWaalsContact O-N 3.1Å; E24-N26 VanDerWaalsContact C-N 3.25Å; E24-N26 PolarHBondContact O-N 3.34Å; N26-K30 WeakPolarHBondContact ND2-CE 3.48Å; N26-K30 PolarHBondContact ND2-NZ 2.7Å; N26-K30 VanDerWaalsContact O-CG 3.31Å; N26-K30 WeakPolarHBondContact O-CG 3.39Å; N26-K30 PolarHBondContact O-N 3.44Å; N26-K30 VanDerWaalsContact O-N 3.08Å
27	C	93.9	Very high	89.9	Confident	17 Å²	17	47.2 Å²	47.2	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-45.3	174.5	-68.3	0	0	0	0	111.4	F23 E24 I29 K30 L31 V201 F202	F23-C27 VanDerWaalsContact CZ-SG 3.6Å; F23-C27 PolarHBondContact O-N 3.28Å; F23-C27 PolarHBondContact O-SG 3.05Å; E24-C27 WeakPolarHBondContact O-CA 3.42Å; E24-C27 WeakPolarHBondContact O-CB 3.33Å; E24-C27 PolarHBondContact O-N 2.97Å; C27-I29 PolarHBondContact O-N 2.85Å; C27-K30 PolarHBondContact O-N 2.9Å; C27-L31 WeakPolarHBondContact O-CB 3.26Å; C27-L31 PolarHBondContact O-N 2.8Å; C27-V201 HydrophobicContact CB-CG1 4.26Å; C27-V201 WeakPolarHBondContact CB-O 3.4Å; C27-F202 HydrophobicContact CB-CD1 4.01Å; C27-F202 HydrophobicContact CB-CE1 4.34Å
28	L	94.4	Very high	88.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.2	-65.2	-177.6	0	0	0	112.8	F20 E24 V25 L31 F32 W89 I90 L93 F197 V201 F202	F20-L28 HydrophobicContact CD2-CD1 3.53Å; F20-L28 HydrophobicContact CE2-CD1 3.39Å; F20-L28 HydrophobicContact CG-CD1 4.26Å; F20-L28 HydrophobicContact CZ-CD1 4.05Å; E24-L28 WeakPolarHBondContact O-CG 3.19Å; E24-L28 PolarHBondContact O-N 2.85Å; V25-L28 PolarHBondContact O-N 2.75Å; L28-L31 PolarHBondContact O-N 2.94Å; L28-F32 WeakPolarHBondContact O-CB 2.83Å; L28-F32 PolarHBondContact O-N 3.01Å; L28-W89 PolarHBondContact O-NE1 3.08Å; L28-I90 HydrophobicContact CB-CD1 3.17Å; L28-I90 HydrophobicContact CD1-CD1 3.7Å; L28-I90 HydrophobicContact CG-CD1 4.06Å; L28-L93 HydrophobicContact CD1-CB 4.43Å; L28-L93 HydrophobicContact CD1-CD1 4.29Å; L28-L93 HydrophobicContact CD2-CD1 3.72Å; L28-F197 HydrophobicContact CD2-CE1 4.04Å; L28-F197 HydrophobicContact CD2-CZ 4.23Å; L28-V201 HydrophobicContact CD2-CG1 3.96Å; L28-F202 HydrophobicContact CD1-CE1 4.42Å; L28-F202 HydrophobicContact CD1-CZ 4.25Å; L28-F202 HydrophobicContact CD2-CE1 3.63Å; L28-F202 HydrophobicContact CD2-CZ 3.79Å; L28-F202 HydrophobicContact CG-CE1 3.75Å; L28-F202 HydrophobicContact CG-CZ 4.02Å
29	I	91.5	Very high	87.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-44	174.9	-69.3	164.3	0	0	0	110.4	M1 L6 L9 T10 L13 V25 C27 L31 F32 Y33 V86 I90	M1-I29 HydrophobicContact CE-CG2 4.09Å; L6-I29 HydrophobicContact CD1-CB 4.19Å; L6-I29 HydrophobicContact CD1-CG2 3.43Å; L6-I29 VanDerWaalsContact CD1-CG2 3.43Å; L9-I29 HydrophobicContact CD2-CD1 4.5Å; L9-I29 HydrophobicContact CD2-CG2 4.27Å; L9-I29 HydrophobicContact CG-CD1 4.27Å; T10-I29 WeakPolarHBondContact OG1-CD1 3.09Å; L13-I29 HydrophobicContact CD1-CD1 3.8Å; L13-I29 HydrophobicContact CD1-CG1 4.11Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.39Å; V25-I29 WeakPolarHBondContact O-CD1 3.39Å; V25-I29 WeakPolarHBondContact O-CG1 3.35Å; V25-I29 PolarHBondContact O-N 3.3Å; C27-I29 PolarHBondContact O-N 2.85Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-F32 PolarHBondContact O-N 2.94Å; I29-Y33 HydrophobicContact CG2-CD2 3.69Å; I29-Y33 HydrophobicContact CG2-CE2 3.55Å; I29-Y33 WeakPolarHBondContact O-CD2 3.45Å; I29-Y33 PolarHBondContact O-N 3.37Å; I29-Y33 VanDerWaalsContact O-N 3.12Å; I29-V86 HydrophobicContact CG1-CG2 4.04Å; I29-V86 HydrophobicContact CG2-CG2 4.37Å; I29-I90 HydrophobicContact CG1-CD1 4.17Å; I29-I90 HydrophobicContact CG1-CG1 4.5Å
30	K	90.3	Very high	85.3	Confident	117 Å²	117	50.8 Å²	50.8	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177	-73.6	171.2	179.5	177.4	0	111.6	N26 C27 Y33 S34	N26-K30 WeakPolarHBondContact ND2-CE 3.48Å; N26-K30 PolarHBondContact ND2-NZ 2.7Å; N26-K30 VanDerWaalsContact O-CG 3.31Å; N26-K30 WeakPolarHBondContact O-CG 3.39Å; N26-K30 PolarHBondContact O-N 3.44Å; N26-K30 VanDerWaalsContact O-N 3.08Å; C27-K30 PolarHBondContact O-N 2.9Å; K30-Y33 PolarHBondContact O-N 2.88Å; K30-S34 WeakPolarHBondContact O-CB 2.97Å; K30-S34 PolarHBondContact O-N 3.39Å
31	L	92.4	Very high	83.3	Confident	43 Å²	43	61.6 Å²	61.6	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-49.5	176	176.8	59.8	0	0	0	110.8	C27 L28 I29 Y33 S34 L35 W89 F197 V201	C27-L31 WeakPolarHBondContact O-CB 3.26Å; C27-L31 PolarHBondContact O-N 2.8Å; L28-L31 PolarHBondContact O-N 2.94Å; I29-L31 VanDerWaalsContact C-N 3.35Å; L31-Y33 PolarHBondContact O-N 3.13Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å; L31-S34 PolarHBondContact O-N 2.76Å; L31-S34 VanDerWaalsContact O-N 3.07Å; L31-L35 HydrophobicContact CD1-CD1 3.92Å; L31-L35 HydrophobicContact CD1-CG 4.08Å; L31-L35 HydrophobicContact CG-CD1 3.85Å; L31-L35 HydrophobicContact CG-CG 4.44Å; L31-L35 WeakPolarHBondContact O-CG 3.18Å; L31-L35 PolarHBondContact O-N 2.99Å; L31-W89 HydrophobicContact CD2-CZ2 3.9Å; L31-W89 HydrophobicContact CG-CZ2 4.17Å; L31-F197 HydrophobicContact CD2-CE2 3.8Å; L31-F197 HydrophobicContact CD2-CZ 3.62Å; L31-V201 HydrophobicContact CD2-CG1 3.95Å; L31-V201 HydrophobicContact CD2-CG2 3.73Å
32	F	92.5	Very high	81.3	Confident	1 Å²	1	67 Å²	67	0%	0.004	34%	0.343	C	S	.	.	H	α-helix	trans	-52.4	-52.3	177.3	177.8	-94.4	0	0	0	112.1	L28 I29 S34 L35 V36 L48 V84 V86 W89	L28-F32 WeakPolarHBondContact O-CB 2.83Å; L28-F32 PolarHBondContact O-N 3.01Å; I29-F32 PolarHBondContact O-N 2.94Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.26Å; F32-L35 PolarHBondContact O-N 3.03Å; F32-L35 VanDerWaalsContact O-N 3.15Å; F32-V36 HydrophobicContact CD1-CG2 4.17Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.75Å; F32-V36 HydrophobicContact CE2-CG2 4.11Å; F32-V36 HydrophobicContact CZ-CG2 3.73Å; F32-V36 WeakPolarHBondContact O-CG2 3.2Å; F32-V36 PolarHBondContact O-N 2.85Å; F32-L48 HydrophobicContact CD2-CD1 3.99Å; F32-L48 HydrophobicContact CD2-CG 4.33Å; F32-L48 HydrophobicContact CE2-CD1 3.96Å; F32-L48 HydrophobicContact CE2-CG 3.92Å; F32-V84 VanDerWaalsContact CE2-O 3.31Å; F32-V84 WeakPolarHBondContact CE2-O 3.05Å; F32-V86 HydrophobicContact CB-CG2 4.4Å; F32-V86 HydrophobicContact CD1-CB 3.78Å; F32-V86 HydrophobicContact CD1-CG2 3.83Å; F32-V86 HydrophobicContact CE1-CB 3.72Å; F32-V86 HydrophobicContact CE1-CG2 4.31Å; F32-V86 HydrophobicContact CG-CB 4.26Å; F32-V86 HydrophobicContact CG-CG2 4.09Å; F32-V86 HydrophobicContact CZ-CB 4.14Å; F32-W89 HydrophobicContact CB-CG 4.24Å; F32-W89 HydrophobicContact CD2-CB 3.69Å; F32-W89 AromaticContact CD2-CD2 3.99Å; F32-W89 HydrophobicContact CD2-CD2 3.99Å; F32-W89 HydrophobicContact CD2-CE3 4.5Å; F32-W89 AromaticContact CD2-CG 3.62Å; F32-W89 HydrophobicContact CD2-CG 3.62Å; F32-W89 HydrophobicContact CE2-CB 4.07Å; F32-W89 HydrophobicContact CE2-CG 4.44Å; F32-W89 HydrophobicContact CG-CG 4.31Å
33	Y	87.9	Confident	79.3	Confident	74 Å²	74	65.3 Å²	65.3	29%	0.29	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-26.9	179.8	-74.3	-66.6	0	0	0	113.6	M1 L9 I29 K30 L31 G37 I46	M1-Y33 HydrophobicContact CE-CD2 3.55Å; M1-Y33 HydrophobicContact CE-CE2 3.32Å; M1-Y33 HydrophobicContact SD-CE2 4.08Å; L9-Y33 HydrophobicContact CD2-CE2 4.33Å; I29-Y33 HydrophobicContact CG2-CD2 3.69Å; I29-Y33 HydrophobicContact CG2-CE2 3.55Å; I29-Y33 WeakPolarHBondContact O-CD2 3.45Å; I29-Y33 PolarHBondContact O-N 3.37Å; I29-Y33 VanDerWaalsContact O-N 3.12Å; K30-Y33 PolarHBondContact O-N 2.88Å; L31-Y33 PolarHBondContact O-N 3.13Å; Y33-G37 PolarHBondContact O-N 2.94Å; Y33-I46 HydrophobicContact CD1-CG2 4.47Å; Y33-I46 HydrophobicContact CE1-CG2 3.84Å
34	S	87.6	Confident	77.7	Confident	84 Å²	84	70.1 Å²	70.1	59%	0.587	38%	0.384	S	S	*	.	H	α-helix	trans	-67.4	-38.9	171.2	-171.5	0	0	0	0	111.5	K30 L31 F32 A38	K30-S34 WeakPolarHBondContact O-CB 2.97Å; K30-S34 PolarHBondContact O-N 3.39Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å; L31-S34 PolarHBondContact O-N 2.76Å; L31-S34 VanDerWaalsContact O-N 3.07Å; F32-S34 VanDerWaalsContact C-N 3.3Å; F32-S34 PolarHBondContact O-N 3.26Å; S34-A38 PolarHBondContact O-N 2.85Å
35	L	87.4	Confident	75.8	Confident	48 Å²	48	73.6 Å²	73.6	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-70.4	-48.3	177.8	-67.1	166.4	0	0	0	110.9	L31 F32 G37 A38 V39 L48 I56 W89	L31-L35 HydrophobicContact CD1-CD1 3.92Å; L31-L35 HydrophobicContact CD1-CG 4.08Å; L31-L35 HydrophobicContact CG-CD1 3.85Å; L31-L35 HydrophobicContact CG-CG 4.44Å; L31-L35 WeakPolarHBondContact O-CG 3.18Å; L31-L35 PolarHBondContact O-N 2.99Å; F32-L35 PolarHBondContact O-N 3.03Å; F32-L35 VanDerWaalsContact O-N 3.15Å; L35-G37 PolarHBondContact O-N 3.07Å; L35-A38 PolarHBondContact O-N 3.41Å; L35-V39 WeakPolarHBondContact O-CG2 3.31Å; L35-L48 HydrophobicContact CB-CD2 3.98Å; L35-I56 HydrophobicContact CB-CD1 4.48Å; L35-I56 HydrophobicContact CD1-CD1 3.8Å; L35-I56 HydrophobicContact CD1-CG1 4.41Å; L35-I56 HydrophobicContact CD2-CD1 4.32Å; L35-I56 HydrophobicContact CD2-CG1 4.36Å; L35-I56 HydrophobicContact CG-CD1 4.43Å; L35-W89 HydrophobicContact CD1-CH2 3.86Å; L35-W89 HydrophobicContact CD1-CZ2 4.02Å
36	V	85.4	Confident	74.8	Confident	8 Å²	8	78.8 Å²	78.8	5%	0.048	43%	0.433	C	S	.	.	H	α-helix	trans	-62.9	-42.1	176.5	175.7	0	0	0	0	111.6	F32 A38 V39 E40 I46 L48	F32-V36 HydrophobicContact CD1-CG2 4.17Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.75Å; F32-V36 HydrophobicContact CE2-CG2 4.11Å; F32-V36 HydrophobicContact CZ-CG2 3.73Å; F32-V36 WeakPolarHBondContact O-CG2 3.2Å; F32-V36 PolarHBondContact O-N 2.85Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.05Å; V36-V39 WeakPolarHBondContact O-CA 3.35Å; V36-V39 PolarHBondContact O-N 2.96Å; V36-E40 PolarHBondContact O-N 3.07Å; V36-I46 HydrophobicContact CG1-CG2 4.47Å; V36-L48 HydrophobicContact CG2-CD2 3.72Å; V36-L48 HydrophobicContact CG2-CG 3.98Å
37	G	69.9	Low	74.5	Confident	48 Å²	48	77.9 Å²	77.9	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-22.8	179.1	0	0	0	0	0	114.3	Y33 L35 V39	Y33-G37 PolarHBondContact O-N 2.94Å; L35-G37 PolarHBondContact O-N 3.07Å; G37-V39 VanDerWaalsContact C-N 3.27Å
38	A	58.5	Low	74.4	Confident	88 Å²	88	77.1 Å²	77.1	73%	0.727	43%	0.426	S	S	*	.	H	α-helix	trans	-74.5	-18.7	169.4	0	0	0	0	0	112.9	S34 L35 V36	S34-A38 PolarHBondContact O-N 2.85Å; L35-A38 PolarHBondContact O-N 3.41Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.05Å
39	V	55.3	Low	74.3	Confident	74 Å²	74	80.2 Å²	80.2	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-104.9	-8.9	-171.8	179.8	0	0	0	0	112.7	L35 V36 G37 R41 A52	L35-V39 WeakPolarHBondContact O-CG2 3.31Å; V36-V39 WeakPolarHBondContact O-CA 3.35Å; V36-V39 PolarHBondContact O-N 2.96Å; G37-V39 VanDerWaalsContact C-N 3.27Å; V39-R41 PolarHBondContact O-N 3.37Å; V39-A52 HydrophobicContact CG1-CB 4.41Å; V39-A52 HydrophobicContact CG2-CB 4.26Å
40	E	52.8	Low	74.3	Confident	143 Å²	143	84.5 Å²	84.5	67%	0.668	46%	0.458	S	S	*	.			trans	-62.3	102.6	-178.4	-98.5	-174.4	169.6	0	0	113.4	V36	V36-E40 PolarHBondContact O-N 3.07Å
41	R	52	Low	74.4	Confident	236 Å²	236	84.6 Å²	84.6	89%	0.891	46%	0.464	S	S	*	.			trans	-118.5	111.9	152.3	-71.5	-173.8	-178.5	177.7	2.7	108.1	V39	V39-R41 PolarHBondContact O-N 3.37Å
42	Q	50.3	Low	74.4	Confident	197 Å²	197	83.3 Å²	83.3	92%	0.921	46%	0.46	S	S	*	.	S	Bend	trans	59.4	85.3	164.5	-70	170.1	-23.4	0	0	117
43	G	51.3	Low	74.5	Confident	69 Å²	69	83.4 Å²	83.4	71%	0.711	46%	0.46	S	S	*	.	S	Bend	trans	61	106.8	136.6	0	0	0	0	0	119.3
44	L	58.7	Low	74.8	Confident	176 Å²	176	82.4 Å²	82.4	92%	0.921	46%	0.456	S	S	*	.	S	Bend	trans	76.8	73.4	168.5	-86.3	84.5	0	0	0	116.9
45	V	53.3	Low	75.1	Confident	93 Å²	93	83.1 Å²	83.1	56%	0.564	45%	0.453	S	S	*	.				-157.1	129.9	115.8	178.2	0	0	0	0	106	G47 C83	V45-G47 PolarHBondContact O-N 3.36Å; V45-C83 HydrophobicContact CG1-CB 3.92Å
46	I	73.6	Confident	75.4	Confident	109 Å²	109	81.4 Å²	81.4	56%	0.559	45%	0.445	S	S	*	.			trans	-93.7	73.7	175.6	-53.2	176.6	0	0	0	107.5	Y33 V36	Y33-I46 HydrophobicContact CD1-CG2 4.47Å; Y33-I46 HydrophobicContact CE1-CG2 3.84Å; V36-I46 HydrophobicContact CG1-CG2 4.47Å
47	G	86.3	Confident	75.9	Confident	11 Å²	11	81.1 Å²	81.1	11%	0.113	44%	0.443	C	S	.	.	S	Bend	trans	-156.9	162.5	-174.3	0	0	0	0	0	111.5	V45 V84	V45-G47 PolarHBondContact O-N 3.36Å; G47-V84 WeakPolarHBondContact CA-O 3.5Å
48	L	91.7	Very high	77.1	Confident	1 Å²	1	83.1 Å²	83.1	1%	0.005	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	111.1	171.2	-63.6	168.2	0	0	0	108	F32 L35 V36 A52 F53 I56 C83 V84 W89	F32-L48 HydrophobicContact CD2-CD1 3.99Å; F32-L48 HydrophobicContact CD2-CG 4.33Å; F32-L48 HydrophobicContact CE2-CD1 3.96Å; F32-L48 HydrophobicContact CE2-CG 3.92Å; L35-L48 HydrophobicContact CB-CD2 3.98Å; V36-L48 HydrophobicContact CG2-CD2 3.72Å; V36-L48 HydrophobicContact CG2-CG 3.98Å; L48-A52 HydrophobicContact CD2-CB 4.36Å; L48-F53 HydrophobicContact CB-CB 4.37Å; L48-F53 HydrophobicContact CD1-CD2 4.22Å; L48-I56 HydrophobicContact CD1-CD1 3.75Å; L48-I56 HydrophobicContact CD2-CD1 4.09Å; L48-C83 CarbonylContact O-C 3.52Å; L48-C83 WeakPolarHBondContact O-CA 3.26Å; L48-V84 HydrophobicContact CB-CB 4.32Å; L48-V84 PolarHBondContact N-O 3.09Å; L48-V84 PolarHBondContact O-N 3.36Å; L48-W89 HydrophobicContact CD1-CE3 3.76Å; L48-W89 HydrophobicContact CD1-CZ3 3.85Å
49	D	91.7	Very high	78.7	Confident	65 Å²	65	84 Å²	84	35%	0.348	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	169.2	172.2	76.1	28.9	0	0	0	111.3	N51 A52 F53	D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 3.45Å; D49-N51 WeakPolarHBondContact OD1-CA 3.17Å; D49-N51 PolarHBondContact OD1-N 3.46Å; D49-A52 PolarHBondContact O-N 3.09Å; D49-A52 PolarHBondContact OD1-N 3.08Å; D49-F53 WeakPolarHBondContact O-CB 3.34Å; D49-F53 PolarHBondContact O-N 3.36Å
50	R	92.4	Very high	80.4	Confident	90 Å²	90	82.7 Å²	82.7	34%	0.34	43%	0.427	S	S	.	.	H	α-helix	trans	-53.4	-39.6	-178.7	-173.3	175.1	-66.5	-153.1	4.7	113.7	R54 D70 F73	R50-R54 VanDerWaalsContact O-CB 3.31Å; R50-R54 WeakPolarHBondContact O-CB 3.25Å; R50-R54 WeakPolarHBondContact O-CG 3.33Å; R50-R54 PolarHBondContact O-N 3.05Å; R50-D70 WeakPolarHBondContact CD-OD1 3.38Å; R50-D70 IonicContact CZ-OD1 3.12Å; R50-D70 IonicContact NE-OD1 2.71Å; R50-D70 VanDerWaalsContact NH1-CG 3.26Å; R50-D70 IonicContact NH1-OD1 3.87Å; R50-D70 PolarHBondContact NH1-OD1 3.21Å; R50-D70 IonicContact NH1-OD2 2.85Å; R50-D70 PolarHBondContact NH1-OD2 3.23Å; R50-D70 VanDerWaalsContact NH1-OD2 3.12Å; R50-F73 HydrophobicContact CB-CD2 4.36Å; R50-F73 HydrophobicContact CB-CE1 4.3Å; R50-F73 HydrophobicContact CB-CE2 4.12Å; R50-F73 HydrophobicContact CB-CZ 4.1Å; R50-F73 HydrophobicContact CG-CD1 4.22Å; R50-F73 HydrophobicContact CG-CD2 4.4Å; R50-F73 HydrophobicContact CG-CE1 4.49Å; R50-F73 HydrophobicContact CG-CG 4.19Å
51	N	91.9	Very high	82.4	Confident	118 Å²	118	76.1 Å²	76.1	63%	0.631	40%	0.396	S	S	*	.	H	α-helix	trans	-75.9	-43.5	-176.3	-67.1	-38.2	0	0	0	111.3	D49 F53 R54 N55	D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 3.45Å; D49-N51 WeakPolarHBondContact OD1-CA 3.17Å; D49-N51 PolarHBondContact OD1-N 3.46Å; N51-F53 VanDerWaalsContact C-N 3.31Å; N51-F53 PolarHBondContact O-N 2.93Å; N51-R54 PolarHBondContact O-N 2.67Å; N51-N55 PolarHBondContact O-N 3.12Å
52	A	92.6	Very high	84.3	Confident	17 Å²	17	67.3 Å²	67.3	14%	0.14	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-44.6	175.5	0	0	0	0	0	110.8	V39 L48 D49 N55 I56	V39-A52 HydrophobicContact CG1-CB 4.41Å; V39-A52 HydrophobicContact CG2-CB 4.26Å; L48-A52 HydrophobicContact CD2-CB 4.36Å; D49-A52 PolarHBondContact O-N 3.09Å; D49-A52 PolarHBondContact OD1-N 3.08Å; A52-N55 PolarHBondContact O-N 2.93Å; A52-I56 WeakPolarHBondContact O-CG1 3.42Å; A52-I56 PolarHBondContact O-N 3Å; A52-I56 VanDerWaalsContact O-N 3.16Å
53	F	94.9	Very high	86.3	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-44	177.8	-168.8	-100.2	0	0	0	112.6	L48 D49 N51 N55 I56 L57 V72 F73 F76 V84 W89	L48-F53 HydrophobicContact CB-CB 4.37Å; L48-F53 HydrophobicContact CD1-CD2 4.22Å; D49-F53 WeakPolarHBondContact O-CB 3.34Å; D49-F53 PolarHBondContact O-N 3.36Å; N51-F53 VanDerWaalsContact C-N 3.31Å; N51-F53 PolarHBondContact O-N 2.93Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 3.09Å; F53-I56 WeakPolarHBondContact O-CA 3.42Å; F53-I56 WeakPolarHBondContact O-CB 3.45Å; F53-I56 PolarHBondContact O-N 3.48Å; F53-L57 HydrophobicContact CD1-CD1 3.91Å; F53-L57 HydrophobicContact CD1-CG 4.03Å; F53-L57 HydrophobicContact CE1-CD1 3.71Å; F53-L57 HydrophobicContact CE1-CD2 3.86Å; F53-L57 HydrophobicContact CE1-CG 3.82Å; F53-L57 HydrophobicContact CZ-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CG 4.43Å; F53-L57 PolarHBondContact O-N 3.22Å; F53-V72 HydrophobicContact CE1-CG1 4.18Å; F53-F73 HydrophobicContact CB-CD2 3.77Å; F53-F73 HydrophobicContact CB-CE2 4.15Å; F53-F73 HydrophobicContact CD1-CB 3.98Å; F53-F73 AromaticContact CD1-CD2 3.63Å; F53-F73 HydrophobicContact CD1-CD2 3.63Å; F53-F73 HydrophobicContact CD1-CG 4.31Å; F53-F73 HydrophobicContact CE1-CB 4.34Å; F53-F73 HydrophobicContact CE1-CD2 4.45Å; F53-F73 AromaticContact CG-CD2 3.89Å; F53-F73 HydrophobicContact CG-CD2 3.89Å; F53-F76 HydrophobicContact CE1-CD2 4.46Å; F53-F76 HydrophobicContact CE1-CG 4.29Å; F53-F76 AromaticContact CE2-CD1 3.77Å; F53-F76 HydrophobicContact CE2-CD1 3.77Å; F53-F76 HydrophobicContact CE2-CE1 4.07Å; F53-F76 HydrophobicContact CE2-CG 4.25Å; F53-F76 HydrophobicContact CZ-CB 4.11Å; F53-F76 AromaticContact CZ-CD1 3.48Å; F53-F76 HydrophobicContact CZ-CD1 3.48Å; F53-F76 VanDerWaalsContact CZ-CD1 3.48Å; F53-F76 AromaticContact CZ-CD2 3.95Å; F53-F76 HydrophobicContact CZ-CD2 3.95Å; F53-F76 AromaticContact CZ-CE1 3.76Å; F53-F76 HydrophobicContact CZ-CE1 3.76Å; F53-F76 HydrophobicContact CZ-CE2 4.21Å; F53-F76 AromaticContact CZ-CG 3.58Å; F53-F76 HydrophobicContact CZ-CG 3.58Å; F53-F76 HydrophobicContact CZ-CZ 4.12Å; F53-V84 HydrophobicContact CD2-CB 4.29Å; F53-V84 HydrophobicContact CD2-CG2 3.96Å; F53-V84 HydrophobicContact CE2-CG1 4.39Å; F53-V84 HydrophobicContact CE2-CG2 4.16Å; F53-V84 HydrophobicContact CG-CG2 4.19Å; F53-W89 HydrophobicContact CD2-CZ3 4.31Å; F53-W89 HydrophobicContact CE2-CE3 4.06Å; F53-W89 AromaticContact CE2-CZ3 3.93Å; F53-W89 HydrophobicContact CE2-CZ3 3.93Å
54	R	94.3	Very high	88.1	Confident	53 Å²	53	59 Å²	59	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-56.1	-43.2	173.3	-80.9	173.5	168.4	-123.2	1.2	112.4	R50 N51 I56 L57 H58 D66 M69 D70	R50-R54 VanDerWaalsContact O-CB 3.31Å; R50-R54 WeakPolarHBondContact O-CB 3.25Å; R50-R54 WeakPolarHBondContact O-CG 3.33Å; R50-R54 PolarHBondContact O-N 3.05Å; N51-R54 PolarHBondContact O-N 2.67Å; R54-I56 VanDerWaalsContact C-N 3.27Å; R54-I56 PolarHBondContact O-N 2.88Å; R54-L57 PolarHBondContact O-N 3.37Å; R54-H58 WeakPolarHBondContact O-CB 3.4Å; R54-H58 PolarHBondContact O-N 2.87Å; R54-D66 IonicContact NH1-OD1 2.67Å; R54-D66 PolarHBondContact NH1-OD1 2.9Å; R54-D66 PolarHBondContact NH2-O 3.08Å; R54-M69 HydrophobicContact CG-CB 4.21Å; R54-D70 IonicContact CZ-OD1 3.47Å; R54-D70 IonicContact NE-OD1 3.75Å; R54-D70 VanDerWaalsContact NH2-CB 3.25Å; R54-D70 IonicContact NH2-OD1 3.92Å; R54-D70 PolarHBondContact NH2-OD1 2.83Å
55	N	93.6	Very high	89.6	Confident	99 Å²	99	51.3 Å²	51.3	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-36.3	177.1	-174.6	58.9	0	0	0	112	N51 A52 F53 H58 V59	N51-N55 PolarHBondContact O-N 3.12Å; A52-N55 PolarHBondContact O-N 2.93Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 3.09Å; N55-H58 PolarHBondContact O-N 2.88Å; N55-V59 WeakPolarHBondContact O-CB 3.2Å; N55-V59 WeakPolarHBondContact O-CG2 3.44Å; N55-V59 PolarHBondContact O-N 3.13Å
56	I	93.8	Very high	91.3	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-48.8	173.1	-65.9	158.4	0	0	0	110.3	L35 L48 A52 F53 R54 H58 V59 T60 W89	L35-I56 HydrophobicContact CB-CD1 4.48Å; L35-I56 HydrophobicContact CD1-CD1 3.8Å; L35-I56 HydrophobicContact CD1-CG1 4.41Å; L35-I56 HydrophobicContact CD2-CD1 4.32Å; L35-I56 HydrophobicContact CD2-CG1 4.36Å; L35-I56 HydrophobicContact CG-CD1 4.43Å; L48-I56 HydrophobicContact CD1-CD1 3.75Å; L48-I56 HydrophobicContact CD2-CD1 4.09Å; A52-I56 WeakPolarHBondContact O-CG1 3.42Å; A52-I56 PolarHBondContact O-N 3Å; A52-I56 VanDerWaalsContact O-N 3.16Å; F53-I56 WeakPolarHBondContact O-CA 3.42Å; F53-I56 WeakPolarHBondContact O-CB 3.45Å; F53-I56 PolarHBondContact O-N 3.48Å; R54-I56 VanDerWaalsContact C-N 3.27Å; R54-I56 PolarHBondContact O-N 2.88Å; I56-H58 PolarHBondContact O-N 2.87Å; I56-V59 PolarHBondContact O-N 3.26Å; I56-T60 WeakPolarHBondContact O-CA 3.4Å; I56-T60 WeakPolarHBondContact O-CB 3.45Å; I56-T60 PolarHBondContact O-N 3.08Å; I56-T60 PolarHBondContact O-OG1 3.37Å; I56-W89 HydrophobicContact CD1-CZ3 4.39Å; I56-W89 HydrophobicContact CG2-CH2 4.15Å; I56-W89 HydrophobicContact CG2-CZ3 4.36Å
57	L	95.2	Very high	92.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-42.2	177.3	-64.7	179.7	0	0	0	112.1	F53 R54 F61 G62 M63 M69 V72 F96	F53-L57 HydrophobicContact CD1-CD1 3.91Å; F53-L57 HydrophobicContact CD1-CG 4.03Å; F53-L57 HydrophobicContact CE1-CD1 3.71Å; F53-L57 HydrophobicContact CE1-CD2 3.86Å; F53-L57 HydrophobicContact CE1-CG 3.82Å; F53-L57 HydrophobicContact CZ-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CG 4.43Å; F53-L57 PolarHBondContact O-N 3.22Å; R54-L57 PolarHBondContact O-N 3.37Å; L57-F61 HydrophobicContact CD2-CD2 4.04Å; L57-F61 CarbonylContact O-C 3.57Å; L57-F61 WeakPolarHBondContact O-CA 3.14Å; L57-F61 WeakPolarHBondContact O-CB 3.48Å; L57-F61 PolarHBondContact O-N 3.18Å; L57-G62 PolarHBondContact O-N 2.68Å; L57-M63 HydrophobicContact CB-CB 4.21Å; L57-M63 HydrophobicContact CB-SD 4.06Å; L57-M63 HydrophobicContact CD1-SD 4.24Å; L57-M63 HydrophobicContact CD2-SD 4.03Å; L57-M63 HydrophobicContact CG-SD 4.34Å; L57-M63 PolarHBondContact O-N 3Å; L57-M69 HydrophobicContact CB-CG 4.21Å; L57-M69 HydrophobicContact CB-SD 4.12Å; L57-M69 HydrophobicContact CD1-CB 3.99Å; L57-M69 HydrophobicContact CD1-CG 4Å; L57-V72 HydrophobicContact CD1-CB 3.96Å; L57-V72 HydrophobicContact CD1-CG1 3.6Å; L57-V72 HydrophobicContact CD2-CG1 3.81Å; L57-V72 HydrophobicContact CG-CG1 4.36Å; L57-F96 HydrophobicContact CD2-CE1 4.11Å
58	H	94.1	Very high	92.4	Very high	91 Å²	91	48.3 Å²	48.3	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-53.9	179.1	-176.9	65.7	0	0	0	113	R54 N55 I56 G62 M63 M69	R54-H58 WeakPolarHBondContact O-CB 3.4Å; R54-H58 PolarHBondContact O-N 2.87Å; N55-H58 PolarHBondContact O-N 2.88Å; I56-H58 PolarHBondContact O-N 2.87Å; H58-G62 VanDerWaalsContact O-CA 3.27Å; H58-G62 WeakPolarHBondContact O-CA 3.4Å; H58-G62 PolarHBondContact O-N 2.86Å; H58-G62 VanDerWaalsContact O-N 3.12Å; H58-M63 WeakPolarHBondContact CA-O 3.33Å; H58-M63 PolarHBondContact ND1-O 2.81Å; H58-M69 HydrophobicContact CB-SD 4.32Å
59	V	92.9	Very high	92.5	Very high	105 Å²	105	48.7 Å²	48.7	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-74.3	-37.8	-173.5	173.9	0	0	0	0	111.9	N55 I56	N55-V59 WeakPolarHBondContact O-CB 3.2Å; N55-V59 WeakPolarHBondContact O-CG2 3.44Å; N55-V59 PolarHBondContact O-N 3.13Å; I56-V59 PolarHBondContact O-N 3.26Å
60	T	91.9	Very high	92.6	Very high	47 Å²	47	46.6 Å²	46.6	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-92	-37.3	-172.8	-56.3	0	0	0	0	112.9	I56 F197	I56-T60 WeakPolarHBondContact O-CA 3.4Å; I56-T60 WeakPolarHBondContact O-CB 3.45Å; I56-T60 PolarHBondContact O-N 3.08Å; I56-T60 PolarHBondContact O-OG1 3.37Å; T60-F197 HydrophobicContact CG2-CB 4.49Å; T60-F197 HydrophobicContact CG2-CD2 3.31Å; T60-F197 HydrophobicContact CG2-CE2 3.87Å; T60-F197 HydrophobicContact CG2-CG 4.29Å
61	F	93.8	Very high	92.7	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-116.4	7.3	-175.1	-57.8	-60.3	0	0	0	113.6	L57 M63 L93 F96 L97 P189 F197	L57-F61 HydrophobicContact CD2-CD2 4.04Å; L57-F61 CarbonylContact O-C 3.57Å; L57-F61 WeakPolarHBondContact O-CA 3.14Å; L57-F61 WeakPolarHBondContact O-CB 3.48Å; L57-F61 PolarHBondContact O-N 3.18Å; F61-M63 HydrophobicContact CB-CG 4.33Å; F61-M63 PolarHBondContact O-N 2.86Å; F61-M63 VanDerWaalsContact O-N 3.12Å; F61-L93 HydrophobicContact CE2-CD2 4.3Å; F61-L93 HydrophobicContact CZ-CD2 4Å; F61-F96 HydrophobicContact CE2-CD1 4.44Å; F61-L97 HydrophobicContact CE1-CD2 4.01Å; F61-L97 HydrophobicContact CZ-CD2 4.32Å; F61-P189 HydrophobicContact CB-CB 4.07Å; F61-P189 HydrophobicContact CD1-CB 3.53Å; F61-P189 HydrophobicContact CD1-CG 4.32Å; F61-P189 HydrophobicContact CE1-CB 4.18Å; F61-P189 HydrophobicContact CG-CB 3.93Å; F61-F197 HydrophobicContact CE1-CB 4.05Å; F61-F197 HydrophobicContact CE1-CD2 4.21Å; F61-F197 HydrophobicContact CE1-CG 4.06Å; F61-F197 HydrophobicContact CZ-CD2 4.06Å; F61-F197 HydrophobicContact CZ-CE2 4.26Å; F61-F197 HydrophobicContact CZ-CG 4.18Å
62	G	91.8	Very high	92.9	Very high	50 Å²	50	38 Å²	38	52%	0.515	21%	0.214	S	C	.	.			trans	65.9	14.7	175.3	0	0	0	0	0	114.6	L57 H58	L57-G62 PolarHBondContact O-N 2.68Å; H58-G62 VanDerWaalsContact O-CA 3.27Å; H58-G62 WeakPolarHBondContact O-CA 3.4Å; H58-G62 PolarHBondContact O-N 2.86Å; H58-G62 VanDerWaalsContact O-N 3.12Å
63	M	91.9	Very high	93.1	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.064	21%	0.208	C	C	.	.			trans	-70.2	135	-179.2	-66	-175.4	172	0	0	110.2	L57 H58 F61 M69 V72 F96	L57-M63 HydrophobicContact CB-CB 4.21Å; L57-M63 HydrophobicContact CB-SD 4.06Å; L57-M63 HydrophobicContact CD1-SD 4.24Å; L57-M63 HydrophobicContact CD2-SD 4.03Å; L57-M63 HydrophobicContact CG-SD 4.34Å; L57-M63 PolarHBondContact O-N 3Å; H58-M63 WeakPolarHBondContact CA-O 3.33Å; H58-M63 PolarHBondContact ND1-O 2.81Å; F61-M63 HydrophobicContact CB-CG 4.33Å; F61-M63 PolarHBondContact O-N 2.86Å; F61-M63 VanDerWaalsContact O-N 3.12Å; M63-M69 HydrophobicContact CB-CG 3.72Å; M63-M69 HydrophobicContact CB-SD 3.92Å; M63-V72 HydrophobicContact SD-CG2 4.37Å; M63-F96 HydrophobicContact CE-CE1 3.81Å; M63-F96 HydrophobicContact CE-CZ 3.86Å
64	T	89.7	Confident	93	Very high	78 Å²	78	42.3 Å²	42.3	48%	0.479	23%	0.227	S	C	.	.			trans	-133	-7.6	-173.9	50.6	0	0	0	0	113.9	K135	T64-K135 PolarHBondContact OG1-NZ 3.21Å
65	D	89.8	Confident	93	Very high	16 Å²	16	40.2 Å²	40.2	9%	0.086	22%	0.222	C	C	.	.			trans	-88.1	116.8	175.3	-176.6	-56.1	0	0	0	109.4	M67 I68 M69 S132	D65-M67 VanDerWaalsContact C-N 3.3Å; D65-M67 PolarHBondContact O-N 3.06Å; D65-M67 WeakPolarHBondContact OD1-CA 3.33Å; D65-M67 VanDerWaalsContact OD1-CB 3.31Å; D65-M67 WeakPolarHBondContact OD1-CB 3.38Å; D65-M67 PolarHBondContact OD1-N 3.3Å; D65-I68 HydrophobicContact CB-CB 3.93Å; D65-I68 HydrophobicContact CB-CG1 3.81Å; D65-I68 PolarHBondContact O-N 2.57Å; D65-I68 PolarHBondContact OD1-N 3.23Å; D65-M69 WeakPolarHBondContact O-CB 3.31Å; D65-M69 VanDerWaalsContact O-CG 3.3Å; D65-M69 WeakPolarHBondContact O-CG 3.35Å; D65-M69 PolarHBondContact O-N 2.98Å; D65-S132 PolarHBondContact OD2-N 2.98Å
66	D	89.8	Confident	93	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-65.8	-30.3	-176.6	-84	-34.9	0	0	0	113.7	R54 M69 D70	R54-D66 IonicContact NH1-OD1 2.67Å; R54-D66 PolarHBondContact NH1-OD1 2.9Å; R54-D66 PolarHBondContact NH2-O 3.08Å; D66-M69 WeakPolarHBondContact OD1-CE 3.4Å; D66-D70 PolarHBondContact O-N 3.27Å; D66-D70 VanDerWaalsContact O-N 3.13Å
67	M	90.1	Very high	93.1	Very high	42 Å²	42	35.4 Å²	35.4	21%	0.207	20%	0.197	C	C	.	.	H	α-helix	trans	-72.8	-49.4	177.3	-176.3	-178.7	-173.9	0	0	109.3	D65 M69 D70 R71 L114 H127 M128 N131	D65-M67 VanDerWaalsContact C-N 3.3Å; D65-M67 PolarHBondContact O-N 3.06Å; D65-M67 WeakPolarHBondContact OD1-CA 3.33Å; D65-M67 VanDerWaalsContact OD1-CB 3.31Å; D65-M67 WeakPolarHBondContact OD1-CB 3.38Å; D65-M67 PolarHBondContact OD1-N 3.3Å; M67-M69 VanDerWaalsContact C-N 3.35Å; M67-M69 PolarHBondContact O-N 3.11Å; M67-D70 WeakPolarHBondContact O-CA 3.43Å; M67-D70 VanDerWaalsContact O-CB 3.26Å; M67-D70 WeakPolarHBondContact O-CB 3.31Å; M67-D70 PolarHBondContact O-N 3.2Å; M67-D70 VanDerWaalsContact O-N 3.08Å; M67-R71 WeakPolarHBondContact O-CG 3.25Å; M67-R71 PolarHBondContact O-N 3.42Å; M67-L114 HydrophobicContact CE-CD1 3.26Å; M67-L114 HydrophobicContact CE-CD2 3.75Å; M67-L114 HydrophobicContact CE-CG 4.17Å; M67-H127 HydrophobicContact CE-CB 4.13Å; M67-M128 HydrophobicContact CE-CG 4.05Å; M67-M128 HydrophobicContact CE-SD 3.34Å; M67-M128 WeakPolarHBondContact CE-SD 3.46Å; M67-M128 HydrophobicContact CG-SD 4.13Å; M67-M128 HydrophobicContact SD-SD 3.6Å; M67-N131 HydrophobicContact SD-CB 4.41Å; M67-N131 PolarHBondContact SD-ND2 3.4Å
68	I	92.8	Very high	92.9	Very high	3 Å²	3	41 Å²	41	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-47.2	176.3	-64	-72.2	0	0	0	110.8	D65 D70 R71 V72 M128 P186 C187	D65-I68 HydrophobicContact CB-CB 3.93Å; D65-I68 HydrophobicContact CB-CG1 3.81Å; D65-I68 PolarHBondContact O-N 2.57Å; D65-I68 PolarHBondContact OD1-N 3.23Å; I68-D70 PolarHBondContact O-N 2.88Å; I68-R71 PolarHBondContact O-N 2.9Å; I68-V72 HydrophobicContact CG2-CG2 4.04Å; I68-V72 WeakPolarHBondContact O-CB 3.39Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.27Å; I68-M128 HydrophobicContact CD1-CE 3.32Å; I68-P186 WeakPolarHBondContact CG2-O 3.18Å; I68-C187 HydrophobicContact CG2-CB 3.88Å
69	M	94.3	Very high	92.8	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.044	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-32.4	177.9	-72.2	-171.7	-68.1	0	0	112.3	R54 L57 H58 M63 D65 D66 M67 F73	R54-M69 HydrophobicContact CG-CB 4.21Å; L57-M69 HydrophobicContact CB-CG 4.21Å; L57-M69 HydrophobicContact CB-SD 4.12Å; L57-M69 HydrophobicContact CD1-CB 3.99Å; L57-M69 HydrophobicContact CD1-CG 4Å; H58-M69 HydrophobicContact CB-SD 4.32Å; M63-M69 HydrophobicContact CB-CG 3.72Å; M63-M69 HydrophobicContact CB-SD 3.92Å; D65-M69 WeakPolarHBondContact O-CB 3.31Å; D65-M69 VanDerWaalsContact O-CG 3.3Å; D65-M69 WeakPolarHBondContact O-CG 3.35Å; D65-M69 PolarHBondContact O-N 2.98Å; D66-M69 WeakPolarHBondContact OD1-CE 3.4Å; M67-M69 VanDerWaalsContact C-N 3.35Å; M67-M69 PolarHBondContact O-N 3.11Å; M69-F73 WeakPolarHBondContact O-CB 3.42Å; M69-F73 PolarHBondContact O-N 2.77Å
70	D	93.5	Very high	92.8	Very high	20 Å²	20	41.8 Å²	41.8	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-45.5	171.2	-153	67.9	0	0	0	112	R50 R54 D66 M67 I68 F73 R74	R50-D70 WeakPolarHBondContact CD-OD1 3.38Å; R50-D70 IonicContact CZ-OD1 3.12Å; R50-D70 IonicContact NE-OD1 2.71Å; R50-D70 VanDerWaalsContact NH1-CG 3.26Å; R50-D70 IonicContact NH1-OD1 3.87Å; R50-D70 PolarHBondContact NH1-OD1 3.21Å; R50-D70 IonicContact NH1-OD2 2.85Å; R50-D70 PolarHBondContact NH1-OD2 3.23Å; R50-D70 VanDerWaalsContact NH1-OD2 3.12Å; R54-D70 IonicContact CZ-OD1 3.47Å; R54-D70 IonicContact NE-OD1 3.75Å; R54-D70 VanDerWaalsContact NH2-CB 3.25Å; R54-D70 IonicContact NH2-OD1 3.92Å; R54-D70 PolarHBondContact NH2-OD1 2.83Å; D66-D70 PolarHBondContact O-N 3.27Å; D66-D70 VanDerWaalsContact O-N 3.13Å; M67-D70 WeakPolarHBondContact O-CA 3.43Å; M67-D70 VanDerWaalsContact O-CB 3.26Å; M67-D70 WeakPolarHBondContact O-CB 3.31Å; M67-D70 PolarHBondContact O-N 3.2Å; M67-D70 VanDerWaalsContact O-N 3.08Å; I68-D70 PolarHBondContact O-N 2.88Å; D70-F73 WeakPolarHBondContact O-CB 3.46Å; D70-F73 PolarHBondContact O-N 3.29Å; D70-R74 WeakPolarHBondContact O-CG 3.5Å; D70-R74 PolarHBondContact O-N 3.07Å; D70-R74 VanDerWaalsContact O-N 3.08Å; D70-R74 IonicContact OD2-CZ 3.49Å; D70-R74 IonicContact OD2-NE 3.64Å; D70-R74 PolarHBondContact OD2-NE 3.13Å; D70-R74 VanDerWaalsContact OD2-NE 3.08Å; D70-R74 IonicContact OD2-NH2 3.81Å; D70-R74 PolarHBondContact OD2-NH2 2.86Å; D70-R74 VanDerWaalsContact OD2-NH2 3.09Å
71	R	94.3	Very high	92.8	Very high	27 Å²	27	43.8 Å²	43.8	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-39.9	-177.9	-63.2	-56.3	-60.4	-175.5	3.7	111.5	M67 I68 F73 R74 G75 E110 V111 D113 L114	M67-R71 WeakPolarHBondContact O-CG 3.25Å; M67-R71 PolarHBondContact O-N 3.42Å; I68-R71 PolarHBondContact O-N 2.9Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 PolarHBondContact O-N 3.08Å; R71-R74 PolarHBondContact O-N 2.98Å; R71-G75 PolarHBondContact O-N 2.8Å; R71-E110 PolarHBondContact NH2-O 3.01Å; R71-V111 HydrophobicContact CB-CB 4.34Å; R71-V111 HydrophobicContact CB-CG1 3.68Å; R71-V111 HydrophobicContact CB-CG2 4.42Å; R71-V111 HydrophobicContact CG-CG1 4.48Å; R71-V111 PolarHBondContact NE-O 2.83Å; R71-D113 PolarHBondContact NH2-O 3.46Å; R71-L114 HydrophobicContact CG-CD2 4.21Å; R71-L114 PolarHBondContact NH1-O 3.05Å
72	V	95.9	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-42.7	173	169.8	0	0	0	0	110.8	F53 L57 M63 I68 R74 G75 F76 F96 Y107 C187	F53-V72 HydrophobicContact CE1-CG1 4.18Å; L57-V72 HydrophobicContact CD1-CB 3.96Å; L57-V72 HydrophobicContact CD1-CG1 3.6Å; L57-V72 HydrophobicContact CD2-CG1 3.81Å; L57-V72 HydrophobicContact CG-CG1 4.36Å; M63-V72 HydrophobicContact SD-CG2 4.37Å; I68-V72 HydrophobicContact CG2-CG2 4.04Å; I68-V72 WeakPolarHBondContact O-CB 3.39Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.27Å; V72-R74 PolarHBondContact O-N 3.02Å; V72-G75 PolarHBondContact O-N 3Å; V72-G75 VanDerWaalsContact O-N 3.15Å; V72-F76 HydrophobicContact CG1-CD2 4.34Å; V72-F76 HydrophobicContact CG1-CE2 4.24Å; V72-F76 WeakPolarHBondContact O-CD2 3.49Å; V72-F76 PolarHBondContact O-N 3.46Å; V72-F76 VanDerWaalsContact O-N 3.13Å; V72-F96 HydrophobicContact CB-CZ 4.41Å; V72-F96 HydrophobicContact CG1-CE1 3.98Å; V72-F96 HydrophobicContact CG1-CE2 4.2Å; V72-F96 HydrophobicContact CG1-CZ 3.38Å; V72-F96 HydrophobicContact CG2-CZ 4.11Å; V72-Y107 WeakPolarHBondContact CA-OH 3.4Å; V72-Y107 WeakPolarHBondContact CG1-OH 3.3Å; V72-C187 HydrophobicContact CG2-CB 4.14Å; V72-C187 WeakPolarHBondContact CG2-O 3.44Å
73	F	95.9	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57	-49.1	173.3	174.5	-90.7	0	0	0	111.8	R50 F53 M69 D70 R71 G75 F76 D77 G82 V84	R50-F73 HydrophobicContact CB-CD2 4.36Å; R50-F73 HydrophobicContact CB-CE1 4.3Å; R50-F73 HydrophobicContact CB-CE2 4.12Å; R50-F73 HydrophobicContact CB-CZ 4.1Å; R50-F73 HydrophobicContact CG-CD1 4.22Å; R50-F73 HydrophobicContact CG-CD2 4.4Å; R50-F73 HydrophobicContact CG-CE1 4.49Å; R50-F73 HydrophobicContact CG-CG 4.19Å; F53-F73 HydrophobicContact CB-CD2 3.77Å; F53-F73 HydrophobicContact CB-CE2 4.15Å; F53-F73 HydrophobicContact CD1-CB 3.98Å; F53-F73 AromaticContact CD1-CD2 3.63Å; F53-F73 HydrophobicContact CD1-CD2 3.63Å; F53-F73 HydrophobicContact CD1-CG 4.31Å; F53-F73 HydrophobicContact CE1-CB 4.34Å; F53-F73 HydrophobicContact CE1-CD2 4.45Å; F53-F73 AromaticContact CG-CD2 3.89Å; F53-F73 HydrophobicContact CG-CD2 3.89Å; M69-F73 WeakPolarHBondContact O-CB 3.42Å; M69-F73 PolarHBondContact O-N 2.77Å; D70-F73 WeakPolarHBondContact O-CB 3.46Å; D70-F73 PolarHBondContact O-N 3.29Å; R71-F73 VanDerWaalsContact C-N 3.32Å; R71-F73 PolarHBondContact O-N 3.08Å; F73-G75 PolarHBondContact O-N 3.06Å; F73-F76 PolarHBondContact O-N 3.43Å; F73-D77 HydrophobicContact CD1-CB 4.46Å; F73-D77 HydrophobicContact CE1-CB 3.96Å; F73-D77 HydrophobicContact CZ-CB 4.17Å; F73-D77 WeakPolarHBondContact O-CB 3.31Å; F73-D77 PolarHBondContact O-N 2.81Å; F73-G82 WeakPolarHBondContact CZ-O 3.27Å; F73-V84 HydrophobicContact CD2-CG2 3.98Å; F73-V84 HydrophobicContact CE2-CG2 3.73Å; F73-V84 HydrophobicContact CZ-CG2 4.47Å
74	R	93.9	Very high	92.9	Very high	110 Å²	110	42.8 Å²	42.8	42%	0.415	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-31.9	176.1	-65.1	178.8	-165.3	-149.7	3	112.9	D70 R71 V72 F76	D70-R74 WeakPolarHBondContact O-CG 3.5Å; D70-R74 PolarHBondContact O-N 3.07Å; D70-R74 VanDerWaalsContact O-N 3.08Å; D70-R74 IonicContact OD2-CZ 3.49Å; D70-R74 IonicContact OD2-NE 3.64Å; D70-R74 PolarHBondContact OD2-NE 3.13Å; D70-R74 VanDerWaalsContact OD2-NE 3.08Å; D70-R74 IonicContact OD2-NH2 3.81Å; D70-R74 PolarHBondContact OD2-NH2 2.86Å; D70-R74 VanDerWaalsContact OD2-NH2 3.09Å; R71-R74 PolarHBondContact O-N 2.98Å; V72-R74 PolarHBondContact O-N 3.02Å; R74-F76 PolarHBondContact O-N 3.47Å
75	G	93.1	Very high	93.1	Very high	10 Å²	10	40.7 Å²	40.7	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-31	173.9	0	0	0	0	0	112.8	R71 V72 F73 K78	R71-G75 PolarHBondContact O-N 2.8Å; V72-G75 PolarHBondContact O-N 3Å; V72-G75 VanDerWaalsContact O-N 3.15Å; F73-G75 PolarHBondContact O-N 3.06Å; G75-K78 WeakPolarHBondContact O-CE 3.38Å; G75-K78 PolarHBondContact O-NZ 3.08Å; G75-K78 VanDerWaalsContact O-NZ 3.12Å
76	F	95.2	Very high	93.2	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-85.4	-43.5	176.1	-84.2	-121.8	0	0	0	112.6	F53 V72 F73 R74 K78 V84 E88 G92 L93 F96	F53-F76 HydrophobicContact CE1-CD2 4.46Å; F53-F76 HydrophobicContact CE1-CG 4.29Å; F53-F76 AromaticContact CE2-CD1 3.77Å; F53-F76 HydrophobicContact CE2-CD1 3.77Å; F53-F76 HydrophobicContact CE2-CE1 4.07Å; F53-F76 HydrophobicContact CE2-CG 4.25Å; F53-F76 HydrophobicContact CZ-CB 4.11Å; F53-F76 AromaticContact CZ-CD1 3.48Å; F53-F76 HydrophobicContact CZ-CD1 3.48Å; F53-F76 VanDerWaalsContact CZ-CD1 3.48Å; F53-F76 AromaticContact CZ-CD2 3.95Å; F53-F76 HydrophobicContact CZ-CD2 3.95Å; F53-F76 AromaticContact CZ-CE1 3.76Å; F53-F76 HydrophobicContact CZ-CE1 3.76Å; F53-F76 HydrophobicContact CZ-CE2 4.21Å; F53-F76 AromaticContact CZ-CG 3.58Å; F53-F76 HydrophobicContact CZ-CG 3.58Å; F53-F76 HydrophobicContact CZ-CZ 4.12Å; V72-F76 HydrophobicContact CG1-CD2 4.34Å; V72-F76 HydrophobicContact CG1-CE2 4.24Å; V72-F76 WeakPolarHBondContact O-CD2 3.49Å; V72-F76 PolarHBondContact O-N 3.46Å; V72-F76 VanDerWaalsContact O-N 3.13Å; F73-F76 PolarHBondContact O-N 3.43Å; R74-F76 PolarHBondContact O-N 3.47Å; F76-K78 PolarHBondContact O-N 3.21Å; F76-V84 HydrophobicContact CB-CG1 4.31Å; F76-V84 HydrophobicContact CB-CG2 3.77Å; F76-V84 HydrophobicContact CD1-CG1 4.26Å; F76-E88 VanDerWaalsContact O-CB 3.27Å; F76-E88 WeakPolarHBondContact O-CB 2.99Å; F76-E88 VanDerWaalsContact O-CG 3.3Å; F76-E88 WeakPolarHBondContact O-CG 3.15Å; F76-G92 VanDerWaalsContact CE1-C 3.47Å; F76-G92 VanDerWaalsContact CE1-CA 3.43Å; F76-L93 HydrophobicContact CE1-CG 4.42Å; F76-F96 HydrophobicContact CE2-CD1 4.28Å; F76-F96 AromaticContact CE2-CD2 3.8Å; F76-F96 HydrophobicContact CE2-CD2 3.8Å; F76-F96 HydrophobicContact CE2-CE1 4.26Å; F76-F96 AromaticContact CE2-CE2 3.83Å; F76-F96 HydrophobicContact CE2-CE2 3.83Å; F76-F96 HydrophobicContact CE2-CG 4.08Å; F76-F96 HydrophobicContact CE2-CZ 4.07Å; F76-F96 HydrophobicContact CZ-CB 4.42Å; F76-F96 HydrophobicContact CZ-CD1 4.02Å; F76-F96 HydrophobicContact CZ-CD2 4.07Å; F76-F96 HydrophobicContact CZ-CE1 4.37Å; F76-F96 HydrophobicContact CZ-CE2 4.45Å; F76-F96 AromaticContact CZ-CG 3.89Å; F76-F96 HydrophobicContact CZ-CG 3.89Å
77	D	95.1	Very high	93.3	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.205	C	C	.	.			trans	-74.3	84.4	178.5	179.2	9.2	0	0	0	110.7	F73 N80 D81 G82	F73-D77 HydrophobicContact CD1-CB 4.46Å; F73-D77 HydrophobicContact CE1-CB 3.96Å; F73-D77 HydrophobicContact CZ-CB 4.17Å; F73-D77 WeakPolarHBondContact O-CB 3.31Å; F73-D77 PolarHBondContact O-N 2.81Å; D77-N80 WeakPolarHBondContact OD1-CA 3.35Å; D77-N80 PolarHBondContact OD1-N 2.89Å; D77-D81 PolarHBondContact OD1-N 3.04Å; D77-D81 VanDerWaalsContact OD1-N 3.16Å; D77-G82 VanDerWaalsContact OD2-CA 3.27Å; D77-G82 WeakPolarHBondContact OD2-CA 3.41Å; D77-G82 PolarHBondContact OD2-N 3.15Å
78	K	91.7	Very high	93.5	Very high	118 Å²	118	38.1 Å²	38.1	51%	0.513	20%	0.198	S	C	.	.	S	Bend	trans	-81.8	-27.3	-172.3	-70.8	-54.5	-168.6	-169.7	0	112.6	G75 F76 E88 E110	G75-K78 WeakPolarHBondContact O-CE 3.38Å; G75-K78 PolarHBondContact O-NZ 3.08Å; G75-K78 VanDerWaalsContact O-NZ 3.12Å; F76-K78 PolarHBondContact O-N 3.21Å; K78-E88 PolarHBondContact N-OE1 3.1Å; K78-E110 IonicContact NZ-OE2 2.75Å; K78-E110 PolarHBondContact NZ-OE2 3.23Å
79	D	92.3	Very high	93.6	Very high	90 Å²	90	38 Å²	38	48%	0.481	20%	0.198	S	C	.	.	S	Bend	trans	-89.4	-5	174.7	66.4	21.6	0	0	0	113.8	D81 E88	D79-D81 PolarHBondContact O-N 3.34Å; D79-D81 VanDerWaalsContact OD1-CB 3.3Å; D79-D81 WeakPolarHBondContact OD1-CB 3.41Å; D79-D81 VanDerWaalsContact OD1-CG 3.26Å; D79-D81 PolarHBondContact OD1-N 2.86Å; D79-D81 VanDerWaalsContact OD1-N 3.13Å; D79-E88 PolarHBondContact N-OE1 3.02Å
80	N	91.7	Very high	93.7	Very high	123 Å²	123	37.6 Å²	37.6	66%	0.658	20%	0.196	S	C	*	.			trans	58.6	32.6	179.1	-59.2	-80	0	0	0	112.7	D77 G82	D77-N80 WeakPolarHBondContact OD1-CA 3.35Å; D77-N80 PolarHBondContact OD1-N 2.89Å; N80-G82 PolarHBondContact O-N 3.47Å
81	D	92.2	Very high	93.6	Very high	89 Å²	89	40.9 Å²	40.9	48%	0.476	21%	0.21	S	C	.	.	S	Bend	trans	-79.7	-5.3	176	85.1	-0.3	0	0	0	112.9	D77 D79 C83	D77-D81 PolarHBondContact OD1-N 3.04Å; D77-D81 VanDerWaalsContact OD1-N 3.16Å; D79-D81 PolarHBondContact O-N 3.34Å; D79-D81 VanDerWaalsContact OD1-CB 3.3Å; D79-D81 WeakPolarHBondContact OD1-CB 3.41Å; D79-D81 VanDerWaalsContact OD1-CG 3.26Å; D79-D81 PolarHBondContact OD1-N 2.86Å; D79-D81 VanDerWaalsContact OD1-N 3.13Å; D81-C83 WeakPolarHBondContact OD1-CA 3.48Å; D81-C83 WeakPolarHBondContact OD1-CB 3.46Å; D81-C83 PolarHBondContact OD1-N 3.35Å
82	G	91.4	Very high	93.7	Very high	31 Å²	31	40.1 Å²	40.1	32%	0.32	21%	0.211	S	C	.	.	S	Bend	trans	85.1	10.5	179.3	0	0	0	0	0	113.8	F73 D77 N80	F73-G82 WeakPolarHBondContact CZ-O 3.27Å; D77-G82 VanDerWaalsContact OD2-CA 3.27Å; D77-G82 WeakPolarHBondContact OD2-CA 3.41Å; D77-G82 PolarHBondContact OD2-N 3.15Å; N80-G82 PolarHBondContact O-N 3.47Å
83	C	92.8	Very high	93.7	Very high	17 Å²	17	40.2 Å²	40.2	12%	0.115	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.1	176.9	-72	0	0	0	0	111.5	V45 L48 D81 N85	V45-C83 HydrophobicContact CG1-CB 3.92Å; L48-C83 CarbonylContact O-C 3.52Å; L48-C83 WeakPolarHBondContact O-CA 3.26Å; D81-C83 WeakPolarHBondContact OD1-CA 3.48Å; D81-C83 WeakPolarHBondContact OD1-CB 3.46Å; D81-C83 PolarHBondContact OD1-N 3.35Å; C83-N85 PolarHBondContact O-N 2.95Å
84	V	95.2	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	112.3	170.7	178.3	0	0	0	0	109	F32 G47 L48 F53 F73 F76 E88 W89	F32-V84 VanDerWaalsContact CE2-O 3.31Å; F32-V84 WeakPolarHBondContact CE2-O 3.05Å; G47-V84 WeakPolarHBondContact CA-O 3.5Å; L48-V84 HydrophobicContact CB-CB 4.32Å; L48-V84 PolarHBondContact N-O 3.09Å; L48-V84 PolarHBondContact O-N 3.36Å; F53-V84 HydrophobicContact CD2-CB 4.29Å; F53-V84 HydrophobicContact CD2-CG2 3.96Å; F53-V84 HydrophobicContact CE2-CG1 4.39Å; F53-V84 HydrophobicContact CE2-CG2 4.16Å; F53-V84 HydrophobicContact CG-CG2 4.19Å; F73-V84 HydrophobicContact CD2-CG2 3.98Å; F73-V84 HydrophobicContact CE2-CG2 3.73Å; F73-V84 HydrophobicContact CZ-CG2 4.47Å; F76-V84 HydrophobicContact CB-CG1 4.31Å; F76-V84 HydrophobicContact CB-CG2 3.77Å; F76-V84 HydrophobicContact CD1-CG1 4.26Å; V84-E88 WeakPolarHBondContact CA-OE2 3.39Å; V84-E88 HydrophobicContact CG1-CB 3.9Å; V84-W89 HydrophobicContact CG1-CB 4.1Å
85	N	93.1	Very high	93.7	Very high	35 Å²	35	36.9 Å²	36.9	19%	0.187	20%	0.202	C	C	.	.			trans	-82.9	173.6	175.3	72.7	55.6	0	0	0	112	C83 L87 E88 W89	C83-N85 PolarHBondContact O-N 2.95Å; N85-L87 VanDerWaalsContact C-N 3.27Å; N85-L87 PolarHBondContact O-N 3.16Å; N85-L87 WeakPolarHBondContact OD1-CA 3.27Å; N85-L87 WeakPolarHBondContact OD1-CB 3.09Å; N85-L87 PolarHBondContact OD1-N 3.4Å; N85-E88 VanDerWaalsContact CG-OE2 3.25Å; N85-E88 PolarHBondContact N-OE2 3.1Å; N85-E88 VanDerWaalsContact ND2-CD 3.26Å; N85-E88 PolarHBondContact ND2-OE2 3.25Å; N85-E88 VanDerWaalsContact ND2-OE2 3.08Å; N85-E88 PolarHBondContact O-N 2.81Å; N85-E88 PolarHBondContact OD1-N 2.96Å; N85-E88 VanDerWaalsContact OD1-N 3.11Å; N85-W89 WeakPolarHBondContact O-CB 3.41Å; N85-W89 PolarHBondContact O-N 2.72Å
86	V	92.4	Very high	93.6	Very high	16 Å²	16	36.4 Å²	36.4	10%	0.097	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-29.7	-175.9	70.4	0	0	0	0	113.3	L9 I29 F32 I90	L9-V86 HydrophobicContact CD2-CG1 4.3Å; I29-V86 HydrophobicContact CG1-CG2 4.04Å; I29-V86 HydrophobicContact CG2-CG2 4.37Å; F32-V86 HydrophobicContact CB-CG2 4.4Å; F32-V86 HydrophobicContact CD1-CB 3.78Å; F32-V86 HydrophobicContact CD1-CG2 3.83Å; F32-V86 HydrophobicContact CE1-CB 3.72Å; F32-V86 HydrophobicContact CE1-CG2 4.31Å; F32-V86 HydrophobicContact CG-CB 4.26Å; F32-V86 HydrophobicContact CG-CG2 4.09Å; F32-V86 HydrophobicContact CZ-CB 4.14Å; V86-I90 WeakPolarHBondContact O-CG1 3.46Å; V86-I90 PolarHBondContact O-N 3.13Å
87	L	92.3	Very high	93.6	Very high	80 Å²	80	36.6 Å²	36.6	42%	0.419	20%	0.198	S	C	.	.	H	α-helix	trans	-71.3	-46.9	178.7	-53.6	177.6	0	0	0	109.8	L13 N85 I90 H91	L13-L87 HydrophobicContact CD1-CD2 4Å; L13-L87 HydrophobicContact CD2-CB 4.43Å; L13-L87 HydrophobicContact CD2-CD2 3.25Å; L13-L87 HydrophobicContact CD2-CG 4.42Å; L13-L87 HydrophobicContact CG-CD2 3.77Å; N85-L87 VanDerWaalsContact C-N 3.27Å; N85-L87 PolarHBondContact O-N 3.16Å; N85-L87 WeakPolarHBondContact OD1-CA 3.27Å; N85-L87 WeakPolarHBondContact OD1-CB 3.09Å; N85-L87 PolarHBondContact OD1-N 3.4Å; L87-I90 PolarHBondContact O-N 2.9Å; L87-H91 PolarHBondContact O-N 3.01Å
88	E	95.1	Very high	93.7	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-42.3	177	-71.8	171.3	153.9	0	0	112.4	F76 K78 D79 V84 N85 I90 H91 G92	F76-E88 VanDerWaalsContact O-CB 3.27Å; F76-E88 WeakPolarHBondContact O-CB 2.99Å; F76-E88 VanDerWaalsContact O-CG 3.3Å; F76-E88 WeakPolarHBondContact O-CG 3.15Å; K78-E88 PolarHBondContact N-OE1 3.1Å; D79-E88 PolarHBondContact N-OE1 3.02Å; V84-E88 WeakPolarHBondContact CA-OE2 3.39Å; V84-E88 HydrophobicContact CG1-CB 3.9Å; N85-E88 VanDerWaalsContact CG-OE2 3.25Å; N85-E88 PolarHBondContact N-OE2 3.1Å; N85-E88 VanDerWaalsContact ND2-CD 3.26Å; N85-E88 PolarHBondContact ND2-OE2 3.25Å; N85-E88 VanDerWaalsContact ND2-OE2 3.08Å; N85-E88 PolarHBondContact O-N 2.81Å; N85-E88 PolarHBondContact OD1-N 2.96Å; N85-E88 VanDerWaalsContact OD1-N 3.11Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 3.29Å; E88-H91 PolarHBondContact O-N 3.41Å; E88-G92 WeakPolarHBondContact O-CA 3.3Å; E88-G92 PolarHBondContact O-N 3.43Å
89	W	95.2	Very high	93.9	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-54.3	-48.1	172.9	173.7	-100.9	0	0	0	112.1	L28 L31 F32 L35 L48 F53 I56 V84 N85 L93	L28-W89 PolarHBondContact O-NE1 3.08Å; L31-W89 HydrophobicContact CD2-CZ2 3.9Å; L31-W89 HydrophobicContact CG-CZ2 4.17Å; F32-W89 HydrophobicContact CB-CG 4.24Å; F32-W89 HydrophobicContact CD2-CB 3.69Å; F32-W89 AromaticContact CD2-CD2 3.99Å; F32-W89 HydrophobicContact CD2-CD2 3.99Å; F32-W89 HydrophobicContact CD2-CE3 4.5Å; F32-W89 AromaticContact CD2-CG 3.62Å; F32-W89 HydrophobicContact CD2-CG 3.62Å; F32-W89 HydrophobicContact CE2-CB 4.07Å; F32-W89 HydrophobicContact CE2-CG 4.44Å; F32-W89 HydrophobicContact CG-CG 4.31Å; L35-W89 HydrophobicContact CD1-CH2 3.86Å; L35-W89 HydrophobicContact CD1-CZ2 4.02Å; L48-W89 HydrophobicContact CD1-CE3 3.76Å; L48-W89 HydrophobicContact CD1-CZ3 3.85Å; F53-W89 HydrophobicContact CD2-CZ3 4.31Å; F53-W89 HydrophobicContact CE2-CE3 4.06Å; F53-W89 AromaticContact CE2-CZ3 3.93Å; F53-W89 HydrophobicContact CE2-CZ3 3.93Å; I56-W89 HydrophobicContact CD1-CZ3 4.39Å; I56-W89 HydrophobicContact CG2-CH2 4.15Å; I56-W89 HydrophobicContact CG2-CZ3 4.36Å; V84-W89 HydrophobicContact CG1-CB 4.1Å; N85-W89 WeakPolarHBondContact O-CB 3.41Å; N85-W89 PolarHBondContact O-N 2.72Å; W89-L93 HydrophobicContact CD2-CD1 3.92Å; W89-L93 HydrophobicContact CD2-CG 4.42Å; W89-L93 HydrophobicContact CE3-CD1 4.49Å; W89-L93 HydrophobicContact CG-CD1 4.43Å; W89-L93 HydrophobicContact CH2-CD1 4.09Å; W89-L93 HydrophobicContact CZ2-CD1 3.48Å; W89-L93 VanDerWaalsContact CZ2-CD1 3.48Å; W89-L93 HydrophobicContact CZ2-CG 4.48Å; W89-L93 VanDerWaalsContact O-CB 3.32Å; W89-L93 WeakPolarHBondContact O-CB 3.35Å; W89-L93 WeakPolarHBondContact O-CG 3.39Å; W89-L93 PolarHBondContact O-N 3.5Å
90	I	94.8	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.4	-46.9	-178.7	-64.4	-70.6	0	0	0	111.2	L13 C17 V25 L28 I29 V86 L87 E88 S94	L13-I90 HydrophobicContact CD1-CG1 4.24Å; C17-I90 HydrophobicContact CB-CG2 4.45Å; V25-I90 HydrophobicContact CG1-CD1 4.44Å; L28-I90 HydrophobicContact CB-CD1 3.17Å; L28-I90 HydrophobicContact CD1-CD1 3.7Å; L28-I90 HydrophobicContact CG-CD1 4.06Å; I29-I90 HydrophobicContact CG1-CD1 4.17Å; I29-I90 HydrophobicContact CG1-CG1 4.5Å; V86-I90 WeakPolarHBondContact O-CG1 3.46Å; V86-I90 PolarHBondContact O-N 3.13Å; L87-I90 PolarHBondContact O-N 2.9Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 3.29Å; I90-S94 WeakPolarHBondContact O-CB 3.25Å; I90-S94 PolarHBondContact O-N 3.44Å
91	H	93.2	Very high	94.3	Very high	89 Å²	89	29.5 Å²	29.5	41%	0.412	17%	0.165	S	C	.	.	H	α-helix	trans	-66.4	-43.7	-179.8	-68.3	160.4	0	0	0	112.1	L87 E88 S94 L95	L87-H91 PolarHBondContact O-N 3.01Å; E88-H91 PolarHBondContact O-N 3.41Å; H91-S94 WeakPolarHBondContact O-CB 3.47Å; H91-S94 PolarHBondContact O-N 2.97Å; H91-L95 PolarHBondContact O-N 3.46Å
92	G	94.5	Very high	94.5	Very high	11 Å²	11	30.3 Å²	30.3	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-46.7	177.7	0	0	0	0	0	111.7	F76 E88 S94 L95 F96	F76-G92 VanDerWaalsContact CE1-C 3.47Å; F76-G92 VanDerWaalsContact CE1-CA 3.43Å; E88-G92 WeakPolarHBondContact O-CA 3.3Å; E88-G92 PolarHBondContact O-N 3.43Å; G92-S94 VanDerWaalsContact C-N 3.29Å; G92-S94 PolarHBondContact O-N 2.83Å; G92-L95 PolarHBondContact O-N 3.01Å; G92-L95 VanDerWaalsContact O-N 3.16Å; G92-F96 WeakPolarHBondContact O-CB 3.5Å; G92-F96 PolarHBondContact O-N 3.4Å
93	L	95.9	Very high	94.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-32.2	174.3	-74.1	-177.9	0	0	0	113.1	F20 L28 F61 F76 W89 L95 F96 L97 F197	F20-L93 HydrophobicContact CE2-CB 4.2Å; F20-L93 HydrophobicContact CZ-CB 4.47Å; L28-L93 HydrophobicContact CD1-CB 4.43Å; L28-L93 HydrophobicContact CD1-CD1 4.29Å; L28-L93 HydrophobicContact CD2-CD1 3.72Å; F61-L93 HydrophobicContact CE2-CD2 4.3Å; F61-L93 HydrophobicContact CZ-CD2 4Å; F76-L93 HydrophobicContact CE1-CG 4.42Å; W89-L93 HydrophobicContact CD2-CD1 3.92Å; W89-L93 HydrophobicContact CD2-CG 4.42Å; W89-L93 HydrophobicContact CE3-CD1 4.49Å; W89-L93 HydrophobicContact CG-CD1 4.43Å; W89-L93 HydrophobicContact CH2-CD1 4.09Å; W89-L93 HydrophobicContact CZ2-CD1 3.48Å; W89-L93 VanDerWaalsContact CZ2-CD1 3.48Å; W89-L93 HydrophobicContact CZ2-CG 4.48Å; W89-L93 VanDerWaalsContact O-CB 3.32Å; W89-L93 WeakPolarHBondContact O-CB 3.35Å; W89-L93 WeakPolarHBondContact O-CG 3.39Å; W89-L93 PolarHBondContact O-N 3.5Å; L93-L95 PolarHBondContact O-N 3Å; L93-F96 PolarHBondContact O-N 3.29Å; L93-L97 HydrophobicContact CB-CD1 4.4Å; L93-L97 HydrophobicContact CD2-CD1 4.41Å; L93-L97 HydrophobicContact CD2-CG 4.5Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 WeakPolarHBondContact O-CG 3.39Å; L93-L97 PolarHBondContact O-N 3.39Å; L93-F197 HydrophobicContact CD1-CE1 4.23Å; L93-F197 HydrophobicContact CD1-CZ 3.94Å; L93-F197 HydrophobicContact CD2-CZ 4.47Å
94	S	95.3	Very high	94.9	Very high	8 Å²	8	31.6 Å²	31.6	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-39.2	175.5	-171.1	0	0	0	0	110.7	H19 F20 I90 H91 G92 R98 G99	H19-S94 WeakPolarHBondContact CB-OG 3.32Å; H19-S94 PolarHBondContact CD2-O 2.86Å; H19-S94 VanDerWaalsContact CD2-O 3.29Å; H19-S94 PolarHBondContact CD2-OG 2.92Å; H19-S94 VanDerWaalsContact CD2-OG 3.23Å; F20-S94 VanDerWaalsContact CE2-N 3.33Å; I90-S94 WeakPolarHBondContact O-CB 3.25Å; I90-S94 PolarHBondContact O-N 3.44Å; H91-S94 WeakPolarHBondContact O-CB 3.47Å; H91-S94 PolarHBondContact O-N 2.97Å; G92-S94 VanDerWaalsContact C-N 3.29Å; G92-S94 PolarHBondContact O-N 2.83Å; S94-R98 CarbonylContact O-C 3.43Å; S94-R98 PolarHBondContact O-N 3.48Å; S94-G99 PolarHBondContact O-N 3.21Å; S94-G99 VanDerWaalsContact O-N 3.17Å
95	L	94.6	Very high	95.1	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-75	-47.6	175.1	-174.2	148.5	0	0	0	112	H91 G92 L93 L97 G99 E103 Y107 L188	H91-L95 PolarHBondContact O-N 3.46Å; G92-L95 PolarHBondContact O-N 3.01Å; G92-L95 VanDerWaalsContact O-N 3.16Å; L93-L95 PolarHBondContact O-N 3Å; L95-L97 PolarHBondContact O-N 2.81Å; L95-G99 VanDerWaalsContact O-CA 3.26Å; L95-G99 WeakPolarHBondContact O-CA 3.24Å; L95-G99 PolarHBondContact O-N 3.16Å; L95-E103 HydrophobicContact CD1-CB 4.04Å; L95-E103 HydrophobicContact CG-CB 4.36Å; L95-Y107 HydrophobicContact CD1-CD2 4.17Å; L95-Y107 HydrophobicContact CD1-CG 4.12Å; L95-Y107 HydrophobicContact CD2-CD1 3.84Å; L95-Y107 HydrophobicContact CD2-CD2 3.86Å; L95-Y107 HydrophobicContact CD2-CE1 4.5Å; L95-Y107 HydrophobicContact CD2-CE2 4.49Å; L95-Y107 HydrophobicContact CD2-CG 3.49Å; L95-Y107 VanDerWaalsContact CD2-CG 3.49Å; L95-Y107 HydrophobicContact CG-CG 4.48Å; L95-L188 HydrophobicContact CD2-CD2 4.26Å
96	F	92.9	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-45.1	-176.5	-108.5	-141.7	0	0	0	113.2	L57 F61 M63 V72 F76 G92 L93 Y107 C187 L188 P189	L57-F96 HydrophobicContact CD2-CE1 4.11Å; F61-F96 HydrophobicContact CE2-CD1 4.44Å; M63-F96 HydrophobicContact CE-CE1 3.81Å; M63-F96 HydrophobicContact CE-CZ 3.86Å; V72-F96 HydrophobicContact CB-CZ 4.41Å; V72-F96 HydrophobicContact CG1-CE1 3.98Å; V72-F96 HydrophobicContact CG1-CE2 4.2Å; V72-F96 HydrophobicContact CG1-CZ 3.38Å; V72-F96 HydrophobicContact CG2-CZ 4.11Å; F76-F96 HydrophobicContact CE2-CD1 4.28Å; F76-F96 AromaticContact CE2-CD2 3.8Å; F76-F96 HydrophobicContact CE2-CD2 3.8Å; F76-F96 HydrophobicContact CE2-CE1 4.26Å; F76-F96 AromaticContact CE2-CE2 3.83Å; F76-F96 HydrophobicContact CE2-CE2 3.83Å; F76-F96 HydrophobicContact CE2-CG 4.08Å; F76-F96 HydrophobicContact CE2-CZ 4.07Å; F76-F96 HydrophobicContact CZ-CB 4.42Å; F76-F96 HydrophobicContact CZ-CD1 4.02Å; F76-F96 HydrophobicContact CZ-CD2 4.07Å; F76-F96 HydrophobicContact CZ-CE1 4.37Å; F76-F96 HydrophobicContact CZ-CE2 4.45Å; F76-F96 AromaticContact CZ-CG 3.89Å; F76-F96 HydrophobicContact CZ-CG 3.89Å; G92-F96 WeakPolarHBondContact O-CB 3.5Å; G92-F96 PolarHBondContact O-N 3.4Å; L93-F96 PolarHBondContact O-N 3.29Å; F96-Y107 HydrophobicContact CD2-CE1 4.36Å; F96-Y107 HydrophobicContact CE2-CD1 4.5Å; F96-Y107 AromaticContact CE2-CE1 3.56Å; F96-Y107 HydrophobicContact CE2-CE1 3.56Å; F96-Y107 HydrophobicContact CE2-CE2 4.41Å; F96-Y107 AromaticContact CE2-CZ 3.5Å; F96-Y107 VanDerWaalsContact CE2-CZ 3.5Å; F96-Y107 VanDerWaalsContact CE2-OH 3.23Å; F96-Y107 WeakPolarHBondContact CE2-OH 3.31Å; F96-Y107 HydrophobicContact CZ-CE1 4.48Å; F96-C187 WeakPolarHBondContact CE2-O 3.37Å; F96-C187 WeakPolarHBondContact CZ-O 3.29Å; F96-L188 HydrophobicContact CD2-CD2 4.05Å; F96-L188 HydrophobicContact CE2-CD2 3.95Å; F96-P189 HydrophobicContact CB-CG 4.23Å; F96-P189 HydrophobicContact CD1-CG 3.78Å; F96-P189 HydrophobicContact CE1-CG 4.32Å; F96-P189 HydrophobicContact CG-CG 4.12Å; F96-P189 WeakPolarHBondContact O-CG 3.43Å
97	L	94.5	Very high	95.4	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-89.9	-37.6	-173.5	-56.5	178.7	0	0	0	111.9	F20 F61 L93 L95 Q194 F197 E198	F20-L97 HydrophobicContact CE1-CD1 4.49Å; F20-L97 HydrophobicContact CZ-CB 4.31Å; F20-L97 HydrophobicContact CZ-CD1 4Å; F61-L97 HydrophobicContact CE1-CD2 4.01Å; F61-L97 HydrophobicContact CZ-CD2 4.32Å; L93-L97 HydrophobicContact CB-CD1 4.4Å; L93-L97 HydrophobicContact CD2-CD1 4.41Å; L93-L97 HydrophobicContact CD2-CG 4.5Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 WeakPolarHBondContact O-CG 3.39Å; L93-L97 PolarHBondContact O-N 3.39Å; L95-L97 PolarHBondContact O-N 2.81Å; L97-Q194 HydrophobicContact CD2-CB 4.26Å; L97-Q194 HydrophobicContact CD2-CG 4.08Å; L97-Q194 PolarHBondContact O-OE1 3.28Å; L97-F197 HydrophobicContact CD1-CD1 3.49Å; L97-F197 VanDerWaalsContact CD1-CD1 3.49Å; L97-F197 HydrophobicContact CD1-CE1 3.54Å; L97-F197 HydrophobicContact CD2-CD1 4.1Å; L97-F197 HydrophobicContact CG-CD1 4.46Å; L97-E198 HydrophobicContact CD1-CG 4.26Å
98	R	96.1	Very high	95.7	Very high	75 Å²	75	31.4 Å²	31.4	28%	0.283	15%	0.154	S	C	.	.	H	α-helix	trans	-137.2	10.7	-167.2	-61.2	-175.8	-175	174.3	-0.5	114.7	H19 F20 E24 S94 E198	H19-R98 HydrophobicContact CB-CB 3.62Å; H19-R98 WeakPolarHBondContact O-CD 3.48Å; H19-R98 PolarHBondContact O-NH1 2.98Å; F20-R98 HydrophobicContact CE1-CG 4.26Å; E24-R98 IonicContact OE1-CZ 3.21Å; E24-R98 IonicContact OE1-NH1 3.91Å; E24-R98 PolarHBondContact OE1-NH1 3.44Å; E24-R98 IonicContact OE1-NH2 2.82Å; E24-R98 PolarHBondContact OE1-NH2 3.35Å; E24-R98 IonicContact OE2-NH1 2.81Å; E24-R98 PolarHBondContact OE2-NH1 3.4Å; S94-R98 CarbonylContact O-C 3.43Å; S94-R98 PolarHBondContact O-N 3.48Å; R98-E198 WeakPolarHBondContact CG-OE1 3.42Å; R98-E198 IonicContact CZ-OE1 2.72Å; R98-E198 IonicContact CZ-OE2 3.9Å; R98-E198 IonicContact NE-OE1 2.76Å; R98-E198 PolarHBondContact NE-OE1 3Å; R98-E198 IonicContact NE-OE2 3.43Å; R98-E198 PolarHBondContact NE-OE2 3.24Å; R98-E198 IonicContact NH2-OE1 2.78Å; R98-E198 PolarHBondContact NH2-OE1 2.98Å; R98-E198 IonicContact NH2-OE2 3.06Å; R98-E198 PolarHBondContact NH2-OE2 2.87Å
99	G	96	Very high	95.8	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	15%	0.154	C	C	.	.			trans	-59.7	141.7	180	0	0	0	0	0	112.3	S94 L95 K104	S94-G99 PolarHBondContact O-N 3.21Å; S94-G99 VanDerWaalsContact O-N 3.17Å; L95-G99 VanDerWaalsContact O-CA 3.26Å; L95-G99 WeakPolarHBondContact O-CA 3.24Å; L95-G99 PolarHBondContact O-N 3.16Å; G99-K104 VanDerWaalsContact O-CE 3.23Å; G99-K104 WeakPolarHBondContact O-CE 3.43Å
100	S	96.1	Very high	95.8	Very high	46 Å²	46	35.8 Å²	35.8	32%	0.322	18%	0.175	S	C	.	.			trans	-65	164.7	171.3	76.6	0	0	0	0	110.8	E102 E103 K104	S100-E102 PolarHBondContact O-N 2.94Å; S100-E102 PolarHBondContact OG-N 3.28Å; S100-E103 PolarHBondContact N-OE2 3.38Å; S100-E103 PolarHBondContact O-N 2.97Å; S100-E103 VanDerWaalsContact O-N 3.16Å; S100-E103 PolarHBondContact OG-N 3.48Å; S100-E103 PolarHBondContact OG-OE2 2.79Å; S100-K104 WeakPolarHBondContact O-CB 3.41Å; S100-K104 WeakPolarHBondContact O-CG 3.39Å; S100-K104 PolarHBondContact O-N 2.77Å
101	L	96	Very high	95.8	Very high	60 Å²	60	35.8 Å²	35.8	31%	0.314	18%	0.175	S	C	.	.	H	α-helix	trans	-55.2	-38.1	173.9	-178.9	60.9	0	0	0	111.5	K104 M105 V174 T178 L181	L101-K104 PolarHBondContact O-N 3.31Å; L101-M105 HydrophobicContact CD1-CG 4.26Å; L101-M105 HydrophobicContact CG-CE 4.17Å; L101-M105 HydrophobicContact CG-CG 4.39Å; L101-M105 HydrophobicContact CG-SD 4.33Å; L101-M105 WeakPolarHBondContact O-CB 3.32Å; L101-M105 VanDerWaalsContact O-CG 3.29Å; L101-M105 WeakPolarHBondContact O-CG 3.42Å; L101-M105 PolarHBondContact O-N 2.84Å; L101-V174 HydrophobicContact CD1-CG1 4.27Å; L101-T178 HydrophobicContact CD1-CG2 4.29Å; L101-L181 HydrophobicContact CD1-CD1 4.4Å; L101-L181 HydrophobicContact CD1-CD2 4.16Å
102	E	96.7	Very high	95.9	Very high	105 Å²	105	31.6 Å²	31.6	49%	0.491	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-39.4	179.4	-62.3	176.9	164.9	0	0	112.8	S100 M105 K106 R175	S100-E102 PolarHBondContact O-N 2.94Å; S100-E102 PolarHBondContact OG-N 3.28Å; E102-M105 HydrophobicContact CG-CE 4.24Å; E102-K106 WeakPolarHBondContact O-CG 3.44Å; E102-K106 PolarHBondContact O-N 2.9Å; E102-R175 IonicContact OE1-NH2 3.08Å; E102-R175 PolarHBondContact OE1-NH2 2.95Å; E102-R175 VanDerWaalsContact OE1-NH2 3.12Å
103	E	96.3	Very high	96	Very high	36 Å²	36	31.6 Å²	31.6	17%	0.168	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-42.6	175.1	-69.5	172.7	136.2	0	0	110.7	K18 H19 L95 S100 K106 Y107	K18-E103 VanDerWaalsContact CD-OE1 3.28Å; K18-E103 WeakPolarHBondContact CD-OE1 3.35Å; K18-E103 IonicContact NZ-OE1 2.78Å; K18-E103 PolarHBondContact NZ-OE1 3.19Å; H19-E103 IonicContact CD2-OE2 3.48Å; H19-E103 IonicContact CE1-OE2 3.52Å; H19-E103 PolarHBondContact CE1-OE2 2.92Å; H19-E103 IonicContact NE2-OE1 2.82Å; H19-E103 IonicContact NE2-OE2 3.57Å; H19-E103 PolarHBondContact NE2-OE2 2.84Å; L95-E103 HydrophobicContact CD1-CB 4.04Å; L95-E103 HydrophobicContact CG-CB 4.36Å; S100-E103 PolarHBondContact N-OE2 3.38Å; S100-E103 PolarHBondContact O-N 2.97Å; S100-E103 VanDerWaalsContact O-N 3.16Å; S100-E103 PolarHBondContact OG-N 3.48Å; S100-E103 PolarHBondContact OG-OE2 2.79Å; E103-K106 PolarHBondContact O-N 3.12Å; E103-Y107 WeakPolarHBondContact O-CB 3.41Å; E103-Y107 PolarHBondContact O-N 3.42Å
104	K	97.4	Very high	95.9	Very high	40 Å²	40	33.6 Å²	33.6	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.2	-72.2	176.1	173.3	-179.6	0	112.2	G99 S100 L101 K106 Y107 C108 L181 L188	G99-K104 VanDerWaalsContact O-CE 3.23Å; G99-K104 WeakPolarHBondContact O-CE 3.43Å; S100-K104 WeakPolarHBondContact O-CB 3.41Å; S100-K104 WeakPolarHBondContact O-CG 3.39Å; S100-K104 PolarHBondContact O-N 2.77Å; L101-K104 PolarHBondContact O-N 3.31Å; K104-K106 PolarHBondContact O-N 3.26Å; K104-Y107 PolarHBondContact O-N 3.4Å; K104-C108 WeakPolarHBondContact O-CB 3.46Å; K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.11Å; K104-L181 HydrophobicContact CB-CD1 4.2Å; K104-L181 HydrophobicContact CB-CD2 4.16Å; K104-L181 HydrophobicContact CD-CD2 4.48Å; K104-L188 HydrophobicContact CB-CD1 4.13Å; K104-L188 HydrophobicContact CD-CD1 3.9Å; K104-L188 HydrophobicContact CG-CD1 3.97Å
105	M	98.1	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-48.3	176.5	-77.5	-174.8	-58.7	0	0	111.6	L101 E102 Y107 F109 F167 Y170 E171 V174 R175 L181	L101-M105 HydrophobicContact CD1-CG 4.26Å; L101-M105 HydrophobicContact CG-CE 4.17Å; L101-M105 HydrophobicContact CG-CG 4.39Å; L101-M105 HydrophobicContact CG-SD 4.33Å; L101-M105 WeakPolarHBondContact O-CB 3.32Å; L101-M105 VanDerWaalsContact O-CG 3.29Å; L101-M105 WeakPolarHBondContact O-CG 3.42Å; L101-M105 PolarHBondContact O-N 2.84Å; E102-M105 HydrophobicContact CG-CE 4.24Å; M105-Y107 VanDerWaalsContact C-N 3.34Å; M105-Y107 PolarHBondContact O-N 2.75Å; M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 PolarHBondContact O-N 3.16Å; M105-F167 HydrophobicContact CB-CE2 4.49Å; M105-Y170 HydrophobicContact CB-CE1 4.15Å; M105-Y170 HydrophobicContact CG-CE1 4.36Å; M105-Y170 WeakPolarHBondContact O-CE1 3.38Å; M105-E171 HydrophobicContact CE-CG 3.94Å; M105-E171 HydrophobicContact SD-CB 4.44Å; M105-E171 HydrophobicContact SD-CG 4.04Å; M105-V174 HydrophobicContact CG-CB 4.22Å; M105-V174 HydrophobicContact CG-CG1 3.73Å; M105-V174 HydrophobicContact SD-CB 3.83Å; M105-V174 HydrophobicContact SD-CG1 3.68Å; M105-R175 HydrophobicContact CE-CG 4.29Å; M105-R175 HydrophobicContact SD-CG 4.24Å; M105-L181 HydrophobicContact CB-CD1 4.48Å; M105-L181 HydrophobicContact CG-CD1 3.85Å
106	K	96.8	Very high	95.8	Very high	118 Å²	118	39.3 Å²	39.3	51%	0.513	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-45.5	177.2	-70.9	175.8	-177.2	-179.3	0	111.9	E102 E103 K104 F109 E110 F167	E102-K106 WeakPolarHBondContact O-CG 3.44Å; E102-K106 PolarHBondContact O-N 2.9Å; E103-K106 PolarHBondContact O-N 3.12Å; K104-K106 PolarHBondContact O-N 3.26Å; K106-F109 PolarHBondContact O-N 3.13Å; K106-E110 WeakPolarHBondContact O-CG 3.25Å; K106-E110 PolarHBondContact O-N 2.96Å; K106-F167 HydrophobicContact CB-CE2 4.39Å; K106-F167 HydrophobicContact CG-CE1 4.46Å; K106-F167 HydrophobicContact CG-CE2 3.78Å; K106-F167 HydrophobicContact CG-CZ 3.55Å
107	Y	96.7	Very high	96	Very high	8 Å²	8	43.4 Å²	43.4	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-48.3	179.9	175.7	-90.6	0	0	0	113.1	V72 L95 F96 E103 K104 M105 F109 E110 V111 L188	V72-Y107 WeakPolarHBondContact CA-OH 3.4Å; V72-Y107 WeakPolarHBondContact CG1-OH 3.3Å; L95-Y107 HydrophobicContact CD1-CD2 4.17Å; L95-Y107 HydrophobicContact CD1-CG 4.12Å; L95-Y107 HydrophobicContact CD2-CD1 3.84Å; L95-Y107 HydrophobicContact CD2-CD2 3.86Å; L95-Y107 HydrophobicContact CD2-CE1 4.5Å; L95-Y107 HydrophobicContact CD2-CE2 4.49Å; L95-Y107 HydrophobicContact CD2-CG 3.49Å; L95-Y107 VanDerWaalsContact CD2-CG 3.49Å; L95-Y107 HydrophobicContact CG-CG 4.48Å; F96-Y107 HydrophobicContact CD2-CE1 4.36Å; F96-Y107 HydrophobicContact CE2-CD1 4.5Å; F96-Y107 AromaticContact CE2-CE1 3.56Å; F96-Y107 HydrophobicContact CE2-CE1 3.56Å; F96-Y107 HydrophobicContact CE2-CE2 4.41Å; F96-Y107 AromaticContact CE2-CZ 3.5Å; F96-Y107 VanDerWaalsContact CE2-CZ 3.5Å; F96-Y107 VanDerWaalsContact CE2-OH 3.23Å; F96-Y107 WeakPolarHBondContact CE2-OH 3.31Å; F96-Y107 HydrophobicContact CZ-CE1 4.48Å; E103-Y107 WeakPolarHBondContact O-CB 3.41Å; E103-Y107 PolarHBondContact O-N 3.42Å; K104-Y107 PolarHBondContact O-N 3.4Å; M105-Y107 VanDerWaalsContact C-N 3.34Å; M105-Y107 PolarHBondContact O-N 2.75Å; Y107-F109 VanDerWaalsContact C-N 3.28Å; Y107-F109 PolarHBondContact O-N 3.41Å; Y107-E110 PolarHBondContact O-N 3.21Å; Y107-V111 HydrophobicContact CD1-CG2 4.26Å; Y107-V111 HydrophobicContact CE1-CG2 3.69Å; Y107-V111 HydrophobicContact CE2-CG2 4.39Å; Y107-V111 WeakPolarHBondContact O-CG2 3.47Å; Y107-V111 PolarHBondContact O-N 2.78Å; Y107-L188 HydrophobicContact CD1-CD2 3.9Å; Y107-L188 HydrophobicContact CE1-CD2 4.03Å
108	C	97.2	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-41.9	177.7	-67.2	0	0	0	0	110.6	K104 E110 V111 F112 Y170 L181	K104-C108 WeakPolarHBondContact O-CB 3.46Å; K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.11Å; C108-E110 PolarHBondContact O-N 3.08Å; C108-V111 WeakPolarHBondContact O-CB 3.36Å; C108-V111 PolarHBondContact O-N 3.04Å; C108-V111 VanDerWaalsContact O-N 3.1Å; C108-F112 HydrophobicContact CB-CD2 4.3Å; C108-F112 HydrophobicContact CB-CE2 3.75Å; C108-F112 HydrophobicContact CB-CZ 4.19Å; C108-F112 WeakPolarHBondContact O-CD2 3.47Å; C108-F112 WeakPolarHBondContact O-CG 3.2Å; C108-F112 PolarHBondContact O-N 3.01Å; C108-Y170 VanDerWaalsContact CB-OH 3.28Å; C108-Y170 WeakPolarHBondContact CB-OH 3.36Å; C108-L181 HydrophobicContact CB-CD1 4.36Å; C108-L181 WeakPolarHBondContact CB-O 3.49Å; C108-L181 PolarHBondContact SG-O 3Å; C108-L181 VanDerWaalsContact SG-O 3.4Å
109	F	97.3	Very high	96.2	Very high	12 Å²	12	44 Å²	44	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-47.8	175.6	-170.3	-89.3	0	0	0	112.1	M105 K106 Y107 V111 F112 D113 G118 I120 F167 Y170	M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 PolarHBondContact O-N 3.16Å; K106-F109 PolarHBondContact O-N 3.13Å; Y107-F109 VanDerWaalsContact C-N 3.28Å; Y107-F109 PolarHBondContact O-N 3.41Å; F109-V111 PolarHBondContact O-N 3.12Å; F109-F112 PolarHBondContact O-N 3.46Å; F109-F112 VanDerWaalsContact O-N 3.09Å; F109-D113 HydrophobicContact CE1-CB 4.28Å; F109-D113 WeakPolarHBondContact O-CB 3.29Å; F109-D113 PolarHBondContact O-N 2.81Å; F109-G118 WeakPolarHBondContact CZ-O 3.28Å; F109-I120 HydrophobicContact CD2-CD1 3.63Å; F109-I120 HydrophobicContact CD2-CG1 4.16Å; F109-I120 HydrophobicContact CE2-CD1 3.66Å; F109-I120 HydrophobicContact CE2-CG1 3.77Å; F109-I120 HydrophobicContact CG-CD1 4.46Å; F109-I120 HydrophobicContact CZ-CD1 4.49Å; F109-I120 HydrophobicContact CZ-CG1 4.16Å; F109-F167 HydrophobicContact CB-CD2 3.87Å; F109-F167 HydrophobicContact CB-CE2 4.25Å; F109-F167 HydrophobicContact CD1-CB 4.34Å; F109-F167 HydrophobicContact CD1-CD2 4.06Å; F109-F167 HydrophobicContact CD2-CB 4.43Å; F109-F167 HydrophobicContact CD2-CD2 4.05Å; F109-F167 HydrophobicContact CE1-CB 4.15Å; F109-F167 HydrophobicContact CE2-CB 4.23Å; F109-F167 HydrophobicContact CG-CB 4.49Å; F109-F167 AromaticContact CG-CD2 3.71Å; F109-F167 HydrophobicContact CG-CD2 3.71Å; F109-F167 HydrophobicContact CZ-CB 4.09Å; F109-Y170 HydrophobicContact CB-CD1 4.15Å; F109-Y170 HydrophobicContact CB-CE1 4.21Å; F109-Y170 AromaticContact CD2-CD1 3.89Å; F109-Y170 HydrophobicContact CD2-CD1 3.89Å; F109-Y170 HydrophobicContact CD2-CD2 4.4Å; F109-Y170 AromaticContact CD2-CG 3.76Å; F109-Y170 HydrophobicContact CD2-CG 3.76Å; F109-Y170 HydrophobicContact CE2-CG 4.47Å; F109-Y170 HydrophobicContact CG-CD1 4.48Å
110	E	95.1	Very high	96.3	Very high	94 Å²	94	43.6 Å²	43.6	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-33.8	173.9	-73.3	174.6	-165.6	0	0	112.6	R71 K78 K106 Y107 C108	R71-E110 PolarHBondContact NH2-O 3.01Å; K78-E110 IonicContact NZ-OE2 2.75Å; K78-E110 PolarHBondContact NZ-OE2 3.23Å; K106-E110 WeakPolarHBondContact O-CG 3.25Å; K106-E110 PolarHBondContact O-N 2.96Å; Y107-E110 PolarHBondContact O-N 3.21Å; C108-E110 PolarHBondContact O-N 3.08Å
111	V	95.3	Very high	96.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-39.3	175.8	161.6	0	0	0	0	111.3	R71 Y107 C108 F109 C187	R71-V111 HydrophobicContact CB-CB 4.34Å; R71-V111 HydrophobicContact CB-CG1 3.68Å; R71-V111 HydrophobicContact CB-CG2 4.42Å; R71-V111 HydrophobicContact CG-CG1 4.48Å; R71-V111 PolarHBondContact NE-O 2.83Å; Y107-V111 HydrophobicContact CD1-CG2 4.26Å; Y107-V111 HydrophobicContact CE1-CG2 3.69Å; Y107-V111 HydrophobicContact CE2-CG2 4.39Å; Y107-V111 WeakPolarHBondContact O-CG2 3.47Å; Y107-V111 PolarHBondContact O-N 2.78Å; C108-V111 WeakPolarHBondContact O-CB 3.36Å; C108-V111 PolarHBondContact O-N 3.04Å; C108-V111 VanDerWaalsContact O-N 3.1Å; F109-V111 PolarHBondContact O-N 3.12Å; V111-C187 HydrophobicContact CB-CB 4.5Å; V111-C187 HydrophobicContact CG1-CB 3.7Å
112	F	95.6	Very high	96.4	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-83.6	-32	-175.2	-57.4	-30.8	0	0	0	114.4	C108 F109 L114 I120 M128 Y170 F184	C108-F112 HydrophobicContact CB-CD2 4.3Å; C108-F112 HydrophobicContact CB-CE2 3.75Å; C108-F112 HydrophobicContact CB-CZ 4.19Å; C108-F112 WeakPolarHBondContact O-CD2 3.47Å; C108-F112 WeakPolarHBondContact O-CG 3.2Å; C108-F112 PolarHBondContact O-N 3.01Å; F109-F112 PolarHBondContact O-N 3.46Å; F109-F112 VanDerWaalsContact O-N 3.09Å; F112-L114 PolarHBondContact O-N 3.28Å; F112-L114 VanDerWaalsContact O-N 3.08Å; F112-I120 HydrophobicContact CB-CD1 3.6Å; F112-I120 HydrophobicContact CB-CG1 4.06Å; F112-I120 HydrophobicContact CD2-CD1 4.28Å; F112-I120 HydrophobicContact CG-CD1 4.44Å; F112-M128 HydrophobicContact CD1-CE 3.59Å; F112-M128 HydrophobicContact CE1-CE 4Å; F112-Y170 HydrophobicContact CD2-CE2 4.3Å; F112-Y170 HydrophobicContact CE2-CE2 4.32Å; F112-F184 HydrophobicContact CB-CD2 4.18Å; F112-F184 HydrophobicContact CD1-CB 3.98Å; F112-F184 HydrophobicContact CD1-CD2 4.34Å; F112-F184 AromaticContact CD2-CD2 3.51Å; F112-F184 HydrophobicContact CD2-CD2 3.51Å; F112-F184 HydrophobicContact CD2-CE2 4.24Å; F112-F184 HydrophobicContact CD2-CG 4.49Å; F112-F184 HydrophobicContact CE1-CB 4Å; F112-F184 AromaticContact CE2-CD2 3.87Å; F112-F184 HydrophobicContact CE2-CD2 3.87Å; F112-F184 HydrophobicContact CG-CB 4.25Å; F112-F184 AromaticContact CG-CD2 3.76Å; F112-F184 HydrophobicContact CG-CD2 3.76Å; F112-F184 HydrophobicContact CG-CG 4.45Å; F112-F184 HydrophobicContact CZ-CB 4.28Å; F112-F184 HydrophobicContact CZ-CD2 4.43Å
113	D	96.2	Very high	96.4	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	24%	0.237	C	C	.	.			trans	-72.7	92.9	172.1	175.3	1.2	0	0	0	109.5	R71 F109 N115 G116 D117 G118 I120	R71-D113 PolarHBondContact NH2-O 3.46Å; F109-D113 HydrophobicContact CE1-CB 4.28Å; F109-D113 WeakPolarHBondContact O-CB 3.29Å; F109-D113 PolarHBondContact O-N 2.81Å; D113-N115 PolarHBondContact OD1-OD1 3.32Å; D113-N115 VanDerWaalsContact OD1-OD1 3.08Å; D113-G116 WeakPolarHBondContact OD1-CA 3.37Å; D113-G116 PolarHBondContact OD1-N 3.15Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; D113-D117 PolarHBondContact OD1-N 3.49Å; D113-D117 PolarHBondContact OD2-N 3.4Å; D113-G118 WeakPolarHBondContact OD2-CA 3.3Å; D113-G118 PolarHBondContact OD2-N 2.82Å; D113-I120 HydrophobicContact CB-CG1 4.48Å
114	L	93.4	Very high	96.4	Very high	42 Å²	42	43 Å²	43	22%	0.22	23%	0.231	C	C	.	.	S	Bend	trans	-72	-37.5	-167.7	-57.1	-175.9	0	0	0	112	M67 R71 F112 E124 M128	M67-L114 HydrophobicContact CE-CD1 3.26Å; M67-L114 HydrophobicContact CE-CD2 3.75Å; M67-L114 HydrophobicContact CE-CG 4.17Å; R71-L114 HydrophobicContact CG-CD2 4.21Å; R71-L114 PolarHBondContact NH1-O 3.05Å; F112-L114 PolarHBondContact O-N 3.28Å; F112-L114 VanDerWaalsContact O-N 3.08Å; L114-E124 WeakPolarHBondContact CA-OE1 3.27Å; L114-E124 HydrophobicContact CB-CG 3.92Å; L114-E124 WeakPolarHBondContact CB-OE1 3.06Å; L114-E124 HydrophobicContact CD1-CB 4.1Å; L114-E124 HydrophobicContact CD1-CG 3.84Å; L114-E124 HydrophobicContact CG-CB 4.07Å; L114-E124 HydrophobicContact CG-CG 3.77Å; L114-E124 PolarHBondContact N-OE1 3.28Å; L114-M128 HydrophobicContact CD2-CG 4.38Å; L114-M128 HydrophobicContact CD2-SD 3.83Å
115	N	94.1	Very high	96.3	Very high	101 Å²	101	41.1 Å²	41.1	54%	0.54	22%	0.223	S	C	.	.	S	Bend	trans	-91.4	-13.6	-176.8	74.2	12.4	0	0	0	113.4	D113 D117 E124	D113-N115 PolarHBondContact OD1-OD1 3.32Å; D113-N115 VanDerWaalsContact OD1-OD1 3.08Å; N115-D117 PolarHBondContact ND2-OD2 2.87Å; N115-D117 WeakPolarHBondContact OD1-CB 3.38Å; N115-D117 PolarHBondContact OD1-N 3.04Å; N115-D117 PolarHBondContact OD1-OD1 3.19Å; N115-D117 PolarHBondContact OD1-OD2 3.01Å; N115-E124 PolarHBondContact N-OE1 3.3Å
116	G	94.1	Very high	96	Very high	60 Å²	60	42.9 Å²	42.9	62%	0.619	23%	0.231	S	C	*	.			trans	76.1	25	178.9	0	0	0	0	0	114	D113 G118	D113-G116 WeakPolarHBondContact OD1-CA 3.37Å; D113-G116 PolarHBondContact OD1-N 3.15Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; G116-G118 VanDerWaalsContact C-N 3.28Å
117	D	96.8	Very high	95.8	Very high	86 Å²	86	42.4 Å²	42.4	46%	0.46	23%	0.23	S	C	.	.	S	Bend	trans	-84.6	-2.5	-177.9	75.6	17.5	0	0	0	113.7	D113 N115 F119	D113-D117 PolarHBondContact OD1-N 3.49Å; D113-D117 PolarHBondContact OD2-N 3.4Å; N115-D117 PolarHBondContact ND2-OD2 2.87Å; N115-D117 WeakPolarHBondContact OD1-CB 3.38Å; N115-D117 PolarHBondContact OD1-N 3.04Å; N115-D117 PolarHBondContact OD1-OD1 3.19Å; N115-D117 PolarHBondContact OD1-OD2 3.01Å; D117-F119 WeakPolarHBondContact OD1-CA 3.29Å; D117-F119 WeakPolarHBondContact OD1-CB 3.44Å; D117-F119 PolarHBondContact OD1-N 3.3Å
118	G	97.2	Very high	95.5	Very high	33 Å²	33	42.1 Å²	42.1	34%	0.34	23%	0.229	S	C	.	.	S	Bend	trans	88.8	7.9	-179.5	0	0	0	0	0	113.9	F109 D113 G116	F109-G118 WeakPolarHBondContact CZ-O 3.28Å; D113-G118 WeakPolarHBondContact OD2-CA 3.3Å; D113-G118 PolarHBondContact OD2-N 2.82Å; G116-G118 VanDerWaalsContact C-N 3.28Å
119	F	98.1	Very high	95.1	Very high	61 Å²	61	42.7 Å²	42.7	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.6	176.8	-57.9	-92.8	0	0	0	111.2	D117 K164 L165	D117-F119 WeakPolarHBondContact OD1-CA 3.29Å; D117-F119 WeakPolarHBondContact OD1-CB 3.44Å; D117-F119 PolarHBondContact OD1-N 3.3Å; F119-K164 HydrophobicContact CB-CB 4.42Å; F119-K164 HydrophobicContact CB-CD 3.8Å; F119-K164 HydrophobicContact CB-CG 4.36Å; F119-K164 HydrophobicContact CD1-CD 3.56Å; F119-K164 HydrophobicContact CD1-CG 3.95Å; F119-K164 HydrophobicContact CD2-CD 4.42Å; F119-K164 HydrophobicContact CE1-CD 4.23Å; F119-K164 VanDerWaalsContact CE1-NZ 3.29Å; F119-K164 HydrophobicContact CG-CD 3.67Å; F119-K164 HydrophobicContact CG-CG 4.39Å; F119-K164 VanDerWaalsContact CZ-NZ 3.3Å; F119-L165 CarbonylContact C-O 3.19Å; F119-L165 VanDerWaalsContact CA-O 3.26Å; F119-L165 WeakPolarHBondContact CA-O 3.49Å
120	I	98.1	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.8	166.8	-53.7	166.7	0	0	0	107.2	F109 F112 D113 E124 M125 L165 Y170 F184	F109-I120 HydrophobicContact CD2-CD1 3.63Å; F109-I120 HydrophobicContact CD2-CG1 4.16Å; F109-I120 HydrophobicContact CE2-CD1 3.66Å; F109-I120 HydrophobicContact CE2-CG1 3.77Å; F109-I120 HydrophobicContact CG-CD1 4.46Å; F109-I120 HydrophobicContact CZ-CD1 4.49Å; F109-I120 HydrophobicContact CZ-CG1 4.16Å; F112-I120 HydrophobicContact CB-CD1 3.6Å; F112-I120 HydrophobicContact CB-CG1 4.06Å; F112-I120 HydrophobicContact CD2-CD1 4.28Å; F112-I120 HydrophobicContact CG-CD1 4.44Å; D113-I120 HydrophobicContact CB-CG1 4.48Å; I120-E124 HydrophobicContact CG2-CB 4.31Å; I120-M125 HydrophobicContact CB-CE 4.45Å; I120-M125 HydrophobicContact CG2-CE 4.13Å; I120-M125 HydrophobicContact CG2-CG 3.71Å; I120-M125 WeakPolarHBondContact O-CE 3.32Å; I120-L165 HydrophobicContact CB-CB 4.23Å; I120-L165 PolarHBondContact N-O 3.41Å; I120-L165 PolarHBondContact O-N 2.91Å; I120-Y170 HydrophobicContact CD1-CD2 4.48Å; I120-F184 HydrophobicContact CD1-CD2 4.5Å; I120-F184 HydrophobicContact CD1-CE2 4Å; I120-F184 HydrophobicContact CG2-CE2 4.34Å; I120-F184 HydrophobicContact CG2-CZ 4.45Å
121	S	98	Very high	93.7	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.161	24%	0.241	C	C	.	.			trans	-78.8	161.1	179.1	62.1	0	0	0	0	112.8	E123 E124 M125	S121-E123 PolarHBondContact O-N 3.12Å; S121-E124 WeakPolarHBondContact CB-OE2 3.27Å; S121-E124 PolarHBondContact N-OE2 3.48Å; S121-E124 PolarHBondContact O-N 2.91Å; S121-E124 VanDerWaalsContact O-N 3.09Å; S121-E124 VanDerWaalsContact OG-CD 3.22Å; S121-E124 WeakPolarHBondContact OG-CG 3.48Å; S121-E124 PolarHBondContact OG-N 3.29Å; S121-E124 PolarHBondContact OG-OE2 2.95Å; S121-M125 WeakPolarHBondContact O-CG 3.41Å; S121-M125 PolarHBondContact O-N 3.26Å
122	K	96.7	Very high	92.7	Very high	73 Å²	73	45.9 Å²	45.9	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-52.6	-41.9	173.4	-74.9	-173.4	-174.8	-142.4	0	112	E124 M125 F126 V150 E151 L154	K122-E124 VanDerWaalsContact C-N 3.35Å; K122-M125 PolarHBondContact O-N 2.83Å; K122-F126 WeakPolarHBondContact O-CB 3.37Å; K122-F126 PolarHBondContact O-N 3.05Å; K122-V150 HydrophobicContact CB-CG1 4.19Å; K122-V150 HydrophobicContact CG-CG1 4.09Å; K122-E151 IonicContact NZ-OE1 2.97Å; K122-E151 PolarHBondContact NZ-OE1 3.3Å; K122-E151 IonicContact NZ-OE2 2.71Å; K122-E151 PolarHBondContact NZ-OE2 2.93Å; K122-L154 HydrophobicContact CD-CD1 3.98Å; K122-L154 HydrophobicContact CG-CD1 3.64Å
123	E	95.9	Very high	91.6	Very high	127 Å²	127	50.2 Å²	50.2	59%	0.593	28%	0.275	S	S	*	.	H	α-helix	trans	-62.8	-42.6	179.6	-68.2	72.2	-161.4	0	0	111.2	S121 F126 H127	S121-E123 PolarHBondContact O-N 3.12Å; E123-F126 PolarHBondContact O-N 3.19Å; E123-H127 PolarHBondContact O-N 2.58Å; E123-H127 PolarHBondContact O-ND1 2.72Å
124	E	95.9	Very high	90	Very high	11 Å²	11	52.9 Å²	52.9	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-44	177.9	-69.3	166.1	136.9	0	0	111.5	L114 N115 I120 S121 K122 F126 H127 M128	L114-E124 WeakPolarHBondContact CA-OE1 3.27Å; L114-E124 HydrophobicContact CB-CG 3.92Å; L114-E124 WeakPolarHBondContact CB-OE1 3.06Å; L114-E124 HydrophobicContact CD1-CB 4.1Å; L114-E124 HydrophobicContact CD1-CG 3.84Å; L114-E124 HydrophobicContact CG-CB 4.07Å; L114-E124 HydrophobicContact CG-CG 3.77Å; L114-E124 PolarHBondContact N-OE1 3.28Å; N115-E124 PolarHBondContact N-OE1 3.3Å; I120-E124 HydrophobicContact CG2-CB 4.31Å; S121-E124 WeakPolarHBondContact CB-OE2 3.27Å; S121-E124 PolarHBondContact N-OE2 3.48Å; S121-E124 PolarHBondContact O-N 2.91Å; S121-E124 VanDerWaalsContact O-N 3.09Å; S121-E124 VanDerWaalsContact OG-CD 3.22Å; S121-E124 WeakPolarHBondContact OG-CG 3.48Å; S121-E124 PolarHBondContact OG-N 3.29Å; S121-E124 PolarHBondContact OG-OE2 2.95Å; K122-E124 VanDerWaalsContact C-N 3.35Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.06Å; E124-H127 PolarHBondContact O-N 2.92Å; E124-M128 WeakPolarHBondContact O-CB 3.27Å; E124-M128 WeakPolarHBondContact O-CG 3.37Å; E124-M128 PolarHBondContact O-N 3.01Å
125	M	95.1	Very high	88.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-47.7	173.4	-60.8	-178.3	-156.2	0	0	111.1	I120 S121 K122 H127 M128 L129 V150 T153 L154 L165 F184	I120-M125 HydrophobicContact CB-CE 4.45Å; I120-M125 HydrophobicContact CG2-CE 4.13Å; I120-M125 HydrophobicContact CG2-CG 3.71Å; I120-M125 WeakPolarHBondContact O-CE 3.32Å; S121-M125 WeakPolarHBondContact O-CG 3.41Å; S121-M125 PolarHBondContact O-N 3.26Å; K122-M125 PolarHBondContact O-N 2.83Å; M125-H127 PolarHBondContact O-N 2.9Å; M125-M128 PolarHBondContact O-N 3.37Å; M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 VanDerWaalsContact O-CG 3.25Å; M125-L129 WeakPolarHBondContact O-CG 3.45Å; M125-L129 PolarHBondContact O-N 2.87Å; M125-V150 HydrophobicContact CB-CG1 4.3Å; M125-V150 HydrophobicContact CB-CG2 3.91Å; M125-V150 HydrophobicContact SD-CG1 4.16Å; M125-T153 HydrophobicContact SD-CG2 4.23Å; M125-L154 HydrophobicContact CE-CD2 3.68Å; M125-L154 HydrophobicContact CE-CG 4.15Å; M125-L154 HydrophobicContact SD-CD2 4.39Å; M125-L154 HydrophobicContact SD-CG 4.21Å; M125-L165 HydrophobicContact CE-CB 4.42Å; M125-L165 HydrophobicContact CE-CD1 3.63Å; M125-L165 HydrophobicContact CE-CG 3.53Å; M125-F184 HydrophobicContact CB-CD1 4.06Å; M125-F184 HydrophobicContact CB-CE1 3.78Å; M125-F184 HydrophobicContact CE-CZ 4.43Å; M125-F184 HydrophobicContact CG-CD1 4.02Å; M125-F184 HydrophobicContact CG-CE1 3.36Å; M125-F184 HydrophobicContact CG-CZ 3.78Å; M125-F184 HydrophobicContact SD-CE1 3.75Å; M125-F184 HydrophobicContact SD-CZ 3.99Å
126	F	93.3	Very high	86.2	Confident	38 Å²	38	59.7 Å²	59.7	17%	0.167	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-48.6	179.7	-178	-88.3	0	0	0	111.4	K122 E123 E124 M128 K130 D143 I146 K147 V150	K122-F126 WeakPolarHBondContact O-CB 3.37Å; K122-F126 PolarHBondContact O-N 3.05Å; E123-F126 PolarHBondContact O-N 3.19Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.06Å; F126-M128 VanDerWaalsContact C-N 3.35Å; F126-M128 PolarHBondContact O-N 3.22Å; F126-K130 HydrophobicContact CE1-CD 3.7Å; F126-K130 HydrophobicContact CZ-CD 4.08Å; F126-K130 WeakPolarHBondContact O-CB 3.37Å; F126-K130 PolarHBondContact O-N 3.02Å; F126-D143 HydrophobicContact CE2-CB 4.4Å; F126-D143 HydrophobicContact CZ-CB 4.05Å; F126-I146 HydrophobicContact CD2-CB 4.07Å; F126-I146 HydrophobicContact CD2-CG2 3.45Å; F126-I146 VanDerWaalsContact CD2-CG2 3.45Å; F126-I146 HydrophobicContact CE2-CB 3.82Å; F126-I146 HydrophobicContact CE2-CG2 3.7Å; F126-I146 HydrophobicContact CG-CG2 4.06Å; F126-I146 HydrophobicContact CZ-CG2 4.5Å; F126-K147 HydrophobicContact CD2-CG 4.25Å; F126-K147 HydrophobicContact CE2-CG 4Å; F126-V150 HydrophobicContact CB-CG2 4.14Å
127	H	91.1	Very high	84.1	Confident	107 Å²	107	63.4 Å²	63.4	50%	0.495	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-42.3	-179.7	-79.2	77.9	0	0	0	112.4	M67 E123 E124 M125 N131	M67-H127 HydrophobicContact CE-CB 4.13Å; E123-H127 PolarHBondContact O-N 2.58Å; E123-H127 PolarHBondContact O-ND1 2.72Å; E124-H127 PolarHBondContact O-N 2.92Å; M125-H127 PolarHBondContact O-N 2.9Å; H127-N131 PolarHBondContact O-N 3.28Å
128	M	90.3	Very high	82.3	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-47.7	-178.8	-68.4	-70	-65.1	0	0	111.8	M67 I68 F112 L114 E124 M125 F126 K130 N131 S132 F184	M67-M128 HydrophobicContact CE-CG 4.05Å; M67-M128 HydrophobicContact CE-SD 3.34Å; M67-M128 WeakPolarHBondContact CE-SD 3.46Å; M67-M128 HydrophobicContact CG-SD 4.13Å; M67-M128 HydrophobicContact SD-SD 3.6Å; I68-M128 HydrophobicContact CD1-CE 3.32Å; F112-M128 HydrophobicContact CD1-CE 3.59Å; F112-M128 HydrophobicContact CE1-CE 4Å; L114-M128 HydrophobicContact CD2-CG 4.38Å; L114-M128 HydrophobicContact CD2-SD 3.83Å; E124-M128 WeakPolarHBondContact O-CB 3.27Å; E124-M128 WeakPolarHBondContact O-CG 3.37Å; E124-M128 PolarHBondContact O-N 3.01Å; M125-M128 PolarHBondContact O-N 3.37Å; F126-M128 VanDerWaalsContact C-N 3.35Å; F126-M128 PolarHBondContact O-N 3.22Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 3.11Å; M128-N131 PolarHBondContact O-N 2.88Å; M128-S132 WeakPolarHBondContact O-CB 3.49Å; M128-S132 PolarHBondContact O-N 3.39Å; M128-S132 VanDerWaalsContact O-N 3.07Å; M128-F184 HydrophobicContact CB-CB 3.93Å
129	L	88.8	Confident	80.4	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-40	177.9	-70.3	172	0	0	0	111.9	M125 N131 S132 L133 I146 L149 V150 F184	M125-L129 WeakPolarHBondContact O-CB 3.1Å; M125-L129 VanDerWaalsContact O-CG 3.25Å; M125-L129 WeakPolarHBondContact O-CG 3.45Å; M125-L129 PolarHBondContact O-N 2.87Å; L129-N131 PolarHBondContact O-N 2.77Å; L129-S132 PolarHBondContact O-N 3.27Å; L129-L133 HydrophobicContact CB-CD1 4.46Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.16Å; L129-I146 HydrophobicContact CB-CD1 4.28Å; L129-I146 HydrophobicContact CB-CG2 3.86Å; L129-L149 HydrophobicContact CD1-CB 4.08Å; L129-V150 HydrophobicContact CD1-CG2 3.94Å; L129-F184 HydrophobicContact CD1-CD1 4.43Å; L129-F184 HydrophobicContact CD2-CD1 4.39Å; L129-F184 HydrophobicContact CG-CD1 4.22Å
130	K	86	Confident	78.6	Confident	62 Å²	62	76.1 Å²	76.1	27%	0.27	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-45	177.8	-174.5	166.4	179.6	155.4	0	111.7	F126 M128 L134 D143	F126-K130 HydrophobicContact CE1-CD 3.7Å; F126-K130 HydrophobicContact CZ-CD 4.08Å; F126-K130 WeakPolarHBondContact O-CB 3.37Å; F126-K130 PolarHBondContact O-N 3.02Å; M128-K130 VanDerWaalsContact C-N 3.34Å; M128-K130 PolarHBondContact O-N 3.11Å; K130-L134 HydrophobicContact CD-CD1 4.21Å; K130-L134 HydrophobicContact CG-CD1 3.43Å; K130-L134 VanDerWaalsContact CG-CD1 3.43Å; K130-L134 HydrophobicContact CG-CG 4.22Å; K130-L134 WeakPolarHBondContact O-CB 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.41Å; K130-L134 PolarHBondContact O-N 3.37Å; K130-L134 VanDerWaalsContact O-N 3.07Å; K130-D143 WeakPolarHBondContact CE-OD1 3.44Å; K130-D143 VanDerWaalsContact NZ-CG 3.26Å; K130-D143 IonicContact NZ-OD1 2.71Å; K130-D143 PolarHBondContact NZ-OD1 3.33Å; K130-D143 IonicContact NZ-OD2 2.96Å; K130-D143 PolarHBondContact NZ-OD2 2.88Å
131	N	78.3	Confident	77.2	Confident	77 Å²	77	81 Å²	81	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-72.7	-35.6	179.9	-72.8	-20.6	0	0	0	112.9	M67 H127 M128 L129	M67-N131 HydrophobicContact SD-CB 4.41Å; M67-N131 PolarHBondContact SD-ND2 3.4Å; H127-N131 PolarHBondContact O-N 3.28Å; M128-N131 PolarHBondContact O-N 2.88Å; L129-N131 PolarHBondContact O-N 2.77Å
132	S	73.9	Confident	75.9	Confident	35 Å²	35	82.1 Å²	82.1	25%	0.245	42%	0.417	C	S	.	.	H	α-helix	trans	-68.9	-39.1	178.7	-172.5	0	0	0	0	112.7	D65 M128 L129	D65-S132 PolarHBondContact OD2-N 2.98Å; M128-S132 WeakPolarHBondContact O-CB 3.49Å; M128-S132 PolarHBondContact O-N 3.39Å; M128-S132 VanDerWaalsContact O-N 3.07Å; L129-S132 PolarHBondContact O-N 3.27Å
133	L	71.5	Confident	75.3	Confident	92 Å²	92	80.6 Å²	80.6	48%	0.482	41%	0.413	S	S	.	.	H	α-helix	trans	-95	-25.8	-171.9	-63.3	172.4	0	0	0	114	L129 K135 I146 L149	L129-L133 HydrophobicContact CB-CD1 4.46Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 3.16Å; L133-K135 PolarHBondContact O-N 3.18Å; L133-I146 HydrophobicContact CB-CD1 4.12Å; L133-I146 HydrophobicContact CD1-CD1 3.54Å; L133-I146 HydrophobicContact CG-CD1 4.39Å; L133-L149 HydrophobicContact CD1-CD1 3.4Å; L133-L149 VanDerWaalsContact CD1-CD1 3.4Å
134	L	62.8	Low	74.8	Confident	68 Å²	68	79.2 Å²	79.2	36%	0.356	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	74.2	-179.5	-60.2	-177.7	0	0	0	112.5	K130 P142	K130-L134 HydrophobicContact CD-CD1 4.21Å; K130-L134 HydrophobicContact CG-CD1 3.43Å; K130-L134 VanDerWaalsContact CG-CD1 3.43Å; K130-L134 HydrophobicContact CG-CG 4.22Å; K130-L134 WeakPolarHBondContact O-CB 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.41Å; K130-L134 PolarHBondContact O-N 3.37Å; K130-L134 VanDerWaalsContact O-N 3.07Å; L134-P142 HydrophobicContact CD1-CB 4.17Å; L134-P142 HydrophobicContact CD1-CG 4.34Å; L134-P142 HydrophobicContact CD2-CB 3.36Å; L134-P142 HydrophobicContact CD2-CG 4.16Å; L134-P142 HydrophobicContact CG-CB 4.39Å
135	K	55.9	Low	74.4	Confident	122 Å²	122	80.5 Å²	80.5	53%	0.53	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2.1	162.2	-70.8	-176.9	-179.4	164.4	0	113.7	T64 L133	T64-K135 PolarHBondContact OG1-NZ 3.21Å; L133-K135 PolarHBondContact O-N 3.18Å
136	Q	51.8	Low	74.2	Confident	163 Å²	163	80.8 Å²	80.8	76%	0.762	42%	0.424	S	S	*	.	S	Bend	trans	-130.2	133.2	174.7	-60.9	-149.8	0.7	0	0	111.4	S138	Q136-S138 PolarHBondContact O-N 3.44Å; Q136-S138 VanDerWaalsContact O-N 3.17Å
137	P	50.3	Low	74.2	Confident	138 Å²	138	83.4 Å²	83.4	90%	0.896	44%	0.435	S	S	*	.			trans	-68.8	110.7	172.8	27.1	-30.3	0	0	0	109.3
138	S	58.8	Low	74.2	Confident	71 Å²	71	83.3 Å²	83.3	50%	0.497	44%	0.438	S	S	.	.			trans	-89.8	153.6	166.8	58.3	0	0	0	0	110.8	Q136 E140	Q136-S138 PolarHBondContact O-N 3.44Å; Q136-S138 VanDerWaalsContact O-N 3.17Å; S138-E140 VanDerWaalsContact C-N 3.33Å; S138-E140 PolarHBondContact OG-O 2.89Å
139	E	56.9	Low	74.3	Confident	211 Å²	211	86.3 Å²	86.3	99%	0.986	45%	0.454	S	S	*	.	S	Bend	trans	-77.9	-16.6	175.5	-65.2	-175	163	0	0	113.1
140	E	61.7	Low	74.6	Confident	165 Å²	165	86 Å²	86	77%	0.771	45%	0.452	S	S	*	.	S	Bend	trans	-87.7	151.4	174	-67.1	179.6	173.2	0	0	111.2	S138 P142	S138-E140 VanDerWaalsContact C-N 3.33Å; S138-E140 PolarHBondContact OG-O 2.89Å; E140-P142 WeakPolarHBondContact O-CD 3.5Å
141	D	68.4	Low	75.1	Confident	104 Å²	104	87.7 Å²	87.7	56%	0.556	46%	0.461	S	S	*	.			trans	-59.9	105.2	175.4	-171.8	-12.5	0	0	0	108.9	D143 E144	D141-D143 PolarHBondContact O-N 3.23Å; D141-D143 WeakPolarHBondContact OD1-CB 3.34Å; D141-D143 PolarHBondContact OD1-N 3.39Å; D141-D143 VanDerWaalsContact OD1-N 3.16Å; D141-E144 PolarHBondContact O-N 3.36Å
142	P	71.5	Confident	75.9	Confident	46 Å²	46	89.1 Å²	89.1	30%	0.299	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-24.5	-174.1	21.9	-30.4	0	0	0	112	L134 E140 E144 G145 I146	L134-P142 HydrophobicContact CD1-CB 4.17Å; L134-P142 HydrophobicContact CD1-CG 4.34Å; L134-P142 HydrophobicContact CD2-CB 3.36Å; L134-P142 HydrophobicContact CD2-CG 4.16Å; L134-P142 HydrophobicContact CG-CB 4.39Å; E140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-E144 PolarHBondContact O-N 2.91Å; P142-G145 PolarHBondContact O-N 3.16Å; P142-I146 WeakPolarHBondContact O-CG1 3.33Å; P142-I146 PolarHBondContact O-N 3.23Å
143	D	83.6	Confident	76.9	Confident	42 Å²	42	88.4 Å²	88.4	23%	0.225	46%	0.462	C	S	.	.	H	α-helix	trans	-72.2	-30	-172.5	-71.6	3.9	0	0	0	112.3	F126 K130 D141 I146 K147	F126-D143 HydrophobicContact CE2-CB 4.4Å; F126-D143 HydrophobicContact CZ-CB 4.05Å; K130-D143 WeakPolarHBondContact CE-OD1 3.44Å; K130-D143 VanDerWaalsContact NZ-CG 3.26Å; K130-D143 IonicContact NZ-OD1 2.71Å; K130-D143 PolarHBondContact NZ-OD1 3.33Å; K130-D143 IonicContact NZ-OD2 2.96Å; K130-D143 PolarHBondContact NZ-OD2 2.88Å; D141-D143 PolarHBondContact O-N 3.23Å; D141-D143 WeakPolarHBondContact OD1-CB 3.34Å; D141-D143 PolarHBondContact OD1-N 3.39Å; D141-D143 VanDerWaalsContact OD1-N 3.16Å; D143-I146 PolarHBondContact O-N 2.97Å; D143-K147 VanDerWaalsContact O-CG 3.31Å; D143-K147 WeakPolarHBondContact O-CG 3.32Å; D143-K147 PolarHBondContact O-N 3.12Å
144	E	86	Confident	78.1	Confident	97 Å²	97	84.4 Å²	84.4	45%	0.453	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-42.5	175.3	-70.4	-57.8	133.9	0	0	111.6	D141 P142 I146 K147 D148	D141-E144 PolarHBondContact O-N 3.36Å; P142-E144 PolarHBondContact O-N 2.91Å; E144-I146 VanDerWaalsContact C-N 3.29Å; E144-I146 PolarHBondContact O-N 3.06Å; E144-K147 PolarHBondContact O-N 2.9Å; E144-K147 VanDerWaalsContact O-N 3.15Å; E144-K147 IonicContact OE1-NZ 2.69Å; E144-K147 PolarHBondContact OE1-NZ 3.15Å; E144-D148 PolarHBondContact O-N 2.98Å
145	G	87.3	Confident	79.7	Confident	38 Å²	38	90 Å²	90	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-37.5	175.1	0	0	0	0	0	112.8	P142 L149	P142-G145 PolarHBondContact O-N 3.16Å; G145-L149 WeakPolarHBondContact O-CG 3.23Å; G145-L149 PolarHBondContact O-N 3.17Å; G145-L149 VanDerWaalsContact O-N 3.14Å
146	I	90.4	Very high	81.6	Confident	6 Å²	6	88.9 Å²	88.9	3%	0.031	46%	0.458	C	S	.	.	H	α-helix	trans	-68.2	-40.9	174.9	-57.9	-59.3	0	0	0	111.4	F126 L129 L133 P142 D143 E144 D148 L149 V150	F126-I146 HydrophobicContact CD2-CB 4.07Å; F126-I146 HydrophobicContact CD2-CG2 3.45Å; F126-I146 VanDerWaalsContact CD2-CG2 3.45Å; F126-I146 HydrophobicContact CE2-CB 3.82Å; F126-I146 HydrophobicContact CE2-CG2 3.7Å; F126-I146 HydrophobicContact CG-CG2 4.06Å; F126-I146 HydrophobicContact CZ-CG2 4.5Å; L129-I146 HydrophobicContact CB-CD1 4.28Å; L129-I146 HydrophobicContact CB-CG2 3.86Å; L133-I146 HydrophobicContact CB-CD1 4.12Å; L133-I146 HydrophobicContact CD1-CD1 3.54Å; L133-I146 HydrophobicContact CG-CD1 4.39Å; P142-I146 WeakPolarHBondContact O-CG1 3.33Å; P142-I146 PolarHBondContact O-N 3.23Å; D143-I146 PolarHBondContact O-N 2.97Å; E144-I146 VanDerWaalsContact C-N 3.29Å; E144-I146 PolarHBondContact O-N 3.06Å; I146-D148 VanDerWaalsContact C-N 3.32Å; I146-D148 PolarHBondContact O-N 2.92Å; I146-L149 HydrophobicContact CD1-CD1 4.44Å; I146-L149 WeakPolarHBondContact O-CB 3.27Å; I146-L149 PolarHBondContact O-N 3.07Å; I146-V150 HydrophobicContact CG2-CG2 4.49Å; I146-V150 WeakPolarHBondContact O-CG2 3.39Å; I146-V150 PolarHBondContact O-N 3.4Å
147	K	92.2	Very high	83.8	Confident	94 Å²	94	81.1 Å²	81.1	41%	0.409	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.3	-72.4	170.5	-165.7	169.2	0	111.6	F126 D143 E144 L149 V150 E151	F126-K147 HydrophobicContact CD2-CG 4.25Å; F126-K147 HydrophobicContact CE2-CG 4Å; D143-K147 VanDerWaalsContact O-CG 3.31Å; D143-K147 WeakPolarHBondContact O-CG 3.32Å; D143-K147 PolarHBondContact O-N 3.12Å; E144-K147 PolarHBondContact O-N 2.9Å; E144-K147 VanDerWaalsContact O-N 3.15Å; E144-K147 IonicContact OE1-NZ 2.69Å; E144-K147 PolarHBondContact OE1-NZ 3.15Å; K147-L149 VanDerWaalsContact C-N 3.31Å; K147-L149 PolarHBondContact O-N 3.45Å; K147-V150 WeakPolarHBondContact O-CB 3.26Å; K147-V150 PolarHBondContact O-N 2.99Å; K147-E151 PolarHBondContact O-N 3.15Å
148	D	92.4	Very high	86	Confident	104 Å²	104	75.1 Å²	75.1	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-60.5	-42	175.9	-77.2	-16.4	0	0	0	111.4	E144 I146 V150 E151 I152	E144-D148 PolarHBondContact O-N 2.98Å; I146-D148 VanDerWaalsContact C-N 3.32Å; I146-D148 PolarHBondContact O-N 2.92Å; D148-V150 PolarHBondContact O-N 3.28Å; D148-E151 PolarHBondContact O-N 3.38Å; D148-I152 WeakPolarHBondContact O-CB 3.46Å; D148-I152 WeakPolarHBondContact O-CD1 3.48Å; D148-I152 WeakPolarHBondContact O-CG1 3.32Å; D148-I152 PolarHBondContact O-N 2.98Å
149	L	92.4	Very high	87.9	Confident	66 Å²	66	75.1 Å²	75.1	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-40	174.7	-70.7	175.4	0	0	0	112.6	L129 L133 G145 I146 K147 I152 T153	L129-L149 HydrophobicContact CD1-CB 4.08Å; L133-L149 HydrophobicContact CD1-CD1 3.4Å; L133-L149 VanDerWaalsContact CD1-CD1 3.4Å; G145-L149 WeakPolarHBondContact O-CG 3.23Å; G145-L149 PolarHBondContact O-N 3.17Å; G145-L149 VanDerWaalsContact O-N 3.14Å; I146-L149 HydrophobicContact CD1-CD1 4.44Å; I146-L149 WeakPolarHBondContact O-CB 3.27Å; I146-L149 PolarHBondContact O-N 3.07Å; K147-L149 VanDerWaalsContact C-N 3.31Å; K147-L149 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 3.12Å; L149-T153 WeakPolarHBondContact O-CB 3.33Å; L149-T153 PolarHBondContact O-N 3.36Å; L149-T153 PolarHBondContact O-OG1 2.89Å; L149-T153 VanDerWaalsContact O-OG1 3.05Å
150	V	94.9	Very high	89.8	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-46.9	175.3	171.2	0	0	0	0	110.7	K122 M125 F126 L129 I146 K147 D148 T153 L154	K122-V150 HydrophobicContact CB-CG1 4.19Å; K122-V150 HydrophobicContact CG-CG1 4.09Å; M125-V150 HydrophobicContact CB-CG1 4.3Å; M125-V150 HydrophobicContact CB-CG2 3.91Å; M125-V150 HydrophobicContact SD-CG1 4.16Å; F126-V150 HydrophobicContact CB-CG2 4.14Å; L129-V150 HydrophobicContact CD1-CG2 3.94Å; I146-V150 HydrophobicContact CG2-CG2 4.49Å; I146-V150 WeakPolarHBondContact O-CG2 3.39Å; I146-V150 PolarHBondContact O-N 3.4Å; K147-V150 WeakPolarHBondContact O-CB 3.26Å; K147-V150 PolarHBondContact O-N 2.99Å; D148-V150 PolarHBondContact O-N 3.28Å; V150-T153 PolarHBondContact O-N 3.38Å; V150-L154 HydrophobicContact CG1-CD1 4.38Å; V150-L154 PolarHBondContact O-N 2.96Å
151	E	95.9	Very high	91.5	Very high	97 Å²	97	69 Å²	69	45%	0.453	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-37.4	178.9	-65.3	-59.6	145.1	0	0	112.3	K122 K147 D148 K155	K122-E151 IonicContact NZ-OE1 2.97Å; K122-E151 PolarHBondContact NZ-OE1 3.3Å; K122-E151 IonicContact NZ-OE2 2.71Å; K122-E151 PolarHBondContact NZ-OE2 2.93Å; K147-E151 PolarHBondContact O-N 3.15Å; D148-E151 PolarHBondContact O-N 3.38Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 PolarHBondContact O-N 3.45Å
152	I	94.4	Very high	92.8	Very high	107 Å²	107	67.6 Å²	67.6	55%	0.549	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-44.9	173	-70.6	163.9	0	0	0	110.6	D148 L149 K155 K156	D148-I152 WeakPolarHBondContact O-CB 3.46Å; D148-I152 WeakPolarHBondContact O-CD1 3.48Å; D148-I152 WeakPolarHBondContact O-CG1 3.32Å; D148-I152 PolarHBondContact O-N 2.98Å; L149-I152 PolarHBondContact O-N 3.12Å; I152-K155 PolarHBondContact O-N 3.4Å; I152-K156 WeakPolarHBondContact O-CB 3.45Å; I152-K156 PolarHBondContact O-N 3.27Å; I152-K156 VanDerWaalsContact O-N 3.08Å
153	T	95.1	Very high	94	Very high	20 Å²	20	66.7 Å²	66.7	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-46.9	179.2	-67.1	0	0	0	0	111.4	M125 L149 V150 K155 K156 M157 L165 F184	M125-T153 HydrophobicContact SD-CG2 4.23Å; L149-T153 WeakPolarHBondContact O-CB 3.33Å; L149-T153 PolarHBondContact O-N 3.36Å; L149-T153 PolarHBondContact O-OG1 2.89Å; L149-T153 VanDerWaalsContact O-OG1 3.05Å; V150-T153 PolarHBondContact O-N 3.38Å; T153-K155 PolarHBondContact O-N 2.94Å; T153-K156 PolarHBondContact O-N 3.23Å; T153-K156 VanDerWaalsContact O-N 3.09Å; T153-M157 HydrophobicContact CG2-CG 4.2Å; T153-M157 HydrophobicContact CG2-SD 3.63Å; T153-M157 WeakPolarHBondContact O-CB 3.35Å; T153-M157 WeakPolarHBondContact O-CG 3.22Å; T153-M157 PolarHBondContact O-N 3.17Å; T153-L165 HydrophobicContact CG2-CD1 4.41Å; T153-F184 HydrophobicContact CG2-CE1 3.57Å; T153-F184 HydrophobicContact CG2-CZ 3.56Å
154	L	96.9	Very high	94.7	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.047	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-48	175.5	-77.8	170.5	0	0	0	111.6	K122 M125 V150 K156 M157 D158 L165	K122-L154 HydrophobicContact CD-CD1 3.98Å; K122-L154 HydrophobicContact CG-CD1 3.64Å; M125-L154 HydrophobicContact CE-CD2 3.68Å; M125-L154 HydrophobicContact CE-CG 4.15Å; M125-L154 HydrophobicContact SD-CD2 4.39Å; M125-L154 HydrophobicContact SD-CG 4.21Å; V150-L154 HydrophobicContact CG1-CD1 4.38Å; V150-L154 PolarHBondContact O-N 2.96Å; L154-K156 PolarHBondContact O-N 3.29Å; L154-M157 PolarHBondContact O-N 2.99Å; L154-D158 HydrophobicContact CB-CB 4.3Å; L154-D158 HydrophobicContact CD2-CB 3.81Å; L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.34Å; L154-D158 PolarHBondContact O-N 3.49Å; L154-L165 HydrophobicContact CD2-CD2 4.14Å; L154-L165 HydrophobicContact CD2-CG 4.38Å
155	K	96.4	Very high	95.3	Very high	185 Å²	185	63.1 Å²	63.1	80%	0.804	32%	0.321	S	S	*	.	H	α-helix	trans	-55.6	-29	177	-175.5	177.7	179.2	-177.9	0	113.2	E151 I152 T153	E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 PolarHBondContact O-N 3.45Å; I152-K155 PolarHBondContact O-N 3.4Å; T153-K155 PolarHBondContact O-N 2.94Å
156	K	95.9	Very high	95.9	Very high	99 Å²	99	62.4 Å²	62.4	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-89	-35.2	-178.5	-176.2	65	177.6	-167.1	0	113.2	I152 T153 L154 E177 L180	I152-K156 WeakPolarHBondContact O-CB 3.45Å; I152-K156 PolarHBondContact O-N 3.27Å; I152-K156 VanDerWaalsContact O-N 3.08Å; T153-K156 PolarHBondContact O-N 3.23Å; T153-K156 VanDerWaalsContact O-N 3.09Å; L154-K156 PolarHBondContact O-N 3.29Å; K156-E177 WeakPolarHBondContact CE-OE2 3.4Å; K156-E177 IonicContact NZ-OE2 3.12Å; K156-E177 PolarHBondContact NZ-OE2 2.96Å; K156-L180 HydrophobicContact CG-CD1 4.05Å
157	M	97.7	Very high	96.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-114.3	-25.3	-167.3	-57.4	-174.4	70.9	0	0	113.9	T153 L154 H159 L165 D169 Y170 A173 V174 L180 A183	T153-M157 HydrophobicContact CG2-CG 4.2Å; T153-M157 HydrophobicContact CG2-SD 3.63Å; T153-M157 WeakPolarHBondContact O-CB 3.35Å; T153-M157 WeakPolarHBondContact O-CG 3.22Å; T153-M157 PolarHBondContact O-N 3.17Å; L154-M157 PolarHBondContact O-N 2.99Å; M157-H159 PolarHBondContact O-CD2 3.49Å; M157-H159 PolarHBondContact O-N 2.71Å; M157-L165 VanDerWaalsContact C-CD2 3.46Å; M157-L165 HydrophobicContact CB-CD1 3.96Å; M157-L165 HydrophobicContact CB-CD2 3.6Å; M157-L165 HydrophobicContact CB-CG 4.45Å; M157-L165 HydrophobicContact CE-CD1 4.38Å; M157-L165 HydrophobicContact SD-CD1 4.19Å; M157-D169 WeakPolarHBondContact O-CB 3.47Å; M157-Y170 HydrophobicContact CE-CD2 3.44Å; M157-Y170 VanDerWaalsContact CE-CD2 3.44Å; M157-Y170 HydrophobicContact CE-CE2 3.91Å; M157-Y170 HydrophobicContact CE-CG 4.35Å; M157-A173 HydrophobicContact CB-CB 3.94Å; M157-A173 HydrophobicContact CE-CB 3.85Å; M157-A173 HydrophobicContact CG-CB 3.77Å; M157-V174 HydrophobicContact CE-CG2 4.42Å; M157-L180 HydrophobicContact CE-CB 4.22Å; M157-L180 HydrophobicContact CG-CD1 4.11Å; M157-L180 HydrophobicContact SD-CB 4.43Å; M157-L180 HydrophobicContact SD-CD1 4.31Å; M157-L180 HydrophobicContact SD-CD2 4.45Å; M157-A183 HydrophobicContact SD-CB 4.4Å
158	D	98.1	Very high	96.5	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.059	33%	0.326	C	S	.	.			trans	-82	96.8	-179	178.6	2.2	0	0	0	109.9	L154 H161 D162 G163 L165	L154-D158 HydrophobicContact CB-CB 4.3Å; L154-D158 HydrophobicContact CD2-CB 3.81Å; L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.34Å; L154-D158 PolarHBondContact O-N 3.49Å; D158-H161 PolarHBondContact O-CE1 2.91Å; D158-H161 VanDerWaalsContact O-CE1 3.26Å; D158-H161 PolarHBondContact O-ND1 2.93Å; D158-H161 WeakPolarHBondContact OD1-CA 3.4Å; D158-H161 PolarHBondContact OD1-N 3.34Å; D158-H161 WeakPolarHBondContact OD2-CA 3.18Å; D158-D162 PolarHBondContact OD1-N 3.47Å; D158-G163 WeakPolarHBondContact OD2-CA 3.38Å; D158-G163 PolarHBondContact OD2-N 2.75Å; D158-L165 HydrophobicContact CB-CD2 3.8Å
159	H	97.1	Very high	96.8	Very high	72 Å²	72	58.9 Å²	58.9	33%	0.333	30%	0.301	S	S	.	.	S	Bend	trans	-84.8	-28.2	-174.1	-70.5	-87.9	0	0	0	113.2	M157 D169	M157-H159 PolarHBondContact O-CD2 3.49Å; M157-H159 PolarHBondContact O-N 2.71Å; H159-D169 WeakPolarHBondContact CB-OD1 2.89Å; H159-D169 PolarHBondContact N-OD1 3.24Å; H159-D169 VanDerWaalsContact N-OD1 3.11Å
160	D	97.4	Very high	97.1	Very high	97 Å²	97	55.8 Å²	55.8	52%	0.519	29%	0.285	S	S	.	.	S	Bend	trans	-93.5	-7.4	178.3	77.3	3.7	0	0	0	113.8	D162	D160-D162 VanDerWaalsContact C-N 3.32Å; D160-D162 WeakPolarHBondContact OD1-CB 3.43Å; D160-D162 VanDerWaalsContact OD1-CG 3.26Å; D160-D162 PolarHBondContact OD1-N 3.21Å; D160-D162 VanDerWaalsContact OD1-N 3.13Å
161	H	96.8	Very high	97.3	Very high	151 Å²	151	58.1 Å²	58.1	70%	0.699	30%	0.296	S	S	*	.			trans	62.9	33.9	175.5	-54.3	-43.9	0	0	0	113.5	D158 G163	D158-H161 PolarHBondContact O-CE1 2.91Å; D158-H161 VanDerWaalsContact O-CE1 3.26Å; D158-H161 PolarHBondContact O-ND1 2.93Å; D158-H161 WeakPolarHBondContact OD1-CA 3.4Å; D158-H161 PolarHBondContact OD1-N 3.34Å; D158-H161 WeakPolarHBondContact OD2-CA 3.18Å; H161-G163 VanDerWaalsContact C-N 3.3Å
162	D	97.2	Very high	97.4	Very high	73 Å²	73	57.3 Å²	57.3	39%	0.39	29%	0.294	S	S	.	.	S	Bend	trans	-85.2	-4	176.1	84.4	-8	0	0	0	113.6	D158 D160 K164	D158-D162 PolarHBondContact OD1-N 3.47Å; D160-D162 VanDerWaalsContact C-N 3.32Å; D160-D162 WeakPolarHBondContact OD1-CB 3.43Å; D160-D162 VanDerWaalsContact OD1-CG 3.26Å; D160-D162 PolarHBondContact OD1-N 3.21Å; D160-D162 VanDerWaalsContact OD1-N 3.13Å; D162-K164 WeakPolarHBondContact OD1-CG 3.39Å; D162-K164 PolarHBondContact OD1-N 3.4Å; D162-K164 VanDerWaalsContact OD1-O 3.09Å; D162-K164 WeakPolarHBondContact OD2-CE 3.34Å; D162-K164 WeakPolarHBondContact OD2-CG 3.17Å; D162-K164 IonicContact OD2-NZ 3.43Å
163	G	96.9	Very high	97.5	Very high	27 Å²	27	52.2 Å²	52.2	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	86.2	10.1	175.3	0	0	0	0	0	114.6	D158 H161	D158-G163 WeakPolarHBondContact OD2-CA 3.38Å; D158-G163 PolarHBondContact OD2-N 2.75Å; H161-G163 VanDerWaalsContact C-N 3.3Å
164	K	97.8	Very high	97.7	Very high	65 Å²	65	51.3 Å²	51.3	28%	0.283	26%	0.262	S	S	.	.	S	Bend	trans	-140.8	173.4	174.3	53.3	-179.6	-174.5	162.1	0	108.8	F119 D162	F119-K164 HydrophobicContact CB-CB 4.42Å; F119-K164 HydrophobicContact CB-CD 3.8Å; F119-K164 HydrophobicContact CB-CG 4.36Å; F119-K164 HydrophobicContact CD1-CD 3.56Å; F119-K164 HydrophobicContact CD1-CG 3.95Å; F119-K164 HydrophobicContact CD2-CD 4.42Å; F119-K164 HydrophobicContact CE1-CD 4.23Å; F119-K164 VanDerWaalsContact CE1-NZ 3.29Å; F119-K164 HydrophobicContact CG-CD 3.67Å; F119-K164 HydrophobicContact CG-CG 4.39Å; F119-K164 VanDerWaalsContact CZ-NZ 3.3Å; D162-K164 WeakPolarHBondContact OD1-CG 3.39Å; D162-K164 PolarHBondContact OD1-N 3.4Å; D162-K164 VanDerWaalsContact OD1-O 3.09Å; D162-K164 WeakPolarHBondContact OD2-CE 3.34Å; D162-K164 WeakPolarHBondContact OD2-CG 3.17Å; D162-K164 IonicContact OD2-NZ 3.43Å
165	L	98.5	Very high	97.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.9	177.9	-56.8	176	0	0	0	110.2	F119 I120 M125 T153 L154 M157 D158 D169 F184	F119-L165 CarbonylContact C-O 3.19Å; F119-L165 VanDerWaalsContact CA-O 3.26Å; F119-L165 WeakPolarHBondContact CA-O 3.49Å; I120-L165 HydrophobicContact CB-CB 4.23Å; I120-L165 PolarHBondContact N-O 3.41Å; I120-L165 PolarHBondContact O-N 2.91Å; M125-L165 HydrophobicContact CE-CB 4.42Å; M125-L165 HydrophobicContact CE-CD1 3.63Å; M125-L165 HydrophobicContact CE-CG 3.53Å; T153-L165 HydrophobicContact CG2-CD1 4.41Å; L154-L165 HydrophobicContact CD2-CD2 4.14Å; L154-L165 HydrophobicContact CD2-CG 4.38Å; M157-L165 VanDerWaalsContact C-CD2 3.46Å; M157-L165 HydrophobicContact CB-CD1 3.96Å; M157-L165 HydrophobicContact CB-CD2 3.6Å; M157-L165 HydrophobicContact CB-CG 4.45Å; M157-L165 HydrophobicContact CE-CD1 4.38Å; M157-L165 HydrophobicContact SD-CD1 4.19Å; D158-L165 HydrophobicContact CB-CD2 3.8Å; L165-D169 HydrophobicContact CB-CB 4.48Å; L165-D169 HydrophobicContact CD2-CB 4.23Å; L165-F184 HydrophobicContact CD1-CE2 4.2Å; L165-F184 HydrophobicContact CD1-CZ 3.74Å
166	S	98.6	Very high	97.7	Very high	23 Å²	23	54 Å²	54	16%	0.161	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	167.7	163.1	76.3	0	0	0	0	110.7	A168 D169 Y170	S166-A168 PolarHBondContact O-N 3.35Å; S166-A168 PolarHBondContact OG-N 2.95Å; S166-D169 VanDerWaalsContact CB-OD2 3.25Å; S166-D169 WeakPolarHBondContact CB-OD2 3.35Å; S166-D169 PolarHBondContact N-OD2 3.08Å; S166-D169 PolarHBondContact O-N 3.33Å; S166-D169 PolarHBondContact OG-N 3.42Å; S166-D169 PolarHBondContact OG-OD2 3.48Å; S166-Y170 WeakPolarHBondContact O-CB 3.42Å; S166-Y170 PolarHBondContact O-N 2.9Å
167	F	98.4	Very high	97.7	Very high	58 Å²	58	52.6 Å²	52.6	25%	0.254	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-31.8	171.6	-179.5	-101.6	0	0	0	112.3	M105 K106 F109 E171	M105-F167 HydrophobicContact CB-CE2 4.49Å; K106-F167 HydrophobicContact CB-CE2 4.39Å; K106-F167 HydrophobicContact CG-CE1 4.46Å; K106-F167 HydrophobicContact CG-CE2 3.78Å; K106-F167 HydrophobicContact CG-CZ 3.55Å; F109-F167 HydrophobicContact CB-CD2 3.87Å; F109-F167 HydrophobicContact CB-CE2 4.25Å; F109-F167 HydrophobicContact CD1-CB 4.34Å; F109-F167 HydrophobicContact CD1-CD2 4.06Å; F109-F167 HydrophobicContact CD2-CB 4.43Å; F109-F167 HydrophobicContact CD2-CD2 4.05Å; F109-F167 HydrophobicContact CE1-CB 4.15Å; F109-F167 HydrophobicContact CE2-CB 4.23Å; F109-F167 HydrophobicContact CG-CB 4.49Å; F109-F167 AromaticContact CG-CD2 3.71Å; F109-F167 HydrophobicContact CG-CD2 3.71Å; F109-F167 HydrophobicContact CZ-CB 4.09Å; F167-E171 HydrophobicContact CE1-CB 4.13Å; F167-E171 WeakPolarHBondContact CE1-OE2 3.42Å; F167-E171 HydrophobicContact CZ-CB 4.2Å; F167-E171 VanDerWaalsContact O-CB 3.24Å; F167-E171 WeakPolarHBondContact O-CB 3.39Å; F167-E171 PolarHBondContact O-N 2.97Å
168	A	98.4	Very high	97.6	Very high	64 Å²	64	56.5 Å²	56.5	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-42.1	179.5	0	0	0	0	0	111.7	S166 L172	S166-A168 PolarHBondContact O-N 3.35Å; S166-A168 PolarHBondContact OG-N 2.95Å; A168-L172 WeakPolarHBondContact O-CB 3.28Å; A168-L172 PolarHBondContact O-N 2.88Å
169	D	98.5	Very high	97.4	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-51.4	174	-66.2	-54.8	0	0	0	110.8	M157 H159 L165 S166 L172 A173	M157-D169 WeakPolarHBondContact O-CB 3.47Å; H159-D169 WeakPolarHBondContact CB-OD1 2.89Å; H159-D169 PolarHBondContact N-OD1 3.24Å; H159-D169 VanDerWaalsContact N-OD1 3.11Å; L165-D169 HydrophobicContact CB-CB 4.48Å; L165-D169 HydrophobicContact CD2-CB 4.23Å; S166-D169 VanDerWaalsContact CB-OD2 3.25Å; S166-D169 WeakPolarHBondContact CB-OD2 3.35Å; S166-D169 PolarHBondContact N-OD2 3.08Å; S166-D169 PolarHBondContact O-N 3.33Å; S166-D169 PolarHBondContact OG-N 3.42Å; S166-D169 PolarHBondContact OG-OD2 3.48Å; D169-L172 PolarHBondContact O-N 3.01Å; D169-A173 WeakPolarHBondContact O-CB 3.26Å; D169-A173 PolarHBondContact O-N 3.28Å
170	Y	98.4	Very high	97.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-48.3	179.3	178.6	-96.4	0	0	0	112.5	M105 C108 F109 F112 I120 M157 S166 L172 A173 V174 L181	M105-Y170 HydrophobicContact CB-CE1 4.15Å; M105-Y170 HydrophobicContact CG-CE1 4.36Å; M105-Y170 WeakPolarHBondContact O-CE1 3.38Å; C108-Y170 VanDerWaalsContact CB-OH 3.28Å; C108-Y170 WeakPolarHBondContact CB-OH 3.36Å; F109-Y170 HydrophobicContact CB-CD1 4.15Å; F109-Y170 HydrophobicContact CB-CE1 4.21Å; F109-Y170 AromaticContact CD2-CD1 3.89Å; F109-Y170 HydrophobicContact CD2-CD1 3.89Å; F109-Y170 HydrophobicContact CD2-CD2 4.4Å; F109-Y170 AromaticContact CD2-CG 3.76Å; F109-Y170 HydrophobicContact CD2-CG 3.76Å; F109-Y170 HydrophobicContact CE2-CG 4.47Å; F109-Y170 HydrophobicContact CG-CD1 4.48Å; F112-Y170 HydrophobicContact CD2-CE2 4.3Å; F112-Y170 HydrophobicContact CE2-CE2 4.32Å; I120-Y170 HydrophobicContact CD1-CD2 4.48Å; M157-Y170 HydrophobicContact CE-CD2 3.44Å; M157-Y170 VanDerWaalsContact CE-CD2 3.44Å; M157-Y170 HydrophobicContact CE-CE2 3.91Å; M157-Y170 HydrophobicContact CE-CG 4.35Å; S166-Y170 WeakPolarHBondContact O-CB 3.42Å; S166-Y170 PolarHBondContact O-N 2.9Å; Y170-L172 VanDerWaalsContact C-N 3.35Å; Y170-L172 PolarHBondContact O-N 2.94Å; Y170-A173 PolarHBondContact O-N 3.41Å; Y170-V174 HydrophobicContact CD1-CG2 4.33Å; Y170-V174 HydrophobicContact CD2-CG2 4.28Å; Y170-V174 HydrophobicContact CE1-CG2 3.96Å; Y170-V174 HydrophobicContact CE2-CG2 3.88Å; Y170-V174 HydrophobicContact CG-CG2 4.47Å; Y170-V174 WeakPolarHBondContact O-CB 3.49Å; Y170-V174 VanDerWaalsContact O-CG2 3.25Å; Y170-V174 WeakPolarHBondContact O-CG2 3.28Å; Y170-V174 PolarHBondContact O-N 2.9Å; Y170-L181 PolarHBondContact OH-O 3.38Å
171	E	98.3	Very high	97.3	Very high	55 Å²	55	57.3 Å²	57.3	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-44.8	178.9	175.1	172.6	-155	0	0	111.4	M105 F167 R175	M105-E171 HydrophobicContact CE-CG 3.94Å; M105-E171 HydrophobicContact SD-CB 4.44Å; M105-E171 HydrophobicContact SD-CG 4.04Å; F167-E171 HydrophobicContact CE1-CB 4.13Å; F167-E171 WeakPolarHBondContact CE1-OE2 3.42Å; F167-E171 HydrophobicContact CZ-CB 4.2Å; F167-E171 VanDerWaalsContact O-CB 3.24Å; F167-E171 WeakPolarHBondContact O-CB 3.39Å; F167-E171 PolarHBondContact O-N 2.97Å; E171-R175 HydrophobicContact CG-CG 4.43Å; E171-R175 WeakPolarHBondContact O-CB 3.31Å; E171-R175 VanDerWaalsContact O-CG 3.27Å; E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 2.78Å; E171-R175 IonicContact OE1-CZ 3.53Å; E171-R175 IonicContact OE1-NE 3.09Å; E171-R175 PolarHBondContact OE1-NE 3.1Å; E171-R175 IonicContact OE1-NH2 3.21Å; E171-R175 PolarHBondContact OE1-NH2 3.02Å
172	L	97.9	Very high	97.2	Very high	79 Å²	79	53.2 Å²	53.2	41%	0.414	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-50.6	179.5	-178.1	57.5	0	0	0	110.7	A168 D169 Y170 V174 R175 E176	A168-L172 WeakPolarHBondContact O-CB 3.28Å; A168-L172 PolarHBondContact O-N 2.88Å; D169-L172 PolarHBondContact O-N 3.01Å; Y170-L172 VanDerWaalsContact C-N 3.35Å; Y170-L172 PolarHBondContact O-N 2.94Å; L172-V174 PolarHBondContact O-N 3.48Å; L172-R175 PolarHBondContact O-N 3.43Å; L172-E176 WeakPolarHBondContact O-CG 3.49Å; L172-E176 PolarHBondContact O-N 3.12Å
173	A	97.8	Very high	97	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-42.3	179.7	0	0	0	0	0	112.9	M157 D169 Y170 E176 E177 L180	M157-A173 HydrophobicContact CB-CB 3.94Å; M157-A173 HydrophobicContact CE-CB 3.85Å; M157-A173 HydrophobicContact CG-CB 3.77Å; D169-A173 WeakPolarHBondContact O-CB 3.26Å; D169-A173 PolarHBondContact O-N 3.28Å; Y170-A173 PolarHBondContact O-N 3.41Å; A173-E176 PolarHBondContact O-N 2.97Å; A173-E177 PolarHBondContact O-N 2.87Å; A173-L180 HydrophobicContact CB-CD1 4.14Å
174	V	97.9	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-32.1	178.5	174.9	0	0	0	0	112.3	L101 M105 M157 Y170 L172 E177 T178 L180 L181	L101-V174 HydrophobicContact CD1-CG1 4.27Å; M105-V174 HydrophobicContact CG-CB 4.22Å; M105-V174 HydrophobicContact CG-CG1 3.73Å; M105-V174 HydrophobicContact SD-CB 3.83Å; M105-V174 HydrophobicContact SD-CG1 3.68Å; M157-V174 HydrophobicContact CE-CG2 4.42Å; Y170-V174 HydrophobicContact CD1-CG2 4.33Å; Y170-V174 HydrophobicContact CD2-CG2 4.28Å; Y170-V174 HydrophobicContact CE1-CG2 3.96Å; Y170-V174 HydrophobicContact CE2-CG2 3.88Å; Y170-V174 HydrophobicContact CG-CG2 4.47Å; Y170-V174 WeakPolarHBondContact O-CB 3.49Å; Y170-V174 VanDerWaalsContact O-CG2 3.25Å; Y170-V174 WeakPolarHBondContact O-CG2 3.28Å; Y170-V174 PolarHBondContact O-N 2.9Å; L172-V174 PolarHBondContact O-N 3.48Å; V174-E177 CarbonylContact O-C 3.36Å; V174-E177 PolarHBondContact O-N 3.17Å; V174-T178 VanDerWaalsContact O-CA 3.27Å; V174-T178 WeakPolarHBondContact O-CA 3.5Å; V174-T178 PolarHBondContact O-N 2.82Å; V174-T178 VanDerWaalsContact O-N 3.15Å; V174-L180 HydrophobicContact CG2-CB 4.11Å; V174-L181 HydrophobicContact CG1-CB 3.97Å; V174-L181 HydrophobicContact CG1-CD1 4.12Å
175	R	97.3	Very high	96.5	Very high	117 Å²	117	47 Å²	47	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-34	174.3	-76	-179.7	-178.4	-84.3	5	112.2	E102 M105 E171 L172	E102-R175 IonicContact OE1-NH2 3.08Å; E102-R175 PolarHBondContact OE1-NH2 2.95Å; E102-R175 VanDerWaalsContact OE1-NH2 3.12Å; M105-R175 HydrophobicContact CE-CG 4.29Å; M105-R175 HydrophobicContact SD-CG 4.24Å; E171-R175 HydrophobicContact CG-CG 4.43Å; E171-R175 WeakPolarHBondContact O-CB 3.31Å; E171-R175 VanDerWaalsContact O-CG 3.27Å; E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 2.78Å; E171-R175 IonicContact OE1-CZ 3.53Å; E171-R175 IonicContact OE1-NE 3.09Å; E171-R175 PolarHBondContact OE1-NE 3.1Å; E171-R175 IonicContact OE1-NH2 3.21Å; E171-R175 PolarHBondContact OE1-NH2 3.02Å; L172-R175 PolarHBondContact O-N 3.43Å
176	E	96.5	Very high	96.2	Very high	133 Å²	133	50.6 Å²	50.6	62%	0.621	27%	0.27	S	S	*	.	H	α-helix	trans	-72.5	-40	172.6	-68.7	-176.6	172.3	0	0	111.8	L172 A173	L172-E176 WeakPolarHBondContact O-CG 3.49Å; L172-E176 PolarHBondContact O-N 3.12Å; A173-E176 PolarHBondContact O-N 2.97Å
177	E	96.4	Very high	96	Very high	70 Å²	70	49.5 Å²	49.5	33%	0.327	26%	0.263	S	S	.	.			trans	-140.8	95.2	-177.4	-172	169.5	174.9	0	0	111.4	K156 A173 V174 L179 L180	K156-E177 WeakPolarHBondContact CE-OE2 3.4Å; K156-E177 IonicContact NZ-OE2 3.12Å; K156-E177 PolarHBondContact NZ-OE2 2.96Å; A173-E177 PolarHBondContact O-N 2.87Å; V174-E177 CarbonylContact O-C 3.36Å; V174-E177 PolarHBondContact O-N 3.17Å; E177-L179 HydrophobicContact CG-CB 4.34Å; E177-L179 PolarHBondContact O-N 3.34Å; E177-L180 HydrophobicContact CB-CD1 3.98Å; E177-L180 HydrophobicContact CB-CG 4.19Å; E177-L180 HydrophobicContact CG-CD1 4.45Å; E177-L180 HydrophobicContact CG-CG 4.22Å; E177-L180 WeakPolarHBondContact O-CB 3.44Å; E177-L180 PolarHBondContact O-N 3.18Å
178	T	95.1	Very high	95.8	Very high	83 Å²	83	47.3 Å²	47.3	51%	0.509	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.3	-174.7	-59.1	0	0	0	0	114.3	L101 V174 L180 L181	L101-T178 HydrophobicContact CD1-CG2 4.29Å; V174-T178 VanDerWaalsContact O-CA 3.27Å; V174-T178 WeakPolarHBondContact O-CA 3.5Å; V174-T178 PolarHBondContact O-N 2.82Å; V174-T178 VanDerWaalsContact O-N 3.15Å; T178-L180 PolarHBondContact O-N 2.97Å; T178-L181 VanDerWaalsContact O-CB 3.29Å; T178-L181 WeakPolarHBondContact O-CB 3.42Å; T178-L181 PolarHBondContact O-N 3.03Å; T178-L181 VanDerWaalsContact O-N 3.16Å
179	L	94.1	Very high	95.6	Very high	151 Å²	151	44.5 Å²	44.5	79%	0.791	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-62.8	-20.2	174	-66	174.8	0	0	0	112.9	E177 L181	E177-L179 HydrophobicContact CG-CB 4.34Å; E177-L179 PolarHBondContact O-N 3.34Å; L179-L181 VanDerWaalsContact C-N 3.25Å; L179-L181 PolarHBondContact O-N 3.06Å
180	L	96.1	Very high	95.3	Very high	28 Å²	28	47.3 Å²	47.3	15%	0.147	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-78.1	-5.8	177.5	-60.9	175.8	0	0	0	113.6	K156 M157 A173 V174 E177 T178 E182 A183	K156-L180 HydrophobicContact CG-CD1 4.05Å; M157-L180 HydrophobicContact CE-CB 4.22Å; M157-L180 HydrophobicContact CG-CD1 4.11Å; M157-L180 HydrophobicContact SD-CB 4.43Å; M157-L180 HydrophobicContact SD-CD1 4.31Å; M157-L180 HydrophobicContact SD-CD2 4.45Å; A173-L180 HydrophobicContact CB-CD1 4.14Å; V174-L180 HydrophobicContact CG2-CB 4.11Å; E177-L180 HydrophobicContact CB-CD1 3.98Å; E177-L180 HydrophobicContact CB-CG 4.19Å; E177-L180 HydrophobicContact CG-CD1 4.45Å; E177-L180 HydrophobicContact CG-CG 4.22Å; E177-L180 WeakPolarHBondContact O-CB 3.44Å; E177-L180 PolarHBondContact O-N 3.18Å; T178-L180 PolarHBondContact O-N 2.97Å; L180-E182 PolarHBondContact O-N 3.43Å; L180-E182 VanDerWaalsContact O-N 3.11Å; L180-A183 HydrophobicContact CD2-CB 4.42Å; L180-A183 VanDerWaalsContact O-CB 3.27Å; L180-A183 WeakPolarHBondContact O-CB 3.48Å; L180-A183 PolarHBondContact O-N 2.93Å; L180-A183 VanDerWaalsContact O-N 3.1Å
181	L	97.1	Very high	95.1	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.9	-179.4	178.3	64.7	0	0	0	113.2	L101 K104 M105 C108 Y170 V174 T178 L179 L188	L101-L181 HydrophobicContact CD1-CD1 4.4Å; L101-L181 HydrophobicContact CD1-CD2 4.16Å; K104-L181 HydrophobicContact CB-CD1 4.2Å; K104-L181 HydrophobicContact CB-CD2 4.16Å; K104-L181 HydrophobicContact CD-CD2 4.48Å; M105-L181 HydrophobicContact CB-CD1 4.48Å; M105-L181 HydrophobicContact CG-CD1 3.85Å; C108-L181 HydrophobicContact CB-CD1 4.36Å; C108-L181 WeakPolarHBondContact CB-O 3.49Å; C108-L181 PolarHBondContact SG-O 3Å; C108-L181 VanDerWaalsContact SG-O 3.4Å; Y170-L181 PolarHBondContact OH-O 3.38Å; V174-L181 HydrophobicContact CG1-CB 3.97Å; V174-L181 HydrophobicContact CG1-CD1 4.12Å; T178-L181 VanDerWaalsContact O-CB 3.29Å; T178-L181 WeakPolarHBondContact O-CB 3.42Å; T178-L181 PolarHBondContact O-N 3.03Å; T178-L181 VanDerWaalsContact O-N 3.16Å; L179-L181 VanDerWaalsContact C-N 3.25Å; L179-L181 PolarHBondContact O-N 3.06Å; L181-L188 HydrophobicContact CD2-CD1 4.02Å; L181-L188 HydrophobicContact CG-CD1 4.49Å
182	E	94.7	Very high	94.8	Very high	65 Å²	65	55.7 Å²	55.7	30%	0.304	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-123.9	33	178.9	-62.4	-173.4	89	0	0	111	L180 F184 G185 P186 C187 L188	L180-E182 PolarHBondContact O-N 3.43Å; L180-E182 VanDerWaalsContact O-N 3.11Å; E182-F184 PolarHBondContact O-N 3.24Å; E182-G185 PolarHBondContact O-N 3.42Å; E182-P186 VanDerWaalsContact OE1-CA 3.25Å; E182-P186 WeakPolarHBondContact OE1-CA 3.21Å; E182-C187 PolarHBondContact OE1-N 3.04Å; E182-L188 HydrophobicContact CG-CD1 4.45Å; E182-L188 WeakPolarHBondContact OE1-CB 3.46Å; E182-L188 PolarHBondContact OE1-N 3.37Å
183	A	92.8	Very high	94.6	Very high	29 Å²	29	52.7 Å²	52.7	24%	0.24	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.4	-172.4	0	0	0	0	0	114.3	M157 L180	M157-A183 HydrophobicContact SD-CB 4.4Å; L180-A183 HydrophobicContact CD2-CB 4.42Å; L180-A183 VanDerWaalsContact O-CB 3.27Å; L180-A183 WeakPolarHBondContact O-CB 3.48Å; L180-A183 PolarHBondContact O-N 2.93Å; L180-A183 VanDerWaalsContact O-N 3.1Å
184	F	92.3	Very high	94.4	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	1.7	-177.5	-51.7	-68.5	0	0	0	114	F112 I120 M125 M128 L129 T153 L165 E182	F112-F184 HydrophobicContact CB-CD2 4.18Å; F112-F184 HydrophobicContact CD1-CB 3.98Å; F112-F184 HydrophobicContact CD1-CD2 4.34Å; F112-F184 AromaticContact CD2-CD2 3.51Å; F112-F184 HydrophobicContact CD2-CD2 3.51Å; F112-F184 HydrophobicContact CD2-CE2 4.24Å; F112-F184 HydrophobicContact CD2-CG 4.49Å; F112-F184 HydrophobicContact CE1-CB 4Å; F112-F184 AromaticContact CE2-CD2 3.87Å; F112-F184 HydrophobicContact CE2-CD2 3.87Å; F112-F184 HydrophobicContact CG-CB 4.25Å; F112-F184 AromaticContact CG-CD2 3.76Å; F112-F184 HydrophobicContact CG-CD2 3.76Å; F112-F184 HydrophobicContact CG-CG 4.45Å; F112-F184 HydrophobicContact CZ-CB 4.28Å; F112-F184 HydrophobicContact CZ-CD2 4.43Å; I120-F184 HydrophobicContact CD1-CD2 4.5Å; I120-F184 HydrophobicContact CD1-CE2 4Å; I120-F184 HydrophobicContact CG2-CE2 4.34Å; I120-F184 HydrophobicContact CG2-CZ 4.45Å; M125-F184 HydrophobicContact CB-CD1 4.06Å; M125-F184 HydrophobicContact CB-CE1 3.78Å; M125-F184 HydrophobicContact CE-CZ 4.43Å; M125-F184 HydrophobicContact CG-CD1 4.02Å; M125-F184 HydrophobicContact CG-CE1 3.36Å; M125-F184 HydrophobicContact CG-CZ 3.78Å; M125-F184 HydrophobicContact SD-CE1 3.75Å; M125-F184 HydrophobicContact SD-CZ 3.99Å; M128-F184 HydrophobicContact CB-CB 3.93Å; L129-F184 HydrophobicContact CD1-CD1 4.43Å; L129-F184 HydrophobicContact CD2-CD1 4.39Å; L129-F184 HydrophobicContact CG-CD1 4.22Å; T153-F184 HydrophobicContact CG2-CE1 3.57Å; T153-F184 HydrophobicContact CG2-CZ 3.56Å; L165-F184 HydrophobicContact CD1-CE2 4.2Å; L165-F184 HydrophobicContact CD1-CZ 3.74Å; E182-F184 PolarHBondContact O-N 3.24Å
185	G	91.5	Very high	94.2	Very high	4 Å²	4	60.8 Å²	60.8	4%	0.041	32%	0.315	C	S	.	.			trans	143	151.4	177.2	0	0	0	0	0	113.2	E182 C187	E182-G185 PolarHBondContact O-N 3.42Å; G185-C187 PolarHBondContact O-N 3.22Å
186	P	92	Very high	94	Very high	77 Å²	77	60.5 Å²	60.5	50%	0.5	32%	0.319	S	S	.	.			trans	-73.6	99.6	-175.9	30.1	-34.4	0	0	0	111	I68 E182	I68-P186 WeakPolarHBondContact CG2-O 3.18Å; E182-P186 VanDerWaalsContact OE1-CA 3.25Å; E182-P186 WeakPolarHBondContact OE1-CA 3.21Å
187	C	93.5	Very high	93.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.			trans	-106.6	-2.4	-179.4	67	0	0	0	0	113.7	I68 V72 F96 V111 E182 G185	I68-C187 HydrophobicContact CG2-CB 3.88Å; V72-C187 HydrophobicContact CG2-CB 4.14Å; V72-C187 WeakPolarHBondContact CG2-O 3.44Å; F96-C187 WeakPolarHBondContact CE2-O 3.37Å; F96-C187 WeakPolarHBondContact CZ-O 3.29Å; V111-C187 HydrophobicContact CB-CB 4.5Å; V111-C187 HydrophobicContact CG1-CB 3.7Å; E182-C187 PolarHBondContact OE1-N 3.04Å; G185-C187 PolarHBondContact O-N 3.22Å
188	L	95.6	Very high	93.9	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.063	29%	0.287	C	S	.	.	S	Bend	trans	-108.5	152.3	170.7	-62.6	174	0	0	0	109.8	L95 F96 K104 Y107 L181 E182	L95-L188 HydrophobicContact CD2-CD2 4.26Å; F96-L188 HydrophobicContact CD2-CD2 4.05Å; F96-L188 HydrophobicContact CE2-CD2 3.95Å; K104-L188 HydrophobicContact CB-CD1 4.13Å; K104-L188 HydrophobicContact CD-CD1 3.9Å; K104-L188 HydrophobicContact CG-CD1 3.97Å; Y107-L188 HydrophobicContact CD1-CD2 3.9Å; Y107-L188 HydrophobicContact CE1-CD2 4.03Å; L181-L188 HydrophobicContact CD2-CD1 4.02Å; L181-L188 HydrophobicContact CG-CD1 4.49Å; E182-L188 HydrophobicContact CG-CD1 4.45Å; E182-L188 WeakPolarHBondContact OE1-CB 3.46Å; E182-L188 PolarHBondContact OE1-N 3.37Å
189	P	94.1	Very high	93.7	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.026	29%	0.286	C	S	.	.			trans	-67.3	143.7	174.5	26.6	-31.4	0	0	0	110	F61 F96 Q194	F61-P189 HydrophobicContact CB-CB 4.07Å; F61-P189 HydrophobicContact CD1-CB 3.53Å; F61-P189 HydrophobicContact CD1-CG 4.32Å; F61-P189 HydrophobicContact CE1-CB 4.18Å; F61-P189 HydrophobicContact CG-CB 3.93Å; F96-P189 HydrophobicContact CB-CG 4.23Å; F96-P189 HydrophobicContact CD1-CG 3.78Å; F96-P189 HydrophobicContact CE1-CG 4.32Å; F96-P189 HydrophobicContact CG-CG 4.12Å; F96-P189 WeakPolarHBondContact O-CG 3.43Å; P189-Q194 HydrophobicContact CB-CG 3.85Å; P189-Q194 HydrophobicContact CG-CG 3.63Å; P189-Q194 PolarHBondContact O-NE2 3.23Å
190	D	92.6	Very high	93.6	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	28%	0.281	S	S	.	.			trans	-69.5	156.7	174.8	75.3	87.1	0	0	0	111.2	K192 S193 Q194	D190-K192 PolarHBondContact O-N 3.34Å; D190-K192 VanDerWaalsContact O-N 3.15Å; D190-K192 WeakPolarHBondContact OD1-CA 3.46Å; D190-K192 WeakPolarHBondContact OD1-CB 3.47Å; D190-K192 PolarHBondContact OD1-N 3.42Å; D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 VanDerWaalsContact O-N 3.17Å; D190-S193 PolarHBondContact OD1-N 3.44Å; D190-S193 VanDerWaalsContact OD2-CB 3.25Å; D190-S193 WeakPolarHBondContact OD2-CB 3.21Å; D190-S193 PolarHBondContact OD2-OG 2.85Å; D190-Q194 WeakPolarHBondContact O-CG 3.3Å; D190-Q194 PolarHBondContact O-N 3.13Å
191	P	92.6	Very high	93.4	Very high	95 Å²	95	52.3 Å²	52.3	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-57.1	-32.9	-176	-27.5	35.6	0	0	0	114.6	M195	P191-M195 WeakPolarHBondContact O-CB 2.73Å; P191-M195 VanDerWaalsContact O-CG 3.26Å; P191-M195 WeakPolarHBondContact O-CG 3.4Å; P191-M195 PolarHBondContact O-N 2.88Å
192	K	93.8	Very high	93.2	Very high	135 Å²	135	52.8 Å²	52.8	59%	0.587	28%	0.283	S	S	*	.	H	α-helix	trans	-70	-47.7	179.4	178.4	-170.6	167.9	-170.5	0	110	D190 Q194 M195 E196	D190-K192 PolarHBondContact O-N 3.34Å; D190-K192 VanDerWaalsContact O-N 3.15Å; D190-K192 WeakPolarHBondContact OD1-CA 3.46Å; D190-K192 WeakPolarHBondContact OD1-CB 3.47Å; D190-K192 PolarHBondContact OD1-N 3.42Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 2.93Å; K192-M195 PolarHBondContact O-N 3.18Å; K192-E196 WeakPolarHBondContact CE-OE1 3.14Å; K192-E196 IonicContact NZ-OE1 3.79Å; K192-E196 WeakPolarHBondContact O-CG 2.88Å; K192-E196 PolarHBondContact O-N 3.46Å
193	S	93.7	Very high	92.7	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-38	176.3	-62.1	0	0	0	0	112.1	D190 F197	D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 VanDerWaalsContact O-N 3.17Å; D190-S193 PolarHBondContact OD1-N 3.44Å; D190-S193 VanDerWaalsContact OD2-CB 3.25Å; D190-S193 WeakPolarHBondContact OD2-CB 3.21Å; D190-S193 PolarHBondContact OD2-OG 2.85Å; S193-F197 WeakPolarHBondContact O-CB 3.48Å; S193-F197 PolarHBondContact O-N 3.31Å
194	Q	93.6	Very high	91.3	Very high	33 Å²	33	56.8 Å²	56.8	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-50.6	173	-67.9	174.6	20.4	0	0	111.6	L97 P189 D190 K192 E196 F197 E198	L97-Q194 HydrophobicContact CD2-CB 4.26Å; L97-Q194 HydrophobicContact CD2-CG 4.08Å; L97-Q194 PolarHBondContact O-OE1 3.28Å; P189-Q194 HydrophobicContact CB-CG 3.85Å; P189-Q194 HydrophobicContact CG-CG 3.63Å; P189-Q194 PolarHBondContact O-NE2 3.23Å; D190-Q194 WeakPolarHBondContact O-CG 3.3Å; D190-Q194 PolarHBondContact O-N 3.13Å; K192-Q194 VanDerWaalsContact C-N 3.29Å; K192-Q194 PolarHBondContact O-N 2.93Å; Q194-E196 PolarHBondContact O-N 3.48Å; Q194-F197 PolarHBondContact O-N 2.76Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 3.09Å
195	M	92.8	Very high	89.7	Confident	139 Å²	139	61.8 Å²	61.8	69%	0.685	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-43.2	179.6	-74.1	178.5	72	0	0	112.2	P191 K192 A199	P191-M195 WeakPolarHBondContact O-CB 2.73Å; P191-M195 VanDerWaalsContact O-CG 3.26Å; P191-M195 WeakPolarHBondContact O-CG 3.4Å; P191-M195 PolarHBondContact O-N 2.88Å; K192-M195 PolarHBondContact O-N 3.18Å; M195-A199 WeakPolarHBondContact O-CB 3.33Å; M195-A199 PolarHBondContact O-N 3.42Å
196	E	93.9	Very high	88	Confident	111 Å²	111	66.6 Å²	66.6	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-42.5	178.3	-73.6	178.1	177.3	0	0	111.5	K192 Q194 Q200	K192-E196 WeakPolarHBondContact CE-OE1 3.14Å; K192-E196 IonicContact NZ-OE1 3.79Å; K192-E196 WeakPolarHBondContact O-CG 2.88Å; K192-E196 PolarHBondContact O-N 3.46Å; Q194-E196 PolarHBondContact O-N 3.48Å; E196-Q200 WeakPolarHBondContact O-CB 3.4Å; E196-Q200 PolarHBondContact O-N 3.1Å
197	F	94.6	Very high	86.3	Confident	10 Å²	10	70.1 Å²	70.1	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-52.4	175.1	-179	-93	0	0	0	111.9	L28 L31 T60 F61 L93 L97 S193 Q194 A199 Q200 V201	L28-F197 HydrophobicContact CD2-CE1 4.04Å; L28-F197 HydrophobicContact CD2-CZ 4.23Å; L31-F197 HydrophobicContact CD2-CE2 3.8Å; L31-F197 HydrophobicContact CD2-CZ 3.62Å; T60-F197 HydrophobicContact CG2-CB 4.49Å; T60-F197 HydrophobicContact CG2-CD2 3.31Å; T60-F197 HydrophobicContact CG2-CE2 3.87Å; T60-F197 HydrophobicContact CG2-CG 4.29Å; F61-F197 HydrophobicContact CE1-CB 4.05Å; F61-F197 HydrophobicContact CE1-CD2 4.21Å; F61-F197 HydrophobicContact CE1-CG 4.06Å; F61-F197 HydrophobicContact CZ-CD2 4.06Å; F61-F197 HydrophobicContact CZ-CE2 4.26Å; F61-F197 HydrophobicContact CZ-CG 4.18Å; L93-F197 HydrophobicContact CD1-CE1 4.23Å; L93-F197 HydrophobicContact CD1-CZ 3.94Å; L93-F197 HydrophobicContact CD2-CZ 4.47Å; L97-F197 HydrophobicContact CD1-CD1 3.49Å; L97-F197 VanDerWaalsContact CD1-CD1 3.49Å; L97-F197 HydrophobicContact CD1-CE1 3.54Å; L97-F197 HydrophobicContact CD2-CD1 4.1Å; L97-F197 HydrophobicContact CG-CD1 4.46Å; S193-F197 WeakPolarHBondContact O-CB 3.48Å; S193-F197 PolarHBondContact O-N 3.31Å; Q194-F197 PolarHBondContact O-N 2.76Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 2.78Å; F197-Q200 PolarHBondContact O-N 3.26Å; F197-Q200 VanDerWaalsContact O-N 3.13Å; F197-V201 HydrophobicContact CD1-CG2 4.26Å; F197-V201 HydrophobicContact CD2-CG2 4.01Å; F197-V201 HydrophobicContact CE1-CB 4.31Å; F197-V201 HydrophobicContact CE1-CG2 4.01Å; F197-V201 HydrophobicContact CE2-CG2 3.81Å; F197-V201 HydrophobicContact CG-CG2 4.29Å; F197-V201 HydrophobicContact CZ-CB 4.5Å; F197-V201 HydrophobicContact CZ-CG2 3.81Å; F197-V201 WeakPolarHBondContact O-CB 3.31Å; F197-V201 VanDerWaalsContact O-CG2 3.28Å; F197-V201 WeakPolarHBondContact O-CG2 3.46Å; F197-V201 PolarHBondContact O-N 2.81Å
198	E	94.5	Very high	84.1	Confident	48 Å²	48	77.3 Å²	77.3	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-44.8	179.5	-71.1	-156.5	177.8	0	0	111.2	L97 R98 Q194 Q200 V201 F202	L97-E198 HydrophobicContact CD1-CG 4.26Å; R98-E198 WeakPolarHBondContact CG-OE1 3.42Å; R98-E198 IonicContact CZ-OE1 2.72Å; R98-E198 IonicContact CZ-OE2 3.9Å; R98-E198 IonicContact NE-OE1 2.76Å; R98-E198 PolarHBondContact NE-OE1 3Å; R98-E198 IonicContact NE-OE2 3.43Å; R98-E198 PolarHBondContact NE-OE2 3.24Å; R98-E198 IonicContact NH2-OE1 2.78Å; R98-E198 PolarHBondContact NH2-OE1 2.98Å; R98-E198 IonicContact NH2-OE2 3.06Å; R98-E198 PolarHBondContact NH2-OE2 2.87Å; Q194-E198 WeakPolarHBondContact O-CG 3.36Å; Q194-E198 PolarHBondContact O-N 3.09Å; E198-Q200 VanDerWaalsContact C-N 3.26Å; E198-Q200 PolarHBondContact O-N 3.15Å; E198-V201 PolarHBondContact O-N 3.37Å; E198-F202 HydrophobicContact CB-CD2 3.87Å; E198-F202 HydrophobicContact CB-CE2 4.21Å; E198-F202 HydrophobicContact CG-CD2 3.95Å; E198-F202 HydrophobicContact CG-CE2 3.77Å; E198-F202 WeakPolarHBondContact O-CB 3.47Å; E198-F202 PolarHBondContact O-N 3.02Å
199	A	92.6	Very high	81.6	Confident	59 Å²	59	83.2 Å²	83.2	49%	0.488	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-35.4	177.2	0	0	0	0	0	111.7	M195 F197 K203	M195-A199 WeakPolarHBondContact O-CB 3.33Å; M195-A199 PolarHBondContact O-N 3.42Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 2.78Å; A199-K203 WeakPolarHBondContact O-CD 3.45Å; A199-K203 WeakPolarHBondContact O-CE 2.94Å; A199-K203 WeakPolarHBondContact O-CG 3.45Å
200	Q	91.2	Very high	79.1	Confident	149 Å²	149	90.4 Å²	90.4	70%	0.696	47%	0.465	S	S	*	.	H	α-helix	trans	-76.9	-40.1	178.5	-173.3	176.6	13.9	0	0	112.7	E196 F197 E198	E196-Q200 WeakPolarHBondContact O-CB 3.4Å; E196-Q200 PolarHBondContact O-N 3.1Å; F197-Q200 PolarHBondContact O-N 3.26Å; F197-Q200 VanDerWaalsContact O-N 3.13Å; E198-Q200 VanDerWaalsContact C-N 3.26Å; E198-Q200 PolarHBondContact O-N 3.15Å
201	V	92.9	Very high	76.4	Confident	26 Å²	26	98 Å²	98	16%	0.158	50%	0.501	C	S	.	.	H	α-helix	trans	-91.4	-32.7	-167.6	179.1	0	0	0	0	112.6	C27 L28 L31 F197 E198	C27-V201 HydrophobicContact CB-CG1 4.26Å; C27-V201 WeakPolarHBondContact CB-O 3.4Å; L28-V201 HydrophobicContact CD2-CG1 3.96Å; L31-V201 HydrophobicContact CD2-CG1 3.95Å; L31-V201 HydrophobicContact CD2-CG2 3.73Å; F197-V201 HydrophobicContact CD1-CG2 4.26Å; F197-V201 HydrophobicContact CD2-CG2 4.01Å; F197-V201 HydrophobicContact CE1-CB 4.31Å; F197-V201 HydrophobicContact CE1-CG2 4.01Å; F197-V201 HydrophobicContact CE2-CG2 3.81Å; F197-V201 HydrophobicContact CG-CG2 4.29Å; F197-V201 HydrophobicContact CZ-CB 4.5Å; F197-V201 HydrophobicContact CZ-CG2 3.81Å; F197-V201 WeakPolarHBondContact O-CB 3.31Å; F197-V201 VanDerWaalsContact O-CG2 3.28Å; F197-V201 WeakPolarHBondContact O-CG2 3.46Å; F197-V201 PolarHBondContact O-N 2.81Å; E198-V201 PolarHBondContact O-N 3.37Å
202	F	92.9	Very high	75.6	Confident	27 Å²	27	98.2 Å²	98.2	12%	0.118	50%	0.496	C	S	.	.	S	Bend	trans	-98.8	17.9	-175.5	-56.6	-34.2	0	0	0	114.4	F20 E24 C27 L28 E198 D204	F20-F202 HydrophobicContact CD1-CE2 4.35Å; F20-F202 HydrophobicContact CD1-CZ 4.13Å; F20-F202 AromaticContact CE1-CE2 3.99Å; F20-F202 HydrophobicContact CE1-CE2 3.99Å; F20-F202 AromaticContact CE1-CZ 3.88Å; F20-F202 HydrophobicContact CE1-CZ 3.88Å; F20-F202 HydrophobicContact CZ-CZ 4.39Å; E24-F202 HydrophobicContact CB-CD1 4.03Å; E24-F202 HydrophobicContact CB-CE1 3.79Å; E24-F202 HydrophobicContact CB-CZ 4.09Å; E24-F202 HydrophobicContact CG-CD1 3.97Å; E24-F202 HydrophobicContact CG-CD2 4.25Å; E24-F202 HydrophobicContact CG-CE1 4.15Å; E24-F202 HydrophobicContact CG-CE2 4.41Å; E24-F202 HydrophobicContact CG-CG 4.03Å; E24-F202 HydrophobicContact CG-CZ 4.37Å; C27-F202 HydrophobicContact CB-CD1 4.01Å; C27-F202 HydrophobicContact CB-CE1 4.34Å; L28-F202 HydrophobicContact CD1-CE1 4.42Å; L28-F202 HydrophobicContact CD1-CZ 4.25Å; L28-F202 HydrophobicContact CD2-CE1 3.63Å; L28-F202 HydrophobicContact CD2-CZ 3.79Å; L28-F202 HydrophobicContact CG-CE1 3.75Å; L28-F202 HydrophobicContact CG-CZ 4.02Å; E198-F202 HydrophobicContact CB-CD2 3.87Å; E198-F202 HydrophobicContact CB-CE2 4.21Å; E198-F202 HydrophobicContact CG-CD2 3.95Å; E198-F202 HydrophobicContact CG-CE2 3.77Å; E198-F202 WeakPolarHBondContact O-CB 3.47Å; E198-F202 PolarHBondContact O-N 3.02Å; F202-D204 PolarHBondContact O-N 2.62Å
203	K	82.9	Confident	74.6	Confident	127 Å²	127	96.3 Å²	96.3	55%	0.552	49%	0.491	S	S	*	.			trans	-63.4	124.9	172.7	-56.5	-166	179.7	-176.6	0	110.5	A199 P205	A199-K203 WeakPolarHBondContact O-CD 3.45Å; A199-K203 WeakPolarHBondContact O-CE 2.94Å; A199-K203 WeakPolarHBondContact O-CG 3.45Å; K203-P205 WeakPolarHBondContact O-CD 3.35Å
204	D	64.3	Low	73.6	Confident	51 Å²	51	100.7 Å²	100.7	27%	0.273	51%	0.512	S	S	.	.			trans	-73.6	120.8	165.5	-166.4	-27.4	0	0	0	108.3	F23 F202 N206 E207	F23-D204 HydrophobicContact CZ-CB 4.24Å; F202-D204 PolarHBondContact O-N 2.62Å; D204-N206 PolarHBondContact O-N 3.19Å; D204-N206 WeakPolarHBondContact OD1-CB 3.36Å; D204-N206 PolarHBondContact OD1-N 2.86Å; D204-N206 PolarHBondContact OD1-ND2 3.19Å; D204-E207 HydrophobicContact CB-CB 4.46Å; D204-E207 HydrophobicContact CB-CG 4.05Å; D204-E207 PolarHBondContact O-N 3.03Å
205	P	58.8	Low	72.4	Confident	106 Å²	106	104.7 Å²	104.7	69%	0.688	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12	173.9	22.8	-31.6	0	0	0	113.8	K203	K203-P205 WeakPolarHBondContact O-CD 3.35Å
206	N	55.7	Low	71.1	Confident	105 Å²	105	102.6 Å²	102.6	56%	0.561	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.6	178.3	-54.9	-61.6	0	0	0	114.7	D204 F208 N209	D204-N206 PolarHBondContact O-N 3.19Å; D204-N206 WeakPolarHBondContact OD1-CB 3.36Å; D204-N206 PolarHBondContact OD1-N 2.86Å; D204-N206 PolarHBondContact OD1-ND2 3.19Å; N206-F208 PolarHBondContact O-N 2.89Å; N206-N209 PolarHBondContact O-N 3.38Å
207	E	54.8	Low	69.6	Low	151 Å²	151	102 Å²	102	71%	0.706	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.6	-177.9	-90.1	-178.5	165.2	0	0	114.4	D204	D204-E207 HydrophobicContact CB-CB 4.46Å; D204-E207 HydrophobicContact CB-CG 4.05Å; D204-E207 PolarHBondContact O-N 3.03Å
208	F	48.5	Very low	67.8	Low	151 Å²	151	108.6 Å²	108.6	66%	0.662	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	4.2	177.6	-80.2	-82.9	0	0	0	114.7	N206	N206-F208 PolarHBondContact O-N 2.89Å
209	N	42.3	Very low	65.8	Low	136 Å²	136	113.2 Å²	113.2	73%	0.727	58%	0.584	S	S	*	*	S	Bend	trans	-91.7	2.4	179	-89.4	-6.2	0	0	0	114.6	N206	N206-N209 PolarHBondContact O-N 3.38Å
210	D	41.3	Very low	63.5	Low	156 Å²	156	117.8 Å²	117.8	83%	0.834	59%	0.592	S	S	*	*			trans	-118.5	41.3	178.6	-72.3	-35	0	0	0	112.8
211	M	36.8	Very low	61	Low	228 Å²	228	114.9 Å²	114.9	100%	1.123	58%	0.582	S	S	*	*			trans	-129.1	0	161.8	-83.8	-162.4	-73.3	0	0	112

Retrieved 211 of 211 residues in 517.1 ms (Link to these results)

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