A0A061II18_CRIGR Loading...

Calmodulin-4-like protein

AlphaFold DB , UniProt , Accession A0A061II18, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Calml5, Length 148 aa.

						>A0A061II18_CRIGR|A0A061II18|Calml5
MSHGFSKEQVDEFHAAFDRFDKNKDGHISVDELGDVMKQLGKNLSEEELKALISRVDTDSDGTISFDEFLAAMAKYKRGSTEQEMRAVFSVFDQDGDGHITVEELKQAMAQLGETISQEELDAMISEADVDKDGKVNYEEFARMLREK
					

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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	38.7	Very low	67.5	Low	203 Å²	203	95 Å²	95	100%	1	53%	0.525	S	S	*	.				0	143.6	0	-60.4	-168.5	-150.8	0	0	108	H3	M1-H3 PolarHBondContact O-N 3.2Å; M1-H3 PolarHBondContact O-ND1 2.87Å
2	S	45.8	Very low	68.5	Low	126 Å²	126	98.8 Å²	98.8	88%	0.881	54%	0.536	S	S	*	.			trans	-77.4	91.7	-169.1	50.7	0	0	0	0	111.4	G4	S2-G4 PolarHBondContact O-N 2.97Å
3	H	54.7	Low	69.5	Low	40 Å²	40	93.5 Å²	93.5	19%	0.185	51%	0.505	C	S	.	.			trans	-62.6	11.9	175.3	-75	84.9	0	0	0	114.9	M1 F5 D67 L70 A71	M1-H3 PolarHBondContact O-N 3.2Å; M1-H3 PolarHBondContact O-ND1 2.87Å; H3-F5 HydrophobicContact CB-CD2 3.49Å; H3-F5 VanDerWaalsContact CB-CD2 3.49Å; H3-F5 HydrophobicContact CB-CE2 3.85Å; H3-F5 WeakPolarHBondContact O-CD2 3.39Å; H3-F5 PolarHBondContact O-N 3.37Å; H3-D67 VanDerWaalsContact CE1-CG 3.5Å; H3-D67 IonicContact CE1-OD1 2.68Å; H3-D67 PolarHBondContact CE1-OD1 2.85Å; H3-D67 IonicContact CE1-OD2 2.87Å; H3-D67 PolarHBondContact CE1-OD2 3.13Å; H3-D67 VanDerWaalsContact CE1-OD2 3.28Å; H3-D67 IonicContact ND1-OD2 2.66Å; H3-D67 PolarHBondContact NE2-O 2.8Å; H3-D67 IonicContact NE2-OD1 3.65Å; H3-L70 HydrophobicContact CB-CB 4.45Å; H3-A71 PolarHBondContact CD2-N 3.39Å
4	G	62.6	Low	70.5	Confident	67 Å²	67	92.8 Å²	92.8	69%	0.691	50%	0.497	S	S	*	.	S	Bend	trans	68.5	13.9	179.9	0	0	0	0	0	114.4	S2	S2-G4 PolarHBondContact O-N 2.97Å
5	F	71.3	Confident	71.4	Confident	32 Å²	32	89.9 Å²	89.9	14%	0.14	49%	0.491	C	S	.	.			trans	-99	143.6	178.7	-62.8	-59.3	0	0	0	111.6	H3 Q9 V10 F13 L70 M73 A74 K77	H3-F5 HydrophobicContact CB-CD2 3.49Å; H3-F5 VanDerWaalsContact CB-CD2 3.49Å; H3-F5 HydrophobicContact CB-CE2 3.85Å; H3-F5 WeakPolarHBondContact O-CD2 3.39Å; H3-F5 PolarHBondContact O-N 3.37Å; F5-Q9 HydrophobicContact CB-CB 4.06Å; F5-Q9 HydrophobicContact CD1-CB 4.4Å; F5-V10 HydrophobicContact CB-CG2 3.75Å; F5-F13 AromaticContact CD1-CE2 3.69Å; F5-F13 HydrophobicContact CD1-CE2 3.69Å; F5-F13 HydrophobicContact CD2-CD2 4.43Å; F5-F13 HydrophobicContact CD2-CE2 4.22Å; F5-F13 AromaticContact CE1-CE2 3.58Å; F5-F13 HydrophobicContact CE1-CE2 3.58Å; F5-F13 HydrophobicContact CE1-CZ 4.06Å; F5-F13 HydrophobicContact CE2-CE2 4.13Å; F5-F13 HydrophobicContact CG-CD2 4.45Å; F5-F13 AromaticContact CG-CE2 4Å; F5-F13 HydrophobicContact CG-CE2 4Å; F5-F13 AromaticContact CZ-CE2 3.79Å; F5-F13 HydrophobicContact CZ-CE2 3.79Å; F5-F13 HydrophobicContact CZ-CZ 4.27Å; F5-L70 HydrophobicContact CD2-CD2 4.11Å; F5-L70 HydrophobicContact CE2-CB 4.48Å; F5-L70 HydrophobicContact CE2-CD2 4.22Å; F5-L70 WeakPolarHBondContact CE2-O 3.26Å; F5-M73 HydrophobicContact CZ-CB 4.32Å; F5-A74 HydrophobicContact CE2-CB 3.74Å; F5-A74 VanDerWaalsContact CZ-CA 3.45Å; F5-A74 HydrophobicContact CZ-CB 3.63Å; F5-K77 HydrophobicContact CE1-CD 3.87Å
6	S	78.1	Confident	72.2	Confident	49 Å²	49	86.1 Å²	86.1	34%	0.343	48%	0.475	S	S	.	.			trans	-68.7	161.1	168.9	71.3	0	0	0	0	110.4	E8 Q9 V10	S6-E8 PolarHBondContact O-N 3.18Å; S6-Q9 VanDerWaalsContact N-OE1 3.14Å; S6-Q9 WeakPolarHBondContact O-CB 3.17Å; S6-Q9 PolarHBondContact O-N 3.01Å; S6-Q9 VanDerWaalsContact O-N 3.11Å; S6-Q9 WeakPolarHBondContact OG-CG 3.39Å; S6-Q9 PolarHBondContact OG-N 3.44Å; S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 2.84Å
7	K	75.5	Confident	72.8	Confident	171 Å²	171	81.3 Å²	81.3	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-56.6	-40.9	178.5	-172.1	177.9	176.2	-174.8	0	111.9	Q9 V10 D11	K7-Q9 VanDerWaalsContact C-N 3.35Å; K7-Q9 PolarHBondContact O-N 3.36Å; K7-V10 PolarHBondContact O-N 3.46Å; K7-D11 PolarHBondContact O-N 2.98Å
8	E	79.6	Confident	73.6	Confident	156 Å²	156	80.5 Å²	80.5	73%	0.729	44%	0.443	S	S	*	.	H	α-helix	trans	-63	-39.8	177.7	-63.3	154	117.7	0	0	112.2	S6 D11 E12	S6-E8 PolarHBondContact O-N 3.18Å; E8-D11 PolarHBondContact O-N 3.43Å; E8-E12 PolarHBondContact O-N 2.94Å
9	Q	74.4	Confident	74.1	Confident	61 Å²	61	86.5 Å²	86.5	29%	0.285	46%	0.459	S	S	.	.	H	α-helix	trans	-66.8	-41.1	175.3	-74.3	174.5	-33.2	0	0	111.5	F5 S6 K7 D11 E12 F13	F5-Q9 HydrophobicContact CB-CB 4.06Å; F5-Q9 HydrophobicContact CD1-CB 4.4Å; S6-Q9 VanDerWaalsContact N-OE1 3.14Å; S6-Q9 WeakPolarHBondContact O-CB 3.17Å; S6-Q9 PolarHBondContact O-N 3.01Å; S6-Q9 VanDerWaalsContact O-N 3.11Å; S6-Q9 WeakPolarHBondContact OG-CG 3.39Å; S6-Q9 PolarHBondContact OG-N 3.44Å; K7-Q9 VanDerWaalsContact C-N 3.35Å; K7-Q9 PolarHBondContact O-N 3.36Å; Q9-D11 VanDerWaalsContact C-N 3.33Å; Q9-E12 PolarHBondContact O-N 3.24Å; Q9-F13 HydrophobicContact CB-CD2 4.44Å; Q9-F13 HydrophobicContact CB-CE2 4.12Å; Q9-F13 WeakPolarHBondContact O-CD2 3.35Å; Q9-F13 WeakPolarHBondContact O-CG 3.4Å; Q9-F13 PolarHBondContact O-N 3Å
10	V	80.9	Confident	74.5	Confident	45 Å²	45	83.6 Å²	83.6	27%	0.273	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.6	177	0	0	0	0	110.8	F5 S6 K7 F13 H14 F66	F5-V10 HydrophobicContact CB-CG2 3.75Å; S6-V10 WeakPolarHBondContact O-CG2 3.38Å; S6-V10 PolarHBondContact O-N 2.84Å; K7-V10 PolarHBondContact O-N 3.46Å; V10-F13 PolarHBondContact O-N 3.17Å; V10-H14 WeakPolarHBondContact O-CB 3.45Å; V10-H14 PolarHBondContact O-N 3.33Å; V10-F66 HydrophobicContact CG1-CE1 4.29Å; V10-F66 HydrophobicContact CG1-CZ 4.16Å
11	D	81.4	Confident	75.1	Confident	95 Å²	95	79.9 Å²	79.9	51%	0.508	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-40	175.4	-78.8	-46.7	0	0	0	111.8	K7 E8 Q9 H14 A15	K7-D11 PolarHBondContact O-N 2.98Å; E8-D11 PolarHBondContact O-N 3.43Å; Q9-D11 VanDerWaalsContact C-N 3.33Å; D11-H14 PolarHBondContact O-N 3.13Å; D11-A15 WeakPolarHBondContact O-CB 3.16Å; D11-A15 PolarHBondContact O-N 3.4Å
12	E	79.6	Confident	77.1	Confident	140 Å²	140	75.4 Å²	75.4	65%	0.654	40%	0.397	S	S	*	.	H	α-helix	trans	-65.8	-43.5	174.4	-172.2	175.6	91.1	0	0	112	E8 Q9 H14 A15 A16	E8-E12 PolarHBondContact O-N 2.94Å; Q9-E12 PolarHBondContact O-N 3.24Å; E12-H14 VanDerWaalsContact C-N 3.32Å; E12-H14 PolarHBondContact O-N 3.36Å; E12-A15 PolarHBondContact O-N 3.01Å; E12-A16 WeakPolarHBondContact O-CB 3.4Å; E12-A16 PolarHBondContact O-N 3.09Å
13	F	81.3	Confident	79	Confident	31 Å²	31	73.8 Å²	73.8	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-66	-34.2	175.4	-68.2	-48.9	0	0	0	112.3	F5 Q9 V10 A16 F17 F69 L70 M73	F5-F13 AromaticContact CD1-CE2 3.69Å; F5-F13 HydrophobicContact CD1-CE2 3.69Å; F5-F13 HydrophobicContact CD2-CD2 4.43Å; F5-F13 HydrophobicContact CD2-CE2 4.22Å; F5-F13 AromaticContact CE1-CE2 3.58Å; F5-F13 HydrophobicContact CE1-CE2 3.58Å; F5-F13 HydrophobicContact CE1-CZ 4.06Å; F5-F13 HydrophobicContact CE2-CE2 4.13Å; F5-F13 HydrophobicContact CG-CD2 4.45Å; F5-F13 AromaticContact CG-CE2 4Å; F5-F13 HydrophobicContact CG-CE2 4Å; F5-F13 AromaticContact CZ-CE2 3.79Å; F5-F13 HydrophobicContact CZ-CE2 3.79Å; F5-F13 HydrophobicContact CZ-CZ 4.27Å; Q9-F13 HydrophobicContact CB-CD2 4.44Å; Q9-F13 HydrophobicContact CB-CE2 4.12Å; Q9-F13 WeakPolarHBondContact O-CD2 3.35Å; Q9-F13 WeakPolarHBondContact O-CG 3.4Å; Q9-F13 PolarHBondContact O-N 3Å; V10-F13 PolarHBondContact O-N 3.17Å; F13-A16 PolarHBondContact O-N 2.91Å; F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.44Å; F13-F17 PolarHBondContact O-N 2.85Å; F13-F69 HydrophobicContact CB-CE1 4.21Å; F13-F69 HydrophobicContact CD1-CE1 4.42Å; F13-L70 HydrophobicContact CB-CD2 3.78Å; F13-L70 HydrophobicContact CD2-CD2 3.74Å; F13-L70 HydrophobicContact CG-CD2 4.04Å; F13-M73 HydrophobicContact CD1-CB 4.43Å; F13-M73 HydrophobicContact CD1-CG 4.05Å; F13-M73 HydrophobicContact CE1-CB 4.11Å; F13-M73 HydrophobicContact CE1-CG 3.98Å; F13-M73 HydrophobicContact CE1-SD 4.11Å; F13-M73 HydrophobicContact CZ-CB 4.24Å
14	H	83.4	Confident	80.4	Confident	83 Å²	83	79.3 Å²	79.3	38%	0.384	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-45.9	173.6	-166.9	-68.1	0	0	0	111	V10 D11 E12 A16 F17 D18 F66	V10-H14 WeakPolarHBondContact O-CB 3.45Å; V10-H14 PolarHBondContact O-N 3.33Å; D11-H14 PolarHBondContact O-N 3.13Å; E12-H14 VanDerWaalsContact C-N 3.32Å; E12-H14 PolarHBondContact O-N 3.36Å; H14-A16 VanDerWaalsContact C-N 3.25Å; H14-A16 PolarHBondContact O-N 3.2Å; H14-F17 PolarHBondContact O-N 3.38Å; H14-D18 IonicContact CE1-OD1 3.86Å; H14-D18 IonicContact CE1-OD2 3.18Å; H14-D18 PolarHBondContact CE1-OD2 2.78Å; H14-D18 IonicContact ND1-OD2 2.88Å; H14-D18 PolarHBondContact ND1-OD2 3.36Å; H14-D18 WeakPolarHBondContact O-CB 3.25Å; H14-D18 PolarHBondContact O-N 3.22Å; H14-F66 HydrophobicContact CB-CE2 4.03Å; H14-F66 HydrophobicContact CB-CZ 3.82Å; H14-F66 AromaticContact CD2-CZ 3.86Å
15	A	84.4	Confident	81.5	Confident	49 Å²	49	79.8 Å²	79.8	41%	0.405	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-32.7	175.9	0	0	0	0	0	112.3	D11 E12 R19	D11-A15 WeakPolarHBondContact O-CB 3.16Å; D11-A15 PolarHBondContact O-N 3.4Å; E12-A15 PolarHBondContact O-N 3.01Å; A15-R19 WeakPolarHBondContact O-CG 3.47Å
16	A	82.8	Confident	82.2	Confident	29 Å²	29	79.9 Å²	79.9	24%	0.24	40%	0.398	C	S	.	.	H	α-helix	trans	-67.1	-53.1	170.6	0	0	0	0	0	110.1	E12 F13 H14 D18 R19 F20	E12-A16 WeakPolarHBondContact O-CB 3.4Å; E12-A16 PolarHBondContact O-N 3.09Å; F13-A16 PolarHBondContact O-N 2.91Å; H14-A16 VanDerWaalsContact C-N 3.25Å; H14-A16 PolarHBondContact O-N 3.2Å; A16-D18 VanDerWaalsContact C-N 3.32Å; A16-D18 PolarHBondContact O-N 3.31Å; A16-R19 WeakPolarHBondContact O-CA 3.41Å; A16-R19 VanDerWaalsContact O-CB 3.25Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.25Å; A16-F20 HydrophobicContact CB-CE2 4.25Å; A16-F20 WeakPolarHBondContact O-CD2 3.4Å; A16-F20 WeakPolarHBondContact O-CE2 3.18Å; A16-F20 PolarHBondContact O-N 2.99Å
17	F	83.8	Confident	82.6	Confident	5 Å²	5	80.7 Å²	80.7	2%	0.022	40%	0.397	C	S	.	.	H	α-helix	trans	-53.3	-45.6	179.2	-171.4	-87.4	0	0	0	112.2	F13 H14 R19 F20 D21 G26 I28 F66 F69	F13-F17 VanDerWaalsContact O-CB 3.27Å; F13-F17 WeakPolarHBondContact O-CB 3.44Å; F13-F17 PolarHBondContact O-N 2.85Å; H14-F17 PolarHBondContact O-N 3.38Å; F17-R19 PolarHBondContact O-N 2.92Å; F17-R19 VanDerWaalsContact O-N 3.11Å; F17-F20 WeakPolarHBondContact O-CA 3.48Å; F17-F20 WeakPolarHBondContact O-CB 3.49Å; F17-F20 PolarHBondContact O-N 3.24Å; F17-D21 HydrophobicContact CD1-CB 4.2Å; F17-D21 HydrophobicContact CE1-CB 3.97Å; F17-D21 PolarHBondContact O-N 2.79Å; F17-G26 WeakPolarHBondContact CZ-O 3.43Å; F17-I28 HydrophobicContact CD2-CD1 3.39Å; F17-I28 HydrophobicContact CD2-CG1 4.01Å; F17-I28 HydrophobicContact CE1-CG1 4.42Å; F17-I28 HydrophobicContact CE2-CD1 3.34Å; F17-I28 HydrophobicContact CE2-CG1 3.54Å; F17-I28 HydrophobicContact CG-CD1 4.2Å; F17-I28 HydrophobicContact CZ-CD1 4.09Å; F17-I28 HydrophobicContact CZ-CG1 3.78Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 3.99Å; F17-F66 HydrophobicContact CD1-CD2 4.09Å; F17-F66 HydrophobicContact CD2-CB 4.46Å; F17-F66 AromaticContact CD2-CD2 3.75Å; F17-F66 HydrophobicContact CD2-CD2 3.75Å; F17-F66 HydrophobicContact CE1-CB 4.35Å; F17-F66 HydrophobicContact CE2-CB 4.18Å; F17-F66 HydrophobicContact CE2-CD2 4.31Å; F17-F66 AromaticContact CG-CD2 3.62Å; F17-F66 HydrophobicContact CG-CD2 3.62Å; F17-F66 HydrophobicContact CG-CE2 4.29Å; F17-F66 HydrophobicContact CZ-CB 4.13Å; F17-F69 HydrophobicContact CB-CD1 4.38Å; F17-F69 HydrophobicContact CB-CE1 4.35Å; F17-F69 HydrophobicContact CD2-CB 3.77Å; F17-F69 AromaticContact CD2-CD1 3.88Å; F17-F69 HydrophobicContact CD2-CD1 3.88Å; F17-F69 HydrophobicContact CD2-CD2 4.16Å; F17-F69 HydrophobicContact CD2-CE1 4.49Å; F17-F69 AromaticContact CD2-CG 3.68Å; F17-F69 HydrophobicContact CD2-CG 3.68Å; F17-F69 HydrophobicContact CE2-CB 3.89Å; F17-F69 HydrophobicContact CE2-CG 4.27Å
18	D	85.8	Confident	83.2	Confident	67 Å²	67	72.6 Å²	72.6	36%	0.358	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-21.2	174.6	-83.6	-41.6	0	0	0	113.9	H14 A16	H14-D18 IonicContact CE1-OD1 3.86Å; H14-D18 IonicContact CE1-OD2 3.18Å; H14-D18 PolarHBondContact CE1-OD2 2.78Å; H14-D18 IonicContact ND1-OD2 2.88Å; H14-D18 PolarHBondContact ND1-OD2 3.36Å; H14-D18 WeakPolarHBondContact O-CB 3.25Å; H14-D18 PolarHBondContact O-N 3.22Å; A16-D18 VanDerWaalsContact C-N 3.32Å; A16-D18 PolarHBondContact O-N 3.31Å
19	R	83.1	Confident	83.6	Confident	195 Å²	195	66.6 Å²	66.6	74%	0.736	34%	0.337	S	S	*	.	H	α-helix	trans	-83.6	-26.2	172.5	-65.6	172.2	-177.7	-172.9	2.8	112.2	A15 A16 F17	A15-R19 WeakPolarHBondContact O-CG 3.47Å; A16-R19 WeakPolarHBondContact O-CA 3.41Å; A16-R19 VanDerWaalsContact O-CB 3.25Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.25Å; F17-R19 PolarHBondContact O-N 2.92Å; F17-R19 VanDerWaalsContact O-N 3.11Å
20	F	82.5	Confident	84.2	Confident	27 Å²	27	65 Å²	65	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-80.8	-47.3	175	-63.5	-97.7	0	0	0	111	A16 F17 K22 I28 E32 L33 V36 F69	A16-F20 HydrophobicContact CB-CE2 4.25Å; A16-F20 WeakPolarHBondContact O-CD2 3.4Å; A16-F20 WeakPolarHBondContact O-CE2 3.18Å; A16-F20 PolarHBondContact O-N 2.99Å; F17-F20 WeakPolarHBondContact O-CA 3.48Å; F17-F20 WeakPolarHBondContact O-CB 3.49Å; F17-F20 PolarHBondContact O-N 3.24Å; F20-K22 PolarHBondContact O-N 3.25Å; F20-I28 HydrophobicContact CB-CD1 3.5Å; F20-I28 HydrophobicContact CB-CG1 3.8Å; F20-I28 HydrophobicContact CB-CG2 4.23Å; F20-I28 HydrophobicContact CD2-CD1 4.49Å; F20-I28 HydrophobicContact CG-CD1 4.05Å; F20-E32 WeakPolarHBondContact O-CB 3.31Å; F20-L33 HydrophobicContact CD1-CD1 4.39Å; F20-V36 HydrophobicContact CB-CG2 4.09Å; F20-V36 HydrophobicContact CD1-CB 3.39Å; F20-V36 HydrophobicContact CD1-CG1 3.39Å; F20-V36 HydrophobicContact CD1-CG2 3.42Å; F20-V36 VanDerWaalsContact CD1-CG2 3.42Å; F20-V36 HydrophobicContact CE1-CB 3.55Å; F20-V36 HydrophobicContact CE1-CG1 3.08Å; F20-V36 HydrophobicContact CE1-CG2 4.08Å; F20-V36 HydrophobicContact CE2-CG1 4.47Å; F20-V36 HydrophobicContact CG-CB 4.31Å; F20-V36 HydrophobicContact CG-CG1 4.2Å; F20-V36 HydrophobicContact CG-CG2 3.91Å; F20-V36 HydrophobicContact CZ-CG1 3.67Å; F20-F69 HydrophobicContact CE2-CE2 4.48Å; F20-F69 HydrophobicContact CE2-CZ 4.32Å
21	D	86.4	Confident	84.5	Confident	6 Å²	6	69 Å²	69	3%	0.032	35%	0.351	C	S	.	.			trans	-72.8	91.7	177.1	-179.4	3.8	0	0	0	110.5	F17 N23 K24 D25 G26	F17-D21 HydrophobicContact CD1-CB 4.2Å; F17-D21 HydrophobicContact CE1-CB 3.97Å; F17-D21 PolarHBondContact O-N 2.79Å; D21-N23 PolarHBondContact OD1-OD1 2.71Å; D21-K24 VanDerWaalsContact CG-CA 3.47Å; D21-K24 WeakPolarHBondContact OD1-CA 3.36Å; D21-K24 PolarHBondContact OD1-N 2.86Å; D21-K24 VanDerWaalsContact OD2-CA 3.26Å; D21-K24 WeakPolarHBondContact OD2-CA 3.49Å; D21-D25 PolarHBondContact OD1-N 2.92Å; D21-D25 PolarHBondContact OD2-N 3.08Å; D21-G26 WeakPolarHBondContact OD2-CA 3.27Å; D21-G26 PolarHBondContact OD2-N 2.77Å
22	K	82.6	Confident	84.9	Confident	110 Å²	110	65.1 Å²	65.1	48%	0.478	33%	0.33	S	S	.	.	S	Bend	trans	-77.8	-35.8	-176.8	-71.9	-174.1	179.5	177.8	0	111.3	F20 K24 E32 D35	F20-K22 PolarHBondContact O-N 3.25Å; K22-K24 VanDerWaalsContact C-N 3.32Å; K22-E32 PolarHBondContact N-OE1 3.03Å; K22-D35 VanDerWaalsContact NZ-CG 3.31Å; K22-D35 IonicContact NZ-OD2 3.97Å; K22-D35 PolarHBondContact NZ-OD2 3.28Å
23	N	85.1	Confident	85.1	Confident	92 Å²	92	59.2 Å²	59.2	49%	0.492	30%	0.303	S	S	.	.	S	Bend	trans	-84.9	-10.7	-176.5	74.1	8.5	0	0	0	112.4	D21 D25 E32	D21-N23 PolarHBondContact OD1-OD1 2.71Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 VanDerWaalsContact ND2-CG 3.34Å; N23-D25 PolarHBondContact ND2-OD2 3.23Å; N23-D25 PolarHBondContact O-N 2.86Å; N23-D25 VanDerWaalsContact OD1-CB 3.24Å; N23-D25 WeakPolarHBondContact OD1-CB 3.34Å; N23-D25 PolarHBondContact OD1-N 2.97Å; N23-D25 PolarHBondContact OD1-OD1 3.12Å; N23-D25 PolarHBondContact OD1-OD2 3.34Å; N23-E32 PolarHBondContact N-OE1 3.28Å
24	K	84.4	Confident	85.3	Confident	156 Å²	156	58 Å²	58	68%	0.678	30%	0.299	S	S	*	.			trans	59.8	34.9	-179.1	-60.2	-167.9	173.2	-163.1	0	113.1	D21 K22 G26	D21-K24 VanDerWaalsContact CG-CA 3.47Å; D21-K24 WeakPolarHBondContact OD1-CA 3.36Å; D21-K24 PolarHBondContact OD1-N 2.86Å; D21-K24 VanDerWaalsContact OD2-CA 3.26Å; D21-K24 WeakPolarHBondContact OD2-CA 3.49Å; K22-K24 VanDerWaalsContact C-N 3.32Å; K24-G26 VanDerWaalsContact C-N 3.28Å
25	D	85.6	Confident	85.4	Confident	77 Å²	77	57.1 Å²	57.1	41%	0.412	30%	0.297	S	S	.	.	S	Bend	trans	-85	-3.8	176.9	75.2	13.6	0	0	0	113	D21 N23 H27	D21-D25 PolarHBondContact OD1-N 2.92Å; D21-D25 PolarHBondContact OD2-N 3.08Å; N23-D25 VanDerWaalsContact C-N 3.27Å; N23-D25 VanDerWaalsContact ND2-CG 3.34Å; N23-D25 PolarHBondContact ND2-OD2 3.23Å; N23-D25 PolarHBondContact O-N 2.86Å; N23-D25 VanDerWaalsContact OD1-CB 3.24Å; N23-D25 WeakPolarHBondContact OD1-CB 3.34Å; N23-D25 PolarHBondContact OD1-N 2.97Å; N23-D25 PolarHBondContact OD1-OD1 3.12Å; N23-D25 PolarHBondContact OD1-OD2 3.34Å; D25-H27 PolarHBondContact O-CE1 3.17Å; D25-H27 PolarHBondContact O-ND1 2.97Å; D25-H27 WeakPolarHBondContact OD1-CA 3.39Å; D25-H27 WeakPolarHBondContact OD1-CB 3.42Å; D25-H27 IonicContact OD1-CG 3.93Å; D25-H27 PolarHBondContact OD1-N 3.3Å; D25-H27 IonicContact OD1-ND1 3.62Å
26	G	84.5	Confident	85.3	Confident	33 Å²	33	55.2 Å²	55.2	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	86	6.8	179.8	0	0	0	0	0	114.3	F17 D21 K24	F17-G26 WeakPolarHBondContact CZ-O 3.43Å; D21-G26 WeakPolarHBondContact OD2-CA 3.27Å; D21-G26 PolarHBondContact OD2-N 2.77Å; K24-G26 VanDerWaalsContact C-N 3.28Å
27	H	87.4	Confident	85.2	Confident	67 Å²	67	55.7 Å²	55.7	31%	0.31	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.5	-177.2	-51.1	73.6	0	0	0	109.7	D25 T63 I64	D25-H27 PolarHBondContact O-CE1 3.17Å; D25-H27 PolarHBondContact O-ND1 2.97Å; D25-H27 WeakPolarHBondContact OD1-CA 3.39Å; D25-H27 WeakPolarHBondContact OD1-CB 3.42Å; D25-H27 IonicContact OD1-CG 3.93Å; D25-H27 PolarHBondContact OD1-N 3.3Å; D25-H27 IonicContact OD1-ND1 3.62Å; H27-T63 HydrophobicContact CB-CG2 4.42Å; H27-I64 CarbonylContact C-O 3.59Å; H27-I64 WeakPolarHBondContact CA-O 3.37Å
28	I	87.4	Confident	85.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.3	174.7	-59.7	166.5	0	0	0	108.4	F17 F20 E32 L33 T63 I64 F69	F17-I28 HydrophobicContact CD2-CD1 3.39Å; F17-I28 HydrophobicContact CD2-CG1 4.01Å; F17-I28 HydrophobicContact CE1-CG1 4.42Å; F17-I28 HydrophobicContact CE2-CD1 3.34Å; F17-I28 HydrophobicContact CE2-CG1 3.54Å; F17-I28 HydrophobicContact CG-CD1 4.2Å; F17-I28 HydrophobicContact CZ-CD1 4.09Å; F17-I28 HydrophobicContact CZ-CG1 3.78Å; F20-I28 HydrophobicContact CB-CD1 3.5Å; F20-I28 HydrophobicContact CB-CG1 3.8Å; F20-I28 HydrophobicContact CB-CG2 4.23Å; F20-I28 HydrophobicContact CD2-CD1 4.49Å; F20-I28 HydrophobicContact CG-CD1 4.05Å; I28-E32 HydrophobicContact CG2-CB 4.1Å; I28-L33 HydrophobicContact CG2-CB 3.95Å; I28-T63 WeakPolarHBondContact O-CA 3.35Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 2.96Å; I28-I64 PolarHBondContact O-N 2.68Å; I28-F69 HydrophobicContact CD1-CD2 4.04Å; I28-F69 HydrophobicContact CD1-CE2 4.36Å
29	S	88.5	Confident	84.6	Confident	30 Å²	30	64.7 Å²	64.7	21%	0.21	32%	0.317	C	S	.	.			trans	-78	162.7	174.5	-61.3	0	0	0	0	112.4	D31 E32 L33	S29-D31 VanDerWaalsContact C-N 3.25Å; S29-D31 PolarHBondContact O-N 3.38Å; S29-E32 PolarHBondContact N-OE2 3.14Å; S29-E32 PolarHBondContact O-N 2.79Å; S29-E32 VanDerWaalsContact O-N 3.1Å; S29-L33 PolarHBondContact O-N 3.29Å
30	V	87.3	Confident	84	Confident	28 Å²	28	61.1 Å²	61.1	17%	0.17	31%	0.311	C	S	.	.	H	α-helix	trans	-51.5	-44.9	173.9	-176.4	0	0	0	0	111.9	G34 E46 L49 K50 I53	V30-G34 PolarHBondContact O-N 2.87Å; V30-E46 HydrophobicContact CG1-CG 4.3Å; V30-L49 HydrophobicContact CG1-CB 3.83Å; V30-K50 HydrophobicContact CG1-CG 4.07Å; V30-K50 HydrophobicContact CG2-CG 4.08Å; V30-I53 HydrophobicContact CB-CD1 3.8Å; V30-I53 HydrophobicContact CG1-CD1 4.33Å; V30-I53 HydrophobicContact CG2-CD1 3.36Å
31	D	87.2	Confident	83.8	Confident	129 Å²	129	63.1 Å²	63.1	69%	0.69	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-42.3	179	-67.8	-83.8	0	0	0	112.4	S29 G34 D35	S29-D31 VanDerWaalsContact C-N 3.25Å; S29-D31 PolarHBondContact O-N 3.38Å; D31-G34 PolarHBondContact O-N 3.26Å; D31-D35 PolarHBondContact O-N 2.91Å
32	E	89	Confident	83.1	Confident	13 Å²	13	69.3 Å²	69.3	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-68.6	-43.7	-179.7	-72.2	177.8	131.4	0	0	111.8	F20 K22 N23 I28 S29 G34 D35 V36	F20-E32 WeakPolarHBondContact O-CB 3.31Å; K22-E32 PolarHBondContact N-OE1 3.03Å; N23-E32 PolarHBondContact N-OE1 3.28Å; I28-E32 HydrophobicContact CG2-CB 4.1Å; S29-E32 PolarHBondContact N-OE2 3.14Å; S29-E32 PolarHBondContact O-N 2.79Å; S29-E32 VanDerWaalsContact O-N 3.1Å; E32-G34 VanDerWaalsContact C-N 3.28Å; E32-G34 PolarHBondContact O-N 2.84Å; E32-D35 PolarHBondContact O-N 3.43Å; E32-V36 VanDerWaalsContact O-CG2 3.27Å; E32-V36 WeakPolarHBondContact O-CG2 3.32Å; E32-V36 PolarHBondContact O-N 3.03Å; E32-V36 VanDerWaalsContact O-N 3.14Å
33	L	84.4	Confident	82.9	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-59	-43.1	172.1	-176	63.7	0	0	0	110.9	F20 I28 S29 V36 M37 L49 L52 I53 I64	F20-L33 HydrophobicContact CD1-CD1 4.39Å; I28-L33 HydrophobicContact CG2-CB 3.95Å; S29-L33 PolarHBondContact O-N 3.29Å; L33-V36 PolarHBondContact O-N 2.78Å; L33-M37 HydrophobicContact CD1-CE 3.78Å; L33-M37 HydrophobicContact CD1-CG 4.41Å; L33-M37 HydrophobicContact CG-CE 4.48Å; L33-M37 HydrophobicContact CG-CG 4.41Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 WeakPolarHBondContact O-CG 3.27Å; L33-M37 PolarHBondContact O-N 3.44Å; L33-L49 HydrophobicContact CB-CD2 4.36Å; L33-L49 HydrophobicContact CD2-CD2 3.97Å; L33-L49 HydrophobicContact CG-CD2 3.83Å; L33-L52 HydrophobicContact CD2-CB 4.38Å; L33-I53 HydrophobicContact CD2-CD1 4.06Å; L33-I53 HydrophobicContact CD2-CG1 3.86Å; L33-I64 HydrophobicContact CD2-CD1 4.49Å
34	G	85.4	Confident	82.7	Confident	6 Å²	6	68.4 Å²	68.4	6%	0.062	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-43.7	178.6	0	0	0	0	0	113.3	V30 D31 E32 V36 M37 K38	V30-G34 PolarHBondContact O-N 2.87Å; D31-G34 PolarHBondContact O-N 3.26Å; E32-G34 VanDerWaalsContact C-N 3.28Å; E32-G34 PolarHBondContact O-N 2.84Å; G34-V36 VanDerWaalsContact C-N 3.3Å; G34-V36 PolarHBondContact O-N 2.91Å; G34-M37 PolarHBondContact O-N 3.1Å; G34-K38 VanDerWaalsContact O-CG 3.27Å; G34-K38 WeakPolarHBondContact O-CG 3.36Å; G34-K38 PolarHBondContact O-N 2.75Å
35	D	85.7	Confident	82.8	Confident	64 Å²	64	63.5 Å²	63.5	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.3	-89.4	-22.6	0	0	0	112.3	K22 D31 E32 K38 Q39	K22-D35 VanDerWaalsContact NZ-CG 3.31Å; K22-D35 IonicContact NZ-OD2 3.97Å; K22-D35 PolarHBondContact NZ-OD2 3.28Å; D31-D35 PolarHBondContact O-N 2.91Å; E32-D35 PolarHBondContact O-N 3.43Å; D35-K38 WeakPolarHBondContact O-CB 3.38Å; D35-K38 PolarHBondContact O-N 3.06Å; D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 2.69Å
36	V	82.8	Confident	82.7	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-75.1	-38.8	-179.5	-175.8	0	0	0	0	111.2	F20 E32 L33 G34 K38 Q39 L40	F20-V36 HydrophobicContact CB-CG2 4.09Å; F20-V36 HydrophobicContact CD1-CB 3.39Å; F20-V36 HydrophobicContact CD1-CG1 3.39Å; F20-V36 HydrophobicContact CD1-CG2 3.42Å; F20-V36 VanDerWaalsContact CD1-CG2 3.42Å; F20-V36 HydrophobicContact CE1-CB 3.55Å; F20-V36 HydrophobicContact CE1-CG1 3.08Å; F20-V36 HydrophobicContact CE1-CG2 4.08Å; F20-V36 HydrophobicContact CE2-CG1 4.47Å; F20-V36 HydrophobicContact CG-CB 4.31Å; F20-V36 HydrophobicContact CG-CG1 4.2Å; F20-V36 HydrophobicContact CG-CG2 3.91Å; F20-V36 HydrophobicContact CZ-CG1 3.67Å; E32-V36 VanDerWaalsContact O-CG2 3.27Å; E32-V36 WeakPolarHBondContact O-CG2 3.32Å; E32-V36 PolarHBondContact O-N 3.03Å; E32-V36 VanDerWaalsContact O-N 3.14Å; L33-V36 PolarHBondContact O-N 2.78Å; G34-V36 VanDerWaalsContact C-N 3.3Å; G34-V36 PolarHBondContact O-N 2.91Å; V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 2.89Å; V36-Q39 CarbonylContact O-C 3.6Å; V36-Q39 WeakPolarHBondContact O-CA 3.28Å; V36-Q39 WeakPolarHBondContact O-CB 3.48Å; V36-Q39 PolarHBondContact O-N 3.08Å; V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 HydrophobicContact CG1-CG 4.49Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.88Å
37	M	79.8	Confident	82.8	Confident	39 Å²	39	71.8 Å²	71.8	19%	0.192	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-40.3	173.9	-71	-70.7	171.5	0	0	111.1	L33 G34 L40 G41 K42 L44 L49	L33-M37 HydrophobicContact CD1-CE 3.78Å; L33-M37 HydrophobicContact CD1-CG 4.41Å; L33-M37 HydrophobicContact CG-CE 4.48Å; L33-M37 HydrophobicContact CG-CG 4.41Å; L33-M37 WeakPolarHBondContact O-CB 3.47Å; L33-M37 WeakPolarHBondContact O-CG 3.27Å; L33-M37 PolarHBondContact O-N 3.44Å; G34-M37 PolarHBondContact O-N 3.1Å; M37-L40 CarbonylContact O-C 3.56Å; M37-L40 PolarHBondContact O-N 3.13Å; M37-G41 PolarHBondContact O-N 3.46Å; M37-K42 CarbonylContact C-O 3.6Å; M37-K42 CarbonylContact O-C 3.04Å; M37-K42 WeakPolarHBondContact O-CA 3.5Å; M37-K42 PolarHBondContact O-N 3.42Å; M37-L44 HydrophobicContact CB-CD1 4.21Å; M37-L44 HydrophobicContact CG-CD1 3.85Å; M37-L44 HydrophobicContact SD-CD1 3.88Å; M37-L49 HydrophobicContact CG-CD2 4.14Å
38	K	81.9	Confident	82.6	Confident	118 Å²	118	73.1 Å²	73.1	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-42.7	171.4	-72.3	172.5	-176.3	167.6	0	112.5	G34 D35 V36 L40 G41 K42 N43	G34-K38 VanDerWaalsContact O-CG 3.27Å; G34-K38 WeakPolarHBondContact O-CG 3.36Å; G34-K38 PolarHBondContact O-N 2.75Å; D35-K38 WeakPolarHBondContact O-CB 3.38Å; D35-K38 PolarHBondContact O-N 3.06Å; V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 2.89Å; K38-L40 VanDerWaalsContact C-N 3.26Å; K38-L40 PolarHBondContact O-N 3.23Å; K38-G41 PolarHBondContact O-N 2.85Å; K38-K42 PolarHBondContact N-O 3.41Å; K38-N43 WeakPolarHBondContact CG-OD1 3.13Å
39	Q	76.1	Confident	82.5	Confident	144 Å²	144	73.6 Å²	73.6	67%	0.673	39%	0.388	S	S	*	.	H	α-helix	trans	-63.6	-31.3	176.1	-73.7	-179.7	3	0	0	112.9	D35 V36 G41	D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 2.69Å; V36-Q39 CarbonylContact O-C 3.6Å; V36-Q39 WeakPolarHBondContact O-CA 3.28Å; V36-Q39 WeakPolarHBondContact O-CB 3.48Å; V36-Q39 PolarHBondContact O-N 3.08Å; Q39-G41 PolarHBondContact O-N 3.2Å
40	L	70.9	Confident	82.3	Confident	120 Å²	120	77.2 Å²	77.2	63%	0.628	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	3.6	172.8	-64.9	174.9	0	0	0	113.3	V36 M37 K38 K42	V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 HydrophobicContact CG1-CG 4.49Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 2.88Å; M37-L40 CarbonylContact O-C 3.56Å; M37-L40 PolarHBondContact O-N 3.13Å; K38-L40 VanDerWaalsContact C-N 3.26Å; K38-L40 PolarHBondContact O-N 3.23Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.42Å
41	G	77.1	Confident	82.2	Confident	69 Å²	69	78.2 Å²	78.2	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	10	-179.6	0	0	0	0	0	114.4	M37 K38 Q39	M37-G41 PolarHBondContact O-N 3.46Å; K38-G41 PolarHBondContact O-N 2.85Å; Q39-G41 PolarHBondContact O-N 3.2Å
42	K	72.8	Confident	81.9	Confident	135 Å²	135	75.1 Å²	75.1	59%	0.587	39%	0.394	S	S	*	.			trans	-101.9	105.1	175.3	-66.5	-164	178.4	-172.8	0	110.3	M37 K38 L40 L44	M37-K42 CarbonylContact C-O 3.6Å; M37-K42 CarbonylContact O-C 3.04Å; M37-K42 WeakPolarHBondContact O-CA 3.5Å; M37-K42 PolarHBondContact O-N 3.42Å; K38-K42 PolarHBondContact N-O 3.41Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.42Å; K42-L44 PolarHBondContact O-N 2.87Å
43	N	78.4	Confident	81.7	Confident	137 Å²	137	74.8 Å²	74.8	73%	0.733	39%	0.393	S	S	*	.			trans	-81.5	93.5	170.5	-97.5	15	0	0	0	109.8	K38	K38-N43 WeakPolarHBondContact CG-OD1 3.13Å
44	L	79.9	Confident	81.6	Confident	46 Å²	46	78.3 Å²	78.3	24%	0.241	42%	0.419	C	S	.	.			trans	-90.5	144.6	170.2	-61.9	174.5	0	0	0	110	M37 K42 E48 L49 L52	M37-L44 HydrophobicContact CB-CD1 4.21Å; M37-L44 HydrophobicContact CG-CD1 3.85Å; M37-L44 HydrophobicContact SD-CD1 3.88Å; K42-L44 PolarHBondContact O-N 2.87Å; L44-E48 HydrophobicContact CB-CB 4.23Å; L44-E48 HydrophobicContact CD2-CB 4.5Å; L44-L49 HydrophobicContact CB-CD2 4.08Å; L44-L49 HydrophobicContact CB-CG 4.11Å; L44-L49 HydrophobicContact CD1-CD2 4.13Å; L44-L52 HydrophobicContact CD1-CD1 3.68Å
45	S	86.6	Confident	81.4	Confident	53 Å²	53	87.4 Å²	87.4	37%	0.371	45%	0.451	S	S	.	.			trans	-73	159.5	172.9	59.9	0	0	0	0	111.4	E47 E48 L49	S45-E47 PolarHBondContact O-N 3.21Å; S45-E48 PolarHBondContact N-OE2 3.42Å; S45-E48 PolarHBondContact O-N 3.47Å; S45-E48 VanDerWaalsContact O-N 3.09Å; S45-E48 VanDerWaalsContact OG-CG 3.26Å; S45-E48 WeakPolarHBondContact OG-CG 3.45Å; S45-E48 PolarHBondContact OG-N 2.79Å; S45-E48 PolarHBondContact OG-OE2 3.25Å; S45-L49 WeakPolarHBondContact O-CG 3.5Å; S45-L49 PolarHBondContact O-N 3.06Å
46	E	84.1	Confident	81.2	Confident	122 Å²	122	85.8 Å²	85.8	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-58.6	-35.5	176.6	-167.1	-173.8	113	0	0	111.9	V30 L49 K50	V30-E46 HydrophobicContact CG1-CG 4.3Å; E46-L49 PolarHBondContact O-N 3.4Å; E46-K50 HydrophobicContact CG-CD 4.37Å; E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CG 3.26Å; E46-K50 PolarHBondContact O-N 2.89Å; E46-K50 WeakPolarHBondContact OE1-CE 3.48Å; E46-K50 IonicContact OE1-NZ 3.41Å; E46-K50 PolarHBondContact OE1-NZ 2.97Å
47	E	85.9	Confident	81.3	Confident	162 Å²	162	86.3 Å²	86.3	76%	0.757	45%	0.446	S	S	*	.	H	α-helix	trans	-64.5	-40.8	175.4	-63.2	-173.2	97.9	0	0	111.9	S45 A51	S45-E47 PolarHBondContact O-N 3.21Å; E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 2.78Å
48	E	84	Confident	81.3	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.444	47%	0.47	S	S	.	.	H	α-helix	trans	-67.7	-40.6	174.9	-74.2	173.6	124.7	0	0	112	L44 S45 A51 L52	L44-E48 HydrophobicContact CB-CB 4.23Å; L44-E48 HydrophobicContact CD2-CB 4.5Å; S45-E48 PolarHBondContact N-OE2 3.42Å; S45-E48 PolarHBondContact O-N 3.47Å; S45-E48 VanDerWaalsContact O-N 3.09Å; S45-E48 VanDerWaalsContact OG-CG 3.26Å; S45-E48 WeakPolarHBondContact OG-CG 3.45Å; S45-E48 PolarHBondContact OG-N 2.79Å; S45-E48 PolarHBondContact OG-OE2 3.25Å; E48-A51 PolarHBondContact O-N 2.93Å; E48-L52 WeakPolarHBondContact O-CB 3.36Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.23Å
49	L	84.7	Confident	81.4	Confident	12 Å²	12	89 Å²	89	6%	0.063	47%	0.471	C	S	.	.	H	α-helix	trans	-63.6	-44.6	176.3	-67.3	167.4	0	0	0	111.3	V30 L33 M37 L44 S45 E46 A51 L52 I53	V30-L49 HydrophobicContact CG1-CB 3.83Å; L33-L49 HydrophobicContact CB-CD2 4.36Å; L33-L49 HydrophobicContact CD2-CD2 3.97Å; L33-L49 HydrophobicContact CG-CD2 3.83Å; M37-L49 HydrophobicContact CG-CD2 4.14Å; L44-L49 HydrophobicContact CB-CD2 4.08Å; L44-L49 HydrophobicContact CB-CG 4.11Å; L44-L49 HydrophobicContact CD1-CD2 4.13Å; S45-L49 WeakPolarHBondContact O-CG 3.5Å; S45-L49 PolarHBondContact O-N 3.06Å; E46-L49 PolarHBondContact O-N 3.4Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 3.26Å; L49-L52 WeakPolarHBondContact O-CB 3.09Å; L49-L52 PolarHBondContact O-N 2.76Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.97Å
50	K	84.4	Confident	81.7	Confident	105 Å²	105	86.8 Å²	86.8	46%	0.457	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-40.3	173.6	-79.1	174.2	172.3	165.6	0	112.1	V30 E46 L52 I53 S54	V30-K50 HydrophobicContact CG1-CG 4.07Å; V30-K50 HydrophobicContact CG2-CG 4.08Å; E46-K50 HydrophobicContact CG-CD 4.37Å; E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CG 3.26Å; E46-K50 PolarHBondContact O-N 2.89Å; E46-K50 WeakPolarHBondContact OE1-CE 3.48Å; E46-K50 IonicContact OE1-NZ 3.41Å; E46-K50 PolarHBondContact OE1-NZ 2.97Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.21Å; K50-I53 PolarHBondContact O-N 2.95Å; K50-S54 VanDerWaalsContact O-CB 3.26Å; K50-S54 WeakPolarHBondContact O-CB 3.05Å; K50-S54 PolarHBondContact O-N 3.02Å
51	A	84.4	Confident	82.3	Confident	49 Å²	49	84.7 Å²	84.7	41%	0.405	46%	0.461	S	S	.	.	H	α-helix	trans	-66.2	-34.8	175.6	0	0	0	0	0	112.3	E47 E48 L49 R55	E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 2.78Å; E48-A51 PolarHBondContact O-N 2.93Å; L49-A51 VanDerWaalsContact C-N 3.34Å; L49-A51 PolarHBondContact O-N 3.26Å; A51-R55 VanDerWaalsContact O-CG 3.26Å; A51-R55 WeakPolarHBondContact O-CG 3.27Å; A51-R55 PolarHBondContact O-N 3.18Å
52	L	81.8	Confident	82.6	Confident	64 Å²	64	83.1 Å²	83.1	34%	0.335	45%	0.445	S	S	.	.	H	α-helix	trans	-68	-45.6	174.1	-74.1	172.9	0	0	0	111.5	L33 L44 E48 L49 K50 R55	L33-L52 HydrophobicContact CD2-CB 4.38Å; L44-L52 HydrophobicContact CD1-CD1 3.68Å; E48-L52 WeakPolarHBondContact O-CB 3.36Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.23Å; L49-L52 WeakPolarHBondContact O-CB 3.09Å; L49-L52 PolarHBondContact O-N 2.76Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.21Å; L52-R55 PolarHBondContact O-N 2.93Å
53	I	83.7	Confident	83.3	Confident	6 Å²	6	78 Å²	78	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-60.8	-52.8	176	-73.3	165.4	0	0	0	109.7	V30 L33 L49 K50 R55 V56 D57 I64	V30-I53 HydrophobicContact CB-CD1 3.8Å; V30-I53 HydrophobicContact CG1-CD1 4.33Å; V30-I53 HydrophobicContact CG2-CD1 3.36Å; L33-I53 HydrophobicContact CD2-CD1 4.06Å; L33-I53 HydrophobicContact CD2-CG1 3.86Å; L49-I53 WeakPolarHBondContact O-CG1 3.43Å; L49-I53 PolarHBondContact O-N 2.97Å; K50-I53 PolarHBondContact O-N 2.95Å; I53-R55 PolarHBondContact O-N 3.39Å; I53-V56 CarbonylContact O-C 3.58Å; I53-V56 WeakPolarHBondContact O-CA 3.34Å; I53-V56 PolarHBondContact O-N 3.37Å; I53-D57 HydrophobicContact CG2-CB 3.88Å; I53-D57 WeakPolarHBondContact O-CB 3.23Å; I53-D57 PolarHBondContact O-N 2.83Å; I53-I64 HydrophobicContact CB-CD1 4.49Å; I53-I64 HydrophobicContact CB-CG1 4.47Å; I53-I64 HydrophobicContact CG1-CD1 3.69Å; I53-I64 HydrophobicContact CG1-CG1 3.97Å; I53-I64 HydrophobicContact CG2-CG1 4.28Å
54	S	84.1	Confident	83.7	Confident	90 Å²	90	72 Å²	72	63%	0.629	39%	0.393	S	S	*	.	H	α-helix	trans	-59.5	-17.7	-179.9	178.3	0	0	0	0	115	K50	K50-S54 VanDerWaalsContact O-CB 3.26Å; K50-S54 WeakPolarHBondContact O-CB 3.05Å; K50-S54 PolarHBondContact O-N 3.02Å
55	R	81.3	Confident	84.1	Confident	197 Å²	197	70.9 Å²	70.9	74%	0.743	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.5	173.9	-79.9	172.3	172.6	-176.2	-0.3	113.6	A51 L52 I53	A51-R55 VanDerWaalsContact O-CG 3.26Å; A51-R55 WeakPolarHBondContact O-CG 3.27Å; A51-R55 PolarHBondContact O-N 3.18Å; L52-R55 PolarHBondContact O-N 2.93Å; I53-R55 PolarHBondContact O-N 3.39Å
56	V	80.3	Confident	84	Confident	30 Å²	30	70.9 Å²	70.9	18%	0.182	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-44.7	-171.1	172.9	0	0	0	0	110.5	I53 T58 I64 E68 A72	I53-V56 CarbonylContact O-C 3.58Å; I53-V56 WeakPolarHBondContact O-CA 3.34Å; I53-V56 PolarHBondContact O-N 3.37Å; V56-T58 PolarHBondContact O-N 3.36Å; V56-T58 PolarHBondContact O-OG1 2.99Å; V56-I64 HydrophobicContact CG1-CD1 4.38Å; V56-I64 HydrophobicContact CG1-CG1 4.26Å; V56-I64 HydrophobicContact CG1-CG2 3.93Å; V56-E68 HydrophobicContact CG1-CB 3.92Å; V56-E68 VanDerWaalsContact CG1-O 3.31Å; V56-E68 WeakPolarHBondContact CG1-O 3.46Å; V56-A72 HydrophobicContact CB-CB 4.2Å; V56-A72 HydrophobicContact CG1-CB 3.6Å; V56-A72 HydrophobicContact CG2-CB 3.53Å
57	D	84.7	Confident	84	Confident	19 Å²	19	68.8 Å²	68.8	10%	0.102	38%	0.375	C	S	.	.			trans	-56.7	99.3	172.2	179.9	5.2	0	0	0	109.8	I53 D59 S60 D61 G62 E68	I53-D57 HydrophobicContact CG2-CB 3.88Å; I53-D57 WeakPolarHBondContact O-CB 3.23Å; I53-D57 PolarHBondContact O-N 2.83Å; D57-D59 VanDerWaalsContact OD1-OD1 3.12Å; D57-S60 WeakPolarHBondContact OD1-CA 3.17Å; D57-S60 PolarHBondContact OD1-N 3.07Å; D57-S60 WeakPolarHBondContact OD2-CA 3.09Å; D57-D61 PolarHBondContact OD1-N 3.29Å; D57-D61 VanDerWaalsContact OD1-N 3.16Å; D57-D61 PolarHBondContact OD2-N 3.4Å; D57-G62 WeakPolarHBondContact OD2-CA 3.32Å; D57-G62 PolarHBondContact OD2-N 3.03Å; D57-E68 WeakPolarHBondContact CA-OE1 3.46Å
58	T	80.3	Confident	84	Confident	115 Å²	115	61.7 Å²	61.7	71%	0.706	34%	0.342	S	S	*	.	S	Bend	trans	-94.2	-28.3	-174.4	-56.8	0	0	0	0	110.7	V56 E68	V56-T58 PolarHBondContact O-N 3.36Å; V56-T58 PolarHBondContact O-OG1 2.99Å; T58-E68 PolarHBondContact N-OE1 2.97Å
59	D	83.4	Confident	84	Confident	98 Å²	98	58 Å²	58	52%	0.524	33%	0.325	S	S	.	.	S	Bend	trans	-89.4	-5.5	175.4	68.7	14.6	0	0	0	113.7	D57 D61 E68	D57-D59 VanDerWaalsContact OD1-OD1 3.12Å; D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 3.11Å; D59-D61 VanDerWaalsContact OD1-CB 3.3Å; D59-D61 WeakPolarHBondContact OD1-CB 3.4Å; D59-D61 VanDerWaalsContact OD1-CG 3.24Å; D59-D61 PolarHBondContact OD1-N 3.31Å; D59-D61 VanDerWaalsContact OD1-N 3.09Å; D59-E68 PolarHBondContact N-OE1 2.87Å
60	S	82.6	Confident	83.9	Confident	99 Å²	99	57.9 Å²	57.9	69%	0.692	32%	0.324	S	S	*	.			trans	60.4	32.5	178.4	-55.8	0	0	0	0	113.2	D57	D57-S60 WeakPolarHBondContact OD1-CA 3.17Å; D57-S60 PolarHBondContact OD1-N 3.07Å; D57-S60 WeakPolarHBondContact OD2-CA 3.09Å
61	D	84.9	Confident	83.7	Confident	76 Å²	76	54.4 Å²	54.4	41%	0.406	32%	0.315	S	S	.	.	S	Bend	trans	-79.3	-7.9	177.1	83.2	0.8	0	0	0	113.4	D57 D59 T63	D57-D61 PolarHBondContact OD1-N 3.29Å; D57-D61 VanDerWaalsContact OD1-N 3.16Å; D57-D61 PolarHBondContact OD2-N 3.4Å; D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 3.11Å; D59-D61 VanDerWaalsContact OD1-CB 3.3Å; D59-D61 WeakPolarHBondContact OD1-CB 3.4Å; D59-D61 VanDerWaalsContact OD1-CG 3.24Å; D59-D61 PolarHBondContact OD1-N 3.31Å; D59-D61 VanDerWaalsContact OD1-N 3.09Å; D61-T63 VanDerWaalsContact C-N 3.32Å; D61-T63 VanDerWaalsContact CG-OG1 3.23Å; D61-T63 WeakPolarHBondContact OD1-CA 3.5Å; D61-T63 WeakPolarHBondContact OD1-CB 3.37Å; D61-T63 PolarHBondContact OD1-N 3.03Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 PolarHBondContact OD2-OG1 2.94Å; D61-T63 VanDerWaalsContact OD2-OG1 3.12Å
62	G	82.4	Confident	83.3	Confident	36 Å²	36	53.3 Å²	53.3	37%	0.371	31%	0.305	S	S	.	.	S	Bend	trans	83.5	7.1	178.5	0	0	0	0	0	114.1	D57	D57-G62 WeakPolarHBondContact OD2-CA 3.32Å; D57-G62 PolarHBondContact OD2-N 3.03Å
63	T	86.4	Confident	83	Confident	27 Å²	27	52.9 Å²	52.9	17%	0.166	30%	0.302	C	S	.	.	S	Bend	trans	-126.9	174.5	176.5	70.7	0	0	0	0	110.3	H27 I28 D61	H27-T63 HydrophobicContact CB-CG2 4.42Å; I28-T63 WeakPolarHBondContact O-CA 3.35Å; D61-T63 VanDerWaalsContact C-N 3.32Å; D61-T63 VanDerWaalsContact CG-OG1 3.23Å; D61-T63 WeakPolarHBondContact OD1-CA 3.5Å; D61-T63 WeakPolarHBondContact OD1-CB 3.37Å; D61-T63 PolarHBondContact OD1-N 3.03Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 PolarHBondContact OD2-OG1 2.94Å; D61-T63 VanDerWaalsContact OD2-OG1 3.12Å
64	I	87.5	Confident	82.5	Confident	11 Å²	11	53.1 Å²	53.1	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	110.5	173.3	-60.2	169.4	0	0	0	108	H27 I28 L33 I53 V56 E68 F69	H27-I64 CarbonylContact C-O 3.59Å; H27-I64 WeakPolarHBondContact CA-O 3.37Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 2.96Å; I28-I64 PolarHBondContact O-N 2.68Å; L33-I64 HydrophobicContact CD2-CD1 4.49Å; I53-I64 HydrophobicContact CB-CD1 4.49Å; I53-I64 HydrophobicContact CB-CG1 4.47Å; I53-I64 HydrophobicContact CG1-CD1 3.69Å; I53-I64 HydrophobicContact CG1-CG1 3.97Å; I53-I64 HydrophobicContact CG2-CG1 4.28Å; V56-I64 HydrophobicContact CG1-CD1 4.38Å; V56-I64 HydrophobicContact CG1-CG1 4.26Å; V56-I64 HydrophobicContact CG1-CG2 3.93Å; I64-E68 HydrophobicContact CG2-CB 4.04Å; I64-F69 HydrophobicContact CG2-CB 3.84Å
65	S	88.6	Confident	81.8	Confident	22 Å²	22	55.7 Å²	55.7	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	161.3	170.4	66.3	0	0	0	0	111.5	D67 E68 F69	S65-D67 PolarHBondContact O-N 3.39Å; S65-E68 WeakPolarHBondContact CB-OE2 3.43Å; S65-E68 PolarHBondContact N-OE2 2.77Å; S65-E68 PolarHBondContact O-N 2.74Å; S65-E68 VanDerWaalsContact O-N 3.15Å; S65-E68 VanDerWaalsContact OG-CD 3.28Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.5Å; S65-E68 PolarHBondContact OG-N 3.41Å; S65-E68 PolarHBondContact OG-OE2 2.86Å; S65-F69 PolarHBondContact O-N 3.47Å
66	F	84.6	Confident	80.9	Confident	53 Å²	53	54.2 Å²	54.2	23%	0.232	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-35.3	178.2	-176.1	-117.9	0	0	0	113.3	V10 H14 F17 F69 L70	V10-F66 HydrophobicContact CG1-CE1 4.29Å; V10-F66 HydrophobicContact CG1-CZ 4.16Å; H14-F66 HydrophobicContact CB-CE2 4.03Å; H14-F66 HydrophobicContact CB-CZ 3.82Å; H14-F66 AromaticContact CD2-CZ 3.86Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 3.99Å; F17-F66 HydrophobicContact CD1-CD2 4.09Å; F17-F66 HydrophobicContact CD2-CB 4.46Å; F17-F66 AromaticContact CD2-CD2 3.75Å; F17-F66 HydrophobicContact CD2-CD2 3.75Å; F17-F66 HydrophobicContact CE1-CB 4.35Å; F17-F66 HydrophobicContact CE2-CB 4.18Å; F17-F66 HydrophobicContact CE2-CD2 4.31Å; F17-F66 AromaticContact CG-CD2 3.62Å; F17-F66 HydrophobicContact CG-CD2 3.62Å; F17-F66 HydrophobicContact CG-CE2 4.29Å; F17-F66 HydrophobicContact CZ-CB 4.13Å; F66-F69 PolarHBondContact O-N 2.99Å; F66-L70 HydrophobicContact CD1-CD1 4.01Å; F66-L70 HydrophobicContact CE1-CD1 3.58Å; F66-L70 HydrophobicContact CE1-CG 4.24Å; F66-L70 HydrophobicContact CE2-CD1 4.49Å; F66-L70 HydrophobicContact CE2-CD2 4.5Å; F66-L70 HydrophobicContact CE2-CG 4.28Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 4.23Å; F66-L70 HydrophobicContact CZ-CG 4.08Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.3Å
67	D	84.4	Confident	80.2	Confident	79 Å²	79	56.8 Å²	56.8	42%	0.422	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-41.4	178	-156.2	-102	0	0	0	110.8	H3 S65 L70 A71	H3-D67 VanDerWaalsContact CE1-CG 3.5Å; H3-D67 IonicContact CE1-OD1 2.68Å; H3-D67 PolarHBondContact CE1-OD1 2.85Å; H3-D67 IonicContact CE1-OD2 2.87Å; H3-D67 PolarHBondContact CE1-OD2 3.13Å; H3-D67 VanDerWaalsContact CE1-OD2 3.28Å; H3-D67 IonicContact ND1-OD2 2.66Å; H3-D67 PolarHBondContact NE2-O 2.8Å; H3-D67 IonicContact NE2-OD1 3.65Å; S65-D67 PolarHBondContact O-N 3.39Å; D67-L70 PolarHBondContact O-N 3.37Å; D67-A71 PolarHBondContact O-N 3.34Å
68	E	86.1	Confident	79	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-68.7	-36.9	175.5	-67.8	168.4	132.4	0	0	112.4	V56 D57 T58 D59 I64 S65 L70 A71 A72	V56-E68 HydrophobicContact CG1-CB 3.92Å; V56-E68 VanDerWaalsContact CG1-O 3.31Å; V56-E68 WeakPolarHBondContact CG1-O 3.46Å; D57-E68 WeakPolarHBondContact CA-OE1 3.46Å; T58-E68 PolarHBondContact N-OE1 2.97Å; D59-E68 PolarHBondContact N-OE1 2.87Å; I64-E68 HydrophobicContact CG2-CB 4.04Å; S65-E68 WeakPolarHBondContact CB-OE2 3.43Å; S65-E68 PolarHBondContact N-OE2 2.77Å; S65-E68 PolarHBondContact O-N 2.74Å; S65-E68 VanDerWaalsContact O-N 3.15Å; S65-E68 VanDerWaalsContact OG-CD 3.28Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.5Å; S65-E68 PolarHBondContact OG-N 3.41Å; S65-E68 PolarHBondContact OG-OE2 2.86Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.44Å; E68-A71 PolarHBondContact O-N 2.84Å; E68-A72 WeakPolarHBondContact O-CB 3.36Å; E68-A72 PolarHBondContact O-N 3.48Å
69	F	83.1	Confident	77.9	Confident	18 Å²	18	60.4 Å²	60.4	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-44.5	172	-178.6	-100.5	0	0	0	111.4	F13 F17 F20 I28 I64 S65 F66 A72 M73	F13-F69 HydrophobicContact CB-CE1 4.21Å; F13-F69 HydrophobicContact CD1-CE1 4.42Å; F17-F69 HydrophobicContact CB-CD1 4.38Å; F17-F69 HydrophobicContact CB-CE1 4.35Å; F17-F69 HydrophobicContact CD2-CB 3.77Å; F17-F69 AromaticContact CD2-CD1 3.88Å; F17-F69 HydrophobicContact CD2-CD1 3.88Å; F17-F69 HydrophobicContact CD2-CD2 4.16Å; F17-F69 HydrophobicContact CD2-CE1 4.49Å; F17-F69 AromaticContact CD2-CG 3.68Å; F17-F69 HydrophobicContact CD2-CG 3.68Å; F17-F69 HydrophobicContact CE2-CB 3.89Å; F17-F69 HydrophobicContact CE2-CG 4.27Å; F20-F69 HydrophobicContact CE2-CE2 4.48Å; F20-F69 HydrophobicContact CE2-CZ 4.32Å; I28-F69 HydrophobicContact CD1-CD2 4.04Å; I28-F69 HydrophobicContact CD1-CE2 4.36Å; I64-F69 HydrophobicContact CG2-CB 3.84Å; S65-F69 PolarHBondContact O-N 3.47Å; F66-F69 PolarHBondContact O-N 2.99Å; F69-A72 PolarHBondContact O-N 3.01Å; F69-M73 HydrophobicContact CD1-CG 4.27Å; F69-M73 HydrophobicContact CE1-CE 4.06Å; F69-M73 HydrophobicContact CE1-CG 3.96Å; F69-M73 HydrophobicContact CE2-CE 3.76Å; F69-M73 HydrophobicContact CZ-CE 3.34Å; F69-M73 HydrophobicContact CZ-CG 4.1Å; F69-M73 WeakPolarHBondContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CG 3.32Å; F69-M73 PolarHBondContact O-N 2.92Å
70	L	82.4	Confident	76.7	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.047	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-41.3	173.9	-73.3	173	0	0	0	111.5	H3 F5 F13 F66 D67 E68 A72 M73 A74	H3-L70 HydrophobicContact CB-CB 4.45Å; F5-L70 HydrophobicContact CD2-CD2 4.11Å; F5-L70 HydrophobicContact CE2-CB 4.48Å; F5-L70 HydrophobicContact CE2-CD2 4.22Å; F5-L70 WeakPolarHBondContact CE2-O 3.26Å; F13-L70 HydrophobicContact CB-CD2 3.78Å; F13-L70 HydrophobicContact CD2-CD2 3.74Å; F13-L70 HydrophobicContact CG-CD2 4.04Å; F66-L70 HydrophobicContact CD1-CD1 4.01Å; F66-L70 HydrophobicContact CE1-CD1 3.58Å; F66-L70 HydrophobicContact CE1-CG 4.24Å; F66-L70 HydrophobicContact CE2-CD1 4.49Å; F66-L70 HydrophobicContact CE2-CD2 4.5Å; F66-L70 HydrophobicContact CE2-CG 4.28Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 4.23Å; F66-L70 HydrophobicContact CZ-CG 4.08Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.3Å; D67-L70 PolarHBondContact O-N 3.37Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.44Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.41Å; L70-M73 PolarHBondContact O-N 3.18Å; L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.31Å; L70-A74 PolarHBondContact O-N 3.27Å
71	A	80.1	Confident	75.9	Confident	32 Å²	32	54.5 Å²	54.5	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-40.6	175.9	0	0	0	0	0	112.1	H3 D67 E68 A74 K75	H3-A71 PolarHBondContact CD2-N 3.39Å; D67-A71 PolarHBondContact O-N 3.34Å; E68-A71 PolarHBondContact O-N 2.84Å; A71-A74 PolarHBondContact O-N 3.34Å; A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.93Å
72	A	77.5	Confident	75	Confident	25 Å²	25	55.6 Å²	55.6	21%	0.207	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-46.8	174.6	0	0	0	0	0	111.9	V56 E68 F69 L70 A74 K75 Y76	V56-A72 HydrophobicContact CB-CB 4.2Å; V56-A72 HydrophobicContact CG1-CB 3.6Å; V56-A72 HydrophobicContact CG2-CB 3.53Å; E68-A72 WeakPolarHBondContact O-CB 3.36Å; E68-A72 PolarHBondContact O-N 3.48Å; F69-A72 PolarHBondContact O-N 3.01Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.41Å; A72-A74 VanDerWaalsContact C-N 3.26Å; A72-A74 PolarHBondContact O-N 3.22Å; A72-K75 PolarHBondContact O-N 2.92Å; A72-Y76 WeakPolarHBondContact O-CB 3.19Å; A72-Y76 PolarHBondContact O-N 3.38Å
73	M	74.4	Confident	74.3	Confident	56 Å²	56	60.6 Å²	60.6	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-34.7	175.2	-75.8	-63.7	-174.8	0	0	111.5	F5 F13 F69 L70 Y76 K77	F5-M73 HydrophobicContact CZ-CB 4.32Å; F13-M73 HydrophobicContact CD1-CB 4.43Å; F13-M73 HydrophobicContact CD1-CG 4.05Å; F13-M73 HydrophobicContact CE1-CB 4.11Å; F13-M73 HydrophobicContact CE1-CG 3.98Å; F13-M73 HydrophobicContact CE1-SD 4.11Å; F13-M73 HydrophobicContact CZ-CB 4.24Å; F69-M73 HydrophobicContact CD1-CG 4.27Å; F69-M73 HydrophobicContact CE1-CE 4.06Å; F69-M73 HydrophobicContact CE1-CG 3.96Å; F69-M73 HydrophobicContact CE2-CE 3.76Å; F69-M73 HydrophobicContact CZ-CE 3.34Å; F69-M73 HydrophobicContact CZ-CG 4.1Å; F69-M73 WeakPolarHBondContact O-CB 3.29Å; F69-M73 WeakPolarHBondContact O-CG 3.32Å; F69-M73 PolarHBondContact O-N 2.92Å; L70-M73 PolarHBondContact O-N 3.18Å; M73-Y76 PolarHBondContact O-N 3.29Å; M73-K77 WeakPolarHBondContact O-CB 3.4Å; M73-K77 PolarHBondContact O-N 2.89Å
74	A	73.7	Confident	73.5	Confident	10 Å²	10	65.4 Å²	65.4	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-42.2	175.5	0	0	0	0	0	111.6	F5 L70 A71 A72 R78	F5-A74 HydrophobicContact CE2-CB 3.74Å; F5-A74 VanDerWaalsContact CZ-CA 3.45Å; F5-A74 HydrophobicContact CZ-CB 3.63Å; L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.31Å; L70-A74 PolarHBondContact O-N 3.27Å; A71-A74 PolarHBondContact O-N 3.34Å; A72-A74 VanDerWaalsContact C-N 3.26Å; A72-A74 PolarHBondContact O-N 3.22Å; A74-R78 WeakPolarHBondContact O-CB 3.26Å; A74-R78 VanDerWaalsContact O-CG 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.1Å; A74-R78 PolarHBondContact O-N 3.22Å
75	K	68.1	Low	72.8	Confident	144 Å²	144	65.4 Å²	65.4	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-65	-44.3	173	-76.8	179.9	-178.9	171.9	0	111.6	A71 A72 R78 G79	A71-K75 WeakPolarHBondContact O-CG 3.46Å; A71-K75 PolarHBondContact O-N 2.93Å; A72-K75 PolarHBondContact O-N 2.92Å; K75-R78 PolarHBondContact O-N 3.3Å; K75-G79 PolarHBondContact O-N 2.77Å
76	Y	64.2	Low	72.2	Confident	167 Å²	167	72 Å²	72	66%	0.655	34%	0.341	S	S	*	.	H	α-helix	trans	-64.9	-43.3	178.9	-174.4	-93.9	0	0	0	111.5	A72 M73 G79 S80	A72-Y76 WeakPolarHBondContact O-CB 3.19Å; A72-Y76 PolarHBondContact O-N 3.38Å; M73-Y76 PolarHBondContact O-N 3.29Å; Y76-G79 PolarHBondContact O-N 2.86Å; Y76-S80 WeakPolarHBondContact CD1-OG 3.41Å; Y76-S80 WeakPolarHBondContact CE1-OG 3.18Å; Y76-S80 WeakPolarHBondContact O-CB 3.36Å; Y76-S80 PolarHBondContact O-N 3.09Å; Y76-S80 PolarHBondContact O-OG 3.39Å
77	K	64.3	Low	71.9	Confident	84 Å²	84	72.3 Å²	72.3	37%	0.365	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-47.4	174.5	-171.6	178.1	-179.8	-175.7	0	110.6	F5 M73 G79 S80 T81	F5-K77 HydrophobicContact CE1-CD 3.87Å; M73-K77 WeakPolarHBondContact O-CB 3.4Å; M73-K77 PolarHBondContact O-N 2.89Å; K77-G79 PolarHBondContact O-N 3.49Å; K77-S80 PolarHBondContact O-N 3.47Å; K77-T81 VanDerWaalsContact O-CB 3.25Å; K77-T81 WeakPolarHBondContact O-CB 3.41Å; K77-T81 PolarHBondContact O-N 3.23Å; K77-T81 PolarHBondContact O-OG1 3.5Å
78	R	60.4	Low	71.6	Confident	177 Å²	177	71.4 Å²	71.4	67%	0.668	35%	0.351	S	S	*	.	H	α-helix	trans	-59.2	-45.5	175.8	-75.4	176.1	-178.4	152.7	2.4	112.6	A74 K75 E82	A74-R78 WeakPolarHBondContact O-CB 3.26Å; A74-R78 VanDerWaalsContact O-CG 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.1Å; A74-R78 PolarHBondContact O-N 3.22Å; K75-R78 PolarHBondContact O-N 3.3Å; R78-E82 WeakPolarHBondContact O-CB 3.25Å; R78-E82 PolarHBondContact O-N 2.99Å
79	G	56.9	Low	71.4	Confident	32 Å²	32	71.4 Å²	71.4	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-70.2	-38.3	179.1	0	0	0	0	0	113.5	K75 Y76 K77 E82 Q83	K75-G79 PolarHBondContact O-N 2.77Å; Y76-G79 PolarHBondContact O-N 2.86Å; K77-G79 PolarHBondContact O-N 3.49Å; G79-E82 PolarHBondContact O-N 3.37Å; G79-Q83 WeakPolarHBondContact O-CG 3.44Å; G79-Q83 PolarHBondContact O-N 3.03Å
80	S	58.8	Low	71.3	Confident	21 Å²	21	74.4 Å²	74.4	15%	0.147	37%	0.374	C	S	.	.	H	α-helix	trans	-68.3	-43.6	175.1	-58.3	0	0	0	0	110.5	Y76 K77 E82 Q83 E84	Y76-S80 WeakPolarHBondContact CD1-OG 3.41Å; Y76-S80 WeakPolarHBondContact CE1-OG 3.18Å; Y76-S80 WeakPolarHBondContact O-CB 3.36Å; Y76-S80 PolarHBondContact O-N 3.09Å; Y76-S80 PolarHBondContact O-OG 3.39Å; K77-S80 PolarHBondContact O-N 3.47Å; S80-E82 VanDerWaalsContact C-N 3.29Å; S80-E82 PolarHBondContact O-N 2.79Å; S80-Q83 PolarHBondContact O-N 3.05Å; S80-E84 VanDerWaalsContact O-CB 3.31Å; S80-E84 WeakPolarHBondContact O-CB 3.44Å; S80-E84 VanDerWaalsContact O-CG 3.26Å; S80-E84 WeakPolarHBondContact O-CG 3.18Å; S80-E84 PolarHBondContact O-N 3.43Å
81	T	64.6	Low	71.3	Confident	52 Å²	52	77.1 Å²	77.1	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-60.1	-39.6	173.4	-59.6	0	0	0	0	111.1	K77 M85	K77-T81 VanDerWaalsContact O-CB 3.25Å; K77-T81 WeakPolarHBondContact O-CB 3.41Å; K77-T81 PolarHBondContact O-N 3.23Å; K77-T81 PolarHBondContact O-OG1 3.5Å; T81-M85 HydrophobicContact CG2-SD 4.23Å; T81-M85 VanDerWaalsContact O-CB 3.29Å; T81-M85 WeakPolarHBondContact O-CB 3.44Å; T81-M85 PolarHBondContact O-N 2.92Å
82	E	66.9	Low	71.4	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.463	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-43	175.4	-167.2	-178.5	114.3	0	0	112.5	R78 G79 S80 M85 R86 Y138	R78-E82 WeakPolarHBondContact O-CB 3.25Å; R78-E82 PolarHBondContact O-N 2.99Å; G79-E82 PolarHBondContact O-N 3.37Å; S80-E82 VanDerWaalsContact C-N 3.29Å; S80-E82 PolarHBondContact O-N 2.79Å; E82-M85 PolarHBondContact O-N 2.97Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.44Å; E82-Y138 WeakPolarHBondContact CG-OH 3.45Å
83	Q	67.4	Low	71.7	Confident	142 Å²	142	75.9 Å²	75.9	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-66.5	-40.6	176.2	-74.3	-175.8	-38.1	0	0	112.4	G79 S80 R86 A87	G79-Q83 WeakPolarHBondContact O-CG 3.44Å; G79-Q83 PolarHBondContact O-N 3.03Å; S80-Q83 PolarHBondContact O-N 3.05Å; Q83-R86 PolarHBondContact O-N 3.33Å; Q83-A87 WeakPolarHBondContact O-CB 3.27Å; Q83-A87 PolarHBondContact O-N 2.93Å
84	E	69.6	Low	71.9	Confident	128 Å²	128	77.1 Å²	77.1	60%	0.598	38%	0.381	S	S	*	.	H	α-helix	trans	-63.6	-45.3	173.1	-73.8	179.1	121.2	0	0	110.3	S80 R86 A87 V88	S80-E84 VanDerWaalsContact O-CB 3.31Å; S80-E84 WeakPolarHBondContact O-CB 3.44Å; S80-E84 VanDerWaalsContact O-CG 3.26Å; S80-E84 WeakPolarHBondContact O-CG 3.18Å; S80-E84 PolarHBondContact O-N 3.43Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.14Å; E84-A87 PolarHBondContact O-N 3.41Å; E84-V88 WeakPolarHBondContact O-CB 3.39Å; E84-V88 VanDerWaalsContact O-CG2 3.23Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 2.97Å
85	M	72.1	Confident	72.4	Confident	11 Å²	11	81.8 Å²	81.8	5%	0.054	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-40.5	176.3	-116.6	143.6	61.2	0	0	111.9	T81 E82 F89 Y138 A142 L145	T81-M85 HydrophobicContact CG2-SD 4.23Å; T81-M85 VanDerWaalsContact O-CB 3.29Å; T81-M85 WeakPolarHBondContact O-CB 3.44Å; T81-M85 PolarHBondContact O-N 2.92Å; E82-M85 PolarHBondContact O-N 2.97Å; M85-F89 WeakPolarHBondContact O-CB 3.26Å; M85-F89 PolarHBondContact O-N 2.68Å; M85-Y138 HydrophobicContact CB-CE2 4.44Å; M85-A142 VanDerWaalsContact CE-CA 3.47Å; M85-A142 HydrophobicContact CE-CB 3.23Å; M85-L145 HydrophobicContact CG-CD1 3.61Å; M85-L145 HydrophobicContact SD-CB 4.22Å; M85-L145 HydrophobicContact SD-CD1 4.31Å
86	R	76.1	Confident	73.1	Confident	159 Å²	159	77.7 Å²	77.7	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-66	-40.1	173.4	-89.3	-174.4	170.1	-153.9	-2.9	113	E82 Q83 E84 V88 F89 S90 Y138	E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 PolarHBondContact O-N 3.44Å; Q83-R86 PolarHBondContact O-N 3.33Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.14Å; R86-V88 VanDerWaalsContact C-N 3.33Å; R86-F89 PolarHBondContact O-N 3.35Å; R86-S90 VanDerWaalsContact O-CB 3.29Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.88Å; R86-Y138 HydrophobicContact CG-CD2 4.41Å; R86-Y138 HydrophobicContact CG-CE2 3.67Å
87	A	78.4	Confident	74.2	Confident	61 Å²	61	72.9 Å²	72.9	50%	0.504	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-44.3	177.9	0	0	0	0	0	110.4	Q83 E84 S90 V91	Q83-A87 WeakPolarHBondContact O-CB 3.27Å; Q83-A87 PolarHBondContact O-N 2.93Å; E84-A87 PolarHBondContact O-N 3.41Å; A87-S90 PolarHBondContact O-N 3.3Å; A87-V91 VanDerWaalsContact O-CG2 3.27Å; A87-V91 WeakPolarHBondContact O-CG2 3.42Å; A87-V91 PolarHBondContact O-N 3.41Å
88	V	78.4	Confident	75.1	Confident	59 Å²	59	70.3 Å²	70.3	36%	0.358	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-49.3	174.9	176.4	0	0	0	0	110.2	E84 R86 S90 V91 F92 F141	E84-V88 WeakPolarHBondContact O-CB 3.39Å; E84-V88 VanDerWaalsContact O-CG2 3.23Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 2.97Å; R86-V88 VanDerWaalsContact C-N 3.33Å; V88-S90 VanDerWaalsContact C-N 3.28Å; V88-S90 PolarHBondContact O-N 2.84Å; V88-V91 WeakPolarHBondContact O-CB 3.29Å; V88-V91 PolarHBondContact O-N 2.9Å; V88-F92 HydrophobicContact CG1-CD2 3.87Å; V88-F92 HydrophobicContact CG1-CE2 3.51Å; V88-F92 WeakPolarHBondContact O-CD2 3.28Å; V88-F92 PolarHBondContact O-N 2.81Å; V88-F141 HydrophobicContact CB-CE1 4.39Å; V88-F141 HydrophobicContact CG1-CE1 3.86Å; V88-F141 HydrophobicContact CG1-CZ 3.66Å
89	F	81.6	Confident	76.4	Confident	13 Å²	13	64.8 Å²	64.8	6%	0.057	37%	0.368	C	S	.	.	H	α-helix	trans	-54.8	-43.9	177.5	-171.8	-90.2	0	0	0	111.6	M85 R86 V91 F92 D93 G98 I100 Y138 F141	M85-F89 WeakPolarHBondContact O-CB 3.26Å; M85-F89 PolarHBondContact O-N 2.68Å; R86-F89 PolarHBondContact O-N 3.35Å; F89-V91 PolarHBondContact O-N 3.3Å; F89-F92 CarbonylContact O-C 3.09Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 PolarHBondContact O-N 3.38Å; F89-D93 HydrophobicContact CD1-CB 4Å; F89-D93 HydrophobicContact CE1-CB 3.72Å; F89-D93 WeakPolarHBondContact CE1-OD2 3.39Å; F89-D93 HydrophobicContact CZ-CB 4.4Å; F89-D93 WeakPolarHBondContact O-CB 3.27Å; F89-D93 PolarHBondContact O-N 3.37Å; F89-G98 VanDerWaalsContact CZ-O 3.29Å; F89-G98 WeakPolarHBondContact CZ-O 3.18Å; F89-I100 HydrophobicContact CD2-CD1 3.46Å; F89-I100 VanDerWaalsContact CD2-CD1 3.46Å; F89-I100 HydrophobicContact CD2-CG1 4.13Å; F89-I100 HydrophobicContact CE2-CD1 3.38Å; F89-I100 HydrophobicContact CE2-CG1 3.66Å; F89-I100 HydrophobicContact CG-CD1 4.25Å; F89-I100 HydrophobicContact CZ-CD1 4.1Å; F89-I100 HydrophobicContact CZ-CG1 3.87Å; F89-Y138 HydrophobicContact CB-CD2 4.34Å; F89-Y138 HydrophobicContact CD1-CD2 4.48Å; F89-Y138 HydrophobicContact CD2-CD2 4.17Å; F89-Y138 HydrophobicContact CG-CD2 4.07Å; F89-F141 HydrophobicContact CB-CD1 4.22Å; F89-F141 HydrophobicContact CB-CE1 4.3Å; F89-F141 HydrophobicContact CD2-CB 3.76Å; F89-F141 AromaticContact CD2-CD1 3.72Å; F89-F141 HydrophobicContact CD2-CD1 3.72Å; F89-F141 HydrophobicContact CD2-CD2 4.48Å; F89-F141 HydrophobicContact CD2-CE1 4.44Å; F89-F141 AromaticContact CD2-CG 3.74Å; F89-F141 HydrophobicContact CD2-CG 3.74Å; F89-F141 HydrophobicContact CE2-CB 3.93Å; F89-F141 HydrophobicContact CE2-CG 4.31Å; F89-F141 HydrophobicContact CG-CD1 4.48Å
90	S	81.2	Confident	77.9	Confident	82 Å²	82	63.4 Å²	63.4	57%	0.573	35%	0.353	S	S	*	.	H	α-helix	trans	-70.2	-15	177.7	-174.3	0	0	0	0	114.5	R86 A87 V88	R86-S90 VanDerWaalsContact O-CB 3.29Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.88Å; A87-S90 PolarHBondContact O-N 3.3Å; V88-S90 VanDerWaalsContact C-N 3.28Å; V88-S90 PolarHBondContact O-N 2.84Å
91	V	81.9	Confident	79.2	Confident	66 Å²	66	63.8 Å²	63.8	40%	0.4	35%	0.354	S	S	.	.	H	α-helix	trans	-78.1	-33.3	168.9	176.3	0	0	0	0	110.4	A87 V88 F89	A87-V91 VanDerWaalsContact O-CG2 3.27Å; A87-V91 WeakPolarHBondContact O-CG2 3.42Å; A87-V91 PolarHBondContact O-N 3.41Å; V88-V91 WeakPolarHBondContact O-CB 3.29Å; V88-V91 PolarHBondContact O-N 2.9Å; F89-V91 PolarHBondContact O-N 3.3Å
92	F	82	Confident	80.3	Confident	16 Å²	16	62.7 Å²	62.7	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-80.1	-51.1	177.8	-70	-74.9	0	0	0	112	V88 F89 Q94 I100 E104 L105 A108 M109 L112 F141	V88-F92 HydrophobicContact CG1-CD2 3.87Å; V88-F92 HydrophobicContact CG1-CE2 3.51Å; V88-F92 WeakPolarHBondContact O-CD2 3.28Å; V88-F92 PolarHBondContact O-N 2.81Å; F89-F92 CarbonylContact O-C 3.09Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 PolarHBondContact O-N 3.38Å; F92-Q94 PolarHBondContact O-N 2.85Å; F92-I100 HydrophobicContact CB-CD1 3.51Å; F92-I100 HydrophobicContact CB-CG1 3.82Å; F92-I100 HydrophobicContact CB-CG2 4.11Å; F92-I100 HydrophobicContact CG-CD1 4.31Å; F92-E104 WeakPolarHBondContact O-CB 3.38Å; F92-L105 HydrophobicContact CD1-CD1 3.57Å; F92-L105 HydrophobicContact CE1-CD1 3.73Å; F92-L105 HydrophobicContact CG-CD1 4.49Å; F92-A108 HydrophobicContact CB-CB 4.4Å; F92-A108 HydrophobicContact CD1-CB 3.27Å; F92-A108 HydrophobicContact CE1-CB 3.68Å; F92-A108 HydrophobicContact CG-CB 4.07Å; F92-M109 HydrophobicContact CE1-CE 3.81Å; F92-M109 HydrophobicContact CE1-CG 4.38Å; F92-M109 HydrophobicContact CE1-SD 4.19Å; F92-M109 HydrophobicContact CZ-CE 4.07Å; F92-L112 HydrophobicContact CE1-CD1 4.45Å; F92-L112 HydrophobicContact CZ-CD1 4.06Å; F92-F141 HydrophobicContact CD2-CE2 4.06Å; F92-F141 AromaticContact CD2-CZ 3.79Å; F92-F141 HydrophobicContact CD2-CZ 3.79Å; F92-F141 HydrophobicContact CE2-CE2 4.34Å; F92-F141 AromaticContact CE2-CZ 3.96Å; F92-F141 HydrophobicContact CE2-CZ 3.96Å
93	D	85	Confident	81.2	Confident	14 Å²	14	65.3 Å²	65.3	8%	0.075	36%	0.359	C	S	.	.			trans	-72.6	96	175.3	177.1	10	0	0	0	110	F89 G96 D97 G98 I100	F89-D93 HydrophobicContact CD1-CB 4Å; F89-D93 HydrophobicContact CE1-CB 3.72Å; F89-D93 WeakPolarHBondContact CE1-OD2 3.39Å; F89-D93 HydrophobicContact CZ-CB 4.4Å; F89-D93 WeakPolarHBondContact O-CB 3.27Å; F89-D93 PolarHBondContact O-N 3.37Å; D93-G96 WeakPolarHBondContact OD1-CA 3.49Å; D93-G96 PolarHBondContact OD1-N 2.75Å; D93-G96 WeakPolarHBondContact OD2-CA 3.48Å; D93-D97 PolarHBondContact OD1-N 2.95Å; D93-G98 WeakPolarHBondContact OD2-CA 3.41Å; D93-G98 PolarHBondContact OD2-N 3.02Å; D93-I100 HydrophobicContact CB-CG1 4.2Å
94	Q	79.3	Confident	82.2	Confident	83 Å²	83	59 Å²	59	39%	0.388	33%	0.33	S	S	.	.	S	Bend	trans	-85.6	-31	-172.9	-65.9	-158.2	-13.7	0	0	112.3	F92 E104	F92-Q94 PolarHBondContact O-N 2.85Å; Q94-E104 HydrophobicContact CB-CG 4.4Å; Q94-E104 PolarHBondContact N-OE1 3.47Å
95	D	84.3	Confident	82.9	Confident	107 Å²	107	53.5 Å²	53.5	57%	0.572	31%	0.305	S	S	*	.	S	Bend	trans	-88.1	-13.9	179.1	75.5	10.4	0	0	0	113.1	D97 E104	D95-D97 VanDerWaalsContact C-N 3.31Å; D95-D97 WeakPolarHBondContact OD1-CB 3.48Å; D95-D97 VanDerWaalsContact OD1-CG 3.3Å; D95-D97 PolarHBondContact OD1-N 2.81Å; D95-E104 PolarHBondContact N-OE1 3.34Å
96	G	82.4	Confident	83.5	Confident	59 Å²	59	58 Å²	58	61%	0.608	32%	0.324	S	S	*	.			trans	74.2	21.4	177.2	0	0	0	0	0	112.9	D93 G98	D93-G96 WeakPolarHBondContact OD1-CA 3.49Å; D93-G96 PolarHBondContact OD1-N 2.75Å; D93-G96 WeakPolarHBondContact OD2-CA 3.48Å; G96-G98 PolarHBondContact O-N 2.84Å
97	D	85.8	Confident	84	Confident	66 Å²	66	55.3 Å²	55.3	35%	0.353	32%	0.318	S	S	.	.	S	Bend	trans	-74.7	-6.3	179.3	88.7	0.8	0	0	0	112.9	D93 D95 H99 K135	D93-D97 PolarHBondContact OD1-N 2.95Å; D95-D97 VanDerWaalsContact C-N 3.31Å; D95-D97 WeakPolarHBondContact OD1-CB 3.48Å; D95-D97 VanDerWaalsContact OD1-CG 3.3Å; D95-D97 PolarHBondContact OD1-N 2.81Å; D97-H99 PolarHBondContact O-ND1 3.1Å; D97-H99 VanDerWaalsContact O-ND1 3.08Å; D97-H99 WeakPolarHBondContact OD1-CA 3.47Å; D97-H99 VanDerWaalsContact OD1-CB 3.27Å; D97-H99 WeakPolarHBondContact OD1-CB 3.39Å; D97-H99 IonicContact OD1-CG 3.28Å; D97-H99 PolarHBondContact OD1-N 2.66Å; D97-H99 IonicContact OD1-ND1 3.89Å; D97-H99 PolarHBondContact OD1-ND1 2.94Å; D97-H99 VanDerWaalsContact OD1-O 3.11Å; D97-K135 IonicContact OD2-NZ 2.85Å; D97-K135 PolarHBondContact OD2-NZ 2.85Å
98	G	84.3	Confident	84.2	Confident	30 Å²	30	52.4 Å²	52.4	31%	0.309	29%	0.294	S	S	.	.	S	Bend	trans	85.7	9.4	-179.9	0	0	0	0	0	114.2	F89 D93 G96	F89-G98 VanDerWaalsContact CZ-O 3.29Å; F89-G98 WeakPolarHBondContact CZ-O 3.18Å; D93-G98 WeakPolarHBondContact OD2-CA 3.41Å; D93-G98 PolarHBondContact OD2-N 3.02Å; G96-G98 PolarHBondContact O-N 2.84Å
99	H	87.8	Confident	84.3	Confident	61 Å²	61	50.5 Å²	50.5	28%	0.282	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.8	178.4	-47.9	72.1	0	0	0	109.5	D97 K135 V136	D97-H99 PolarHBondContact O-ND1 3.1Å; D97-H99 VanDerWaalsContact O-ND1 3.08Å; D97-H99 WeakPolarHBondContact OD1-CA 3.47Å; D97-H99 VanDerWaalsContact OD1-CB 3.27Å; D97-H99 WeakPolarHBondContact OD1-CB 3.39Å; D97-H99 IonicContact OD1-CG 3.28Å; D97-H99 PolarHBondContact OD1-N 2.66Å; D97-H99 IonicContact OD1-ND1 3.89Å; D97-H99 PolarHBondContact OD1-ND1 2.94Å; D97-H99 VanDerWaalsContact OD1-O 3.11Å; H99-K135 HydrophobicContact CB-CB 3.94Å; H99-K135 HydrophobicContact CB-CD 3.73Å; H99-V136 CarbonylContact C-O 3.46Å; H99-V136 WeakPolarHBondContact CA-O 3.39Å
100	I	87.4	Confident	84.4	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.8	175.7	-60.4	163.2	0	0	0	107.9	F89 F92 D93 E104 L105 V136 F141	F89-I100 HydrophobicContact CD2-CD1 3.46Å; F89-I100 VanDerWaalsContact CD2-CD1 3.46Å; F89-I100 HydrophobicContact CD2-CG1 4.13Å; F89-I100 HydrophobicContact CE2-CD1 3.38Å; F89-I100 HydrophobicContact CE2-CG1 3.66Å; F89-I100 HydrophobicContact CG-CD1 4.25Å; F89-I100 HydrophobicContact CZ-CD1 4.1Å; F89-I100 HydrophobicContact CZ-CG1 3.87Å; F92-I100 HydrophobicContact CB-CD1 3.51Å; F92-I100 HydrophobicContact CB-CG1 3.82Å; F92-I100 HydrophobicContact CB-CG2 4.11Å; F92-I100 HydrophobicContact CG-CD1 4.31Å; D93-I100 HydrophobicContact CB-CG1 4.2Å; I100-E104 HydrophobicContact CG2-CB 4.46Å; I100-L105 HydrophobicContact CG2-CB 3.92Å; I100-L105 HydrophobicContact CG2-CD1 4.49Å; I100-V136 HydrophobicContact CB-CB 4.37Å; I100-V136 PolarHBondContact N-O 3.11Å; I100-V136 PolarHBondContact O-N 2.94Å; I100-F141 HydrophobicContact CD1-CD2 3.66Å; I100-F141 HydrophobicContact CD1-CE2 4Å; I100-F141 HydrophobicContact CD1-CG 4.11Å
101	T	87.6	Confident	84.1	Confident	28 Å²	28	55.4 Å²	55.4	17%	0.172	31%	0.307	C	S	.	.			trans	-83.5	162.7	172	63	0	0	0	0	111.9	E103 E104 L105 K135	T101-E103 PolarHBondContact O-N 3.05Å; T101-E104 WeakPolarHBondContact CB-OE2 3.26Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.46Å; T101-E104 PolarHBondContact N-OE2 2.8Å; T101-E104 PolarHBondContact O-N 2.87Å; T101-E104 WeakPolarHBondContact OG1-CB 3.45Å; T101-E104 VanDerWaalsContact OG1-CG 3.25Å; T101-E104 WeakPolarHBondContact OG1-CG 3.49Å; T101-E104 PolarHBondContact OG1-N 3.32Å; T101-E104 PolarHBondContact OG1-OE2 2.86Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 PolarHBondContact O-N 3.33Å; T101-K135 HydrophobicContact CG2-CD 3.97Å; T101-K135 HydrophobicContact CG2-CG 4.09Å
102	V	86.3	Confident	83.7	Confident	29 Å²	29	57.4 Å²	57.4	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-53.7	-39.5	173.2	178.1	0	0	0	0	111.6	K106 Q118 L121 I125	V102-K106 WeakPolarHBondContact O-CB 3.42Å; V102-K106 PolarHBondContact O-N 3.4Å; V102-K106 VanDerWaalsContact O-N 3.09Å; V102-Q118 VanDerWaalsContact CG1-NE2 3.34Å; V102-L121 HydrophobicContact CG1-CB 4.24Å; V102-I125 HydrophobicContact CG2-CB 4.33Å; V102-I125 HydrophobicContact CG2-CG1 3.84Å; V102-I125 HydrophobicContact CG2-CG2 4.29Å
103	E	86.8	Confident	83.4	Confident	154 Å²	154	59.7 Å²	59.7	72%	0.72	34%	0.343	S	S	*	.	H	α-helix	trans	-68.2	-42.3	-179.5	-64.3	-167.6	98	0	0	111.7	T101 K106 Q107	T101-E103 PolarHBondContact O-N 3.05Å; E103-K106 WeakPolarHBondContact O-CB 3.29Å; E103-K106 PolarHBondContact O-N 2.88Å; E103-Q107 WeakPolarHBondContact O-CG 3.45Å; E103-Q107 PolarHBondContact O-N 3.33Å
104	E	87.8	Confident	82.9	Confident	11 Å²	11	64.8 Å²	64.8	5%	0.051	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-43.8	177.9	-75.5	173.6	122.7	0	0	112.5	F92 Q94 D95 I100 T101 K106 Q107 A108	F92-E104 WeakPolarHBondContact O-CB 3.38Å; Q94-E104 HydrophobicContact CB-CG 4.4Å; Q94-E104 PolarHBondContact N-OE1 3.47Å; D95-E104 PolarHBondContact N-OE1 3.34Å; I100-E104 HydrophobicContact CG2-CB 4.46Å; T101-E104 WeakPolarHBondContact CB-OE2 3.26Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.46Å; T101-E104 PolarHBondContact N-OE2 2.8Å; T101-E104 PolarHBondContact O-N 2.87Å; T101-E104 WeakPolarHBondContact OG1-CB 3.45Å; T101-E104 VanDerWaalsContact OG1-CG 3.25Å; T101-E104 WeakPolarHBondContact OG1-CG 3.49Å; T101-E104 PolarHBondContact OG1-N 3.32Å; T101-E104 PolarHBondContact OG1-OE2 2.86Å; E104-K106 VanDerWaalsContact C-N 3.26Å; E104-K106 PolarHBondContact O-N 3.19Å; E104-Q107 PolarHBondContact O-N 3.47Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; E104-A108 WeakPolarHBondContact O-CB 3.37Å; E104-A108 PolarHBondContact O-N 3.3Å
105	L	84.6	Confident	82.8	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-56.7	-44.3	173.9	-175.3	62.2	0	0	0	110.6	F92 I100 T101 A108 M109 L121 M124 I125	F92-L105 HydrophobicContact CD1-CD1 3.57Å; F92-L105 HydrophobicContact CE1-CD1 3.73Å; F92-L105 HydrophobicContact CG-CD1 4.49Å; I100-L105 HydrophobicContact CG2-CB 3.92Å; I100-L105 HydrophobicContact CG2-CD1 4.49Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 PolarHBondContact O-N 3.33Å; L105-A108 PolarHBondContact O-N 2.98Å; L105-M109 HydrophobicContact CD1-CE 3.94Å; L105-M109 HydrophobicContact CD1-CG 4.44Å; L105-M109 WeakPolarHBondContact O-CB 3.39Å; L105-M109 WeakPolarHBondContact O-CG 3.31Å; L105-M109 PolarHBondContact O-N 3.36Å; L105-L121 HydrophobicContact CB-CD2 4.15Å; L105-L121 HydrophobicContact CD2-CD2 3.64Å; L105-L121 HydrophobicContact CG-CD2 3.61Å; L105-M124 HydrophobicContact CD2-CB 4.41Å; L105-I125 HydrophobicContact CD2-CD1 3.86Å; L105-I125 HydrophobicContact CD2-CG1 4Å
106	K	85.6	Confident	82.5	Confident	104 Å²	104	64.2 Å²	64.2	45%	0.452	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-45.3	175.8	-174.9	176.4	-177.1	172.4	0	112.5	V102 E103 E104 A110 L121	V102-K106 WeakPolarHBondContact O-CB 3.42Å; V102-K106 PolarHBondContact O-N 3.4Å; V102-K106 VanDerWaalsContact O-N 3.09Å; E103-K106 WeakPolarHBondContact O-CB 3.29Å; E103-K106 PolarHBondContact O-N 2.88Å; E104-K106 VanDerWaalsContact C-N 3.26Å; E104-K106 PolarHBondContact O-N 3.19Å; K106-A110 WeakPolarHBondContact O-CB 3.11Å; K106-A110 PolarHBondContact O-N 3.27Å; K106-L121 HydrophobicContact CB-CD1 3.6Å; K106-L121 HydrophobicContact CB-CD2 4.48Å; K106-L121 HydrophobicContact CD-CD1 4Å; K106-L121 HydrophobicContact CG-CD1 3.75Å
107	Q	85.2	Confident	82.7	Confident	103 Å²	103	63.8 Å²	63.8	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-42.6	179.8	-76.4	-177.9	-52.5	0	0	111.7	E103 E104 A110 Q111	E103-Q107 WeakPolarHBondContact O-CG 3.45Å; E103-Q107 PolarHBondContact O-N 3.33Å; E104-Q107 PolarHBondContact O-N 3.47Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; Q107-A110 PolarHBondContact O-N 2.92Å; Q107-Q111 WeakPolarHBondContact O-CG 3.38Å; Q107-Q111 PolarHBondContact O-N 2.89Å
108	A	83.1	Confident	82.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-42.5	177.4	0	0	0	0	0	112.2	F92 E104 L105 A110 Q111 L112	F92-A108 HydrophobicContact CB-CB 4.4Å; F92-A108 HydrophobicContact CD1-CB 3.27Å; F92-A108 HydrophobicContact CE1-CB 3.68Å; F92-A108 HydrophobicContact CG-CB 4.07Å; E104-A108 WeakPolarHBondContact O-CB 3.37Å; E104-A108 PolarHBondContact O-N 3.3Å; L105-A108 PolarHBondContact O-N 2.98Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 2.93Å; A108-Q111 WeakPolarHBondContact O-CB 3.5Å; A108-Q111 PolarHBondContact O-N 3.23Å; A108-Q111 VanDerWaalsContact O-N 3.13Å; A108-L112 WeakPolarHBondContact O-CG 3.25Å; A108-L112 PolarHBondContact O-N 3.11Å
109	M	80.9	Confident	82.7	Confident	19 Å²	19	71.1 Å²	71.1	9%	0.094	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-41.8	174	-69.3	-66.3	-176.7	0	0	111.6	F92 L105 Q111 L112 G113 E114 I116 M124	F92-M109 HydrophobicContact CE1-CE 3.81Å; F92-M109 HydrophobicContact CE1-CG 4.38Å; F92-M109 HydrophobicContact CE1-SD 4.19Å; F92-M109 HydrophobicContact CZ-CE 4.07Å; L105-M109 HydrophobicContact CD1-CE 3.94Å; L105-M109 HydrophobicContact CD1-CG 4.44Å; L105-M109 WeakPolarHBondContact O-CB 3.39Å; L105-M109 WeakPolarHBondContact O-CG 3.31Å; L105-M109 PolarHBondContact O-N 3.36Å; M109-Q111 VanDerWaalsContact C-N 3.3Å; M109-Q111 PolarHBondContact O-N 2.99Å; M109-L112 CarbonylContact O-C 3.57Å; M109-L112 PolarHBondContact O-N 3.38Å; M109-L112 VanDerWaalsContact O-N 3.12Å; M109-L112 HydrophobicContact SD-CD1 4.45Å; M109-G113 PolarHBondContact O-N 3.38Å; M109-G113 VanDerWaalsContact O-N 3.17Å; M109-E114 CarbonylContact C-O 3.57Å; M109-E114 PolarHBondContact O-N 3.29Å; M109-I116 HydrophobicContact CB-CD1 4.28Å; M109-I116 HydrophobicContact CB-CG1 4.27Å; M109-I116 HydrophobicContact CE-CD1 3.87Å; M109-I116 HydrophobicContact CG-CD1 3.69Å; M109-I116 HydrophobicContact CG-CG1 4.22Å; M109-I116 HydrophobicContact SD-CD1 3.66Å; M109-M124 HydrophobicContact CE-CE 4.21Å
110	A	82.4	Confident	82.4	Confident	64 Å²	64	73.5 Å²	73.5	53%	0.529	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-35.3	174.5	0	0	0	0	0	112.7	K106 Q107 A108 G113 E114	K106-A110 WeakPolarHBondContact O-CB 3.11Å; K106-A110 PolarHBondContact O-N 3.27Å; Q107-A110 PolarHBondContact O-N 2.92Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 2.93Å; A110-G113 PolarHBondContact O-N 3.34Å; A110-E114 PolarHBondContact N-O 2.81Å
111	Q	76	Confident	82.2	Confident	134 Å²	134	73.3 Å²	73.3	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-69	-32.7	173.6	-73.4	-179.5	22.8	0	0	112.9	Q107 A108 M109 G113	Q107-Q111 WeakPolarHBondContact O-CG 3.38Å; Q107-Q111 PolarHBondContact O-N 2.89Å; A108-Q111 WeakPolarHBondContact O-CB 3.5Å; A108-Q111 PolarHBondContact O-N 3.23Å; A108-Q111 VanDerWaalsContact O-N 3.13Å; M109-Q111 VanDerWaalsContact C-N 3.3Å; M109-Q111 PolarHBondContact O-N 2.99Å; Q111-G113 PolarHBondContact O-N 3.46Å
112	L	73.1	Confident	82	Confident	108 Å²	108	75.9 Å²	75.9	57%	0.565	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.7	172.2	-67.6	170.4	0	0	0	112.9	F92 A108 M109 E114	F92-L112 HydrophobicContact CE1-CD1 4.45Å; F92-L112 HydrophobicContact CZ-CD1 4.06Å; A108-L112 WeakPolarHBondContact O-CG 3.25Å; A108-L112 PolarHBondContact O-N 3.11Å; M109-L112 CarbonylContact O-C 3.57Å; M109-L112 PolarHBondContact O-N 3.38Å; M109-L112 VanDerWaalsContact O-N 3.12Å; M109-L112 HydrophobicContact SD-CD1 4.45Å; L112-E114 VanDerWaalsContact C-N 3.29Å
113	G	76.3	Confident	82	Confident	65 Å²	65	77.3 Å²	77.3	67%	0.67	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	9.8	-179	0	0	0	0	0	113.7	M109 A110 Q111	M109-G113 PolarHBondContact O-N 3.38Å; M109-G113 VanDerWaalsContact O-N 3.17Å; A110-G113 PolarHBondContact O-N 3.34Å; Q111-G113 PolarHBondContact O-N 3.46Å
114	E	75.3	Confident	81.8	Confident	120 Å²	120	72.7 Å²	72.7	56%	0.561	40%	0.4	S	S	*	.			trans	-97.6	126.4	173.6	-72.4	-164.4	135	0	0	110.5	M109 A110 L112	M109-E114 CarbonylContact C-O 3.57Å; M109-E114 PolarHBondContact O-N 3.29Å; A110-E114 PolarHBondContact N-O 2.81Å; L112-E114 VanDerWaalsContact C-N 3.29Å
115	T	75.1	Confident	81.6	Confident	140 Å²	140	72.7 Å²	72.7	86%	0.859	40%	0.4	S	S	*	.			trans	-98.5	100.9	173.8	53	0	0	0	0	109
116	I	79.5	Confident	81.6	Confident	39 Å²	39	76.4 Å²	76.4	20%	0.2	43%	0.427	C	S	.	.			trans	-92.2	138.5	173.9	-55.3	-168.4	0	0	0	109	M109 E120 L121 M124	M109-I116 HydrophobicContact CB-CD1 4.28Å; M109-I116 HydrophobicContact CB-CG1 4.27Å; M109-I116 HydrophobicContact CE-CD1 3.87Å; M109-I116 HydrophobicContact CG-CD1 3.69Å; M109-I116 HydrophobicContact CG-CG1 4.22Å; M109-I116 HydrophobicContact SD-CD1 3.66Å; I116-E120 HydrophobicContact CG2-CB 3.38Å; I116-E120 HydrophobicContact CG2-CG 4.42Å; I116-L121 HydrophobicContact CB-CD2 4.31Å; I116-L121 HydrophobicContact CB-CG 4.23Å; I116-L121 HydrophobicContact CG2-CD2 4.16Å; I116-L121 HydrophobicContact CG2-CG 3.86Å; I116-M124 HydrophobicContact CD1-SD 4.07Å
117	S	85.9	Confident	81.5	Confident	49 Å²	49	78.8 Å²	78.8	34%	0.343	44%	0.439	S	S	.	.			trans	-71.5	158.7	177.1	66.3	0	0	0	0	111.7	E119 E120 L121	S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 2.76Å; S117-E120 WeakPolarHBondContact CB-OE2 3.27Å; S117-E120 PolarHBondContact N-OE2 2.89Å; S117-E120 VanDerWaalsContact N-OE2 3.14Å; S117-E120 PolarHBondContact O-N 2.86Å; S117-E120 WeakPolarHBondContact OG-CB 3.43Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.48Å; S117-E120 PolarHBondContact OG-N 3.21Å; S117-E120 PolarHBondContact OG-OE2 3.47Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.46Å
118	Q	83.1	Confident	81.5	Confident	87 Å²	87	74.3 Å²	74.3	41%	0.407	42%	0.42	S	S	.	.	H	α-helix	trans	-59	-41.9	178	-172	62.6	48.3	0	0	111.3	V102 E120 L121 D122	V102-Q118 VanDerWaalsContact CG1-NE2 3.34Å; Q118-E120 VanDerWaalsContact C-N 3.31Å; Q118-E120 PolarHBondContact O-N 3.49Å; Q118-L121 PolarHBondContact O-N 3.15Å; Q118-D122 WeakPolarHBondContact CG-OD2 3.5Å; Q118-D122 PolarHBondContact NE2-OD2 2.99Å; Q118-D122 WeakPolarHBondContact O-CB 2.99Å; Q118-D122 PolarHBondContact O-N 3.24Å
119	E	86.1	Confident	81.6	Confident	164 Å²	164	75.1 Å²	75.1	77%	0.766	43%	0.425	S	S	*	.	H	α-helix	trans	-62.5	-37.4	179.4	-63.2	172.7	113.5	0	0	112.3	S117 A123	S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 2.76Å; E119-A123 WeakPolarHBondContact O-CB 3.33Å; E119-A123 PolarHBondContact O-N 3.3Å
120	E	83.1	Confident	81.8	Confident	110 Å²	110	78 Å²	78	51%	0.514	44%	0.443	S	S	.	.	H	α-helix	trans	-71.9	-39.2	175.3	-74.8	170.9	120.4	0	0	112.2	I116 S117 Q118 A123 M124	I116-E120 HydrophobicContact CG2-CB 3.38Å; I116-E120 HydrophobicContact CG2-CG 4.42Å; S117-E120 WeakPolarHBondContact CB-OE2 3.27Å; S117-E120 PolarHBondContact N-OE2 2.89Å; S117-E120 VanDerWaalsContact N-OE2 3.14Å; S117-E120 PolarHBondContact O-N 2.86Å; S117-E120 WeakPolarHBondContact OG-CB 3.43Å; S117-E120 VanDerWaalsContact OG-CG 3.28Å; S117-E120 WeakPolarHBondContact OG-CG 3.48Å; S117-E120 PolarHBondContact OG-N 3.21Å; S117-E120 PolarHBondContact OG-OE2 3.47Å; Q118-E120 VanDerWaalsContact C-N 3.31Å; Q118-E120 PolarHBondContact O-N 3.49Å; E120-A123 PolarHBondContact O-N 3.26Å; E120-M124 WeakPolarHBondContact O-CB 3.41Å; E120-M124 VanDerWaalsContact O-CG 3.26Å; E120-M124 WeakPolarHBondContact O-CG 3.45Å; E120-M124 PolarHBondContact O-N 3.16Å
121	L	83.1	Confident	82	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-62.6	-46.2	174.9	-72.2	163.6	0	0	0	111.4	V102 L105 K106 I116 S117 Q118 A123 M124 I125	V102-L121 HydrophobicContact CG1-CB 4.24Å; L105-L121 HydrophobicContact CB-CD2 4.15Å; L105-L121 HydrophobicContact CD2-CD2 3.64Å; L105-L121 HydrophobicContact CG-CD2 3.61Å; K106-L121 HydrophobicContact CB-CD1 3.6Å; K106-L121 HydrophobicContact CB-CD2 4.48Å; K106-L121 HydrophobicContact CD-CD1 4Å; K106-L121 HydrophobicContact CG-CD1 3.75Å; I116-L121 HydrophobicContact CB-CD2 4.31Å; I116-L121 HydrophobicContact CB-CG 4.23Å; I116-L121 HydrophobicContact CG2-CD2 4.16Å; I116-L121 HydrophobicContact CG2-CG 3.86Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.46Å; Q118-L121 PolarHBondContact O-N 3.15Å; L121-A123 VanDerWaalsContact C-N 3.29Å; L121-A123 PolarHBondContact O-N 2.76Å; L121-M124 PolarHBondContact O-N 2.71Å; L121-I125 WeakPolarHBondContact O-CB 3.27Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 2.96Å; L121-I125 PolarHBondContact O-N 2.69Å
122	D	83.9	Confident	82.4	Confident	81 Å²	81	81.5 Å²	81.5	43%	0.433	45%	0.449	S	S	.	.	H	α-helix	trans	-60.8	-38.7	175.3	-82.9	-80.6	0	0	0	111.4	Q118 S126	Q118-D122 WeakPolarHBondContact CG-OD2 3.5Å; Q118-D122 PolarHBondContact NE2-OD2 2.99Å; Q118-D122 WeakPolarHBondContact O-CB 2.99Å; Q118-D122 PolarHBondContact O-N 3.24Å; D122-S126 WeakPolarHBondContact O-CB 3.33Å; D122-S126 PolarHBondContact O-N 3.48Å
123	A	84.8	Confident	83	Confident	60 Å²	60	80.2 Å²	80.2	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-67	-43.5	174.5	0	0	0	0	0	112.5	E119 E120 L121 S126 E127	E119-A123 WeakPolarHBondContact O-CB 3.33Å; E119-A123 PolarHBondContact O-N 3.3Å; E120-A123 PolarHBondContact O-N 3.26Å; L121-A123 VanDerWaalsContact C-N 3.29Å; L121-A123 PolarHBondContact O-N 2.76Å; A123-S126 PolarHBondContact O-N 3.43Å; A123-E127 VanDerWaalsContact O-CB 3.32Å; A123-E127 WeakPolarHBondContact O-CB 3.34Å; A123-E127 PolarHBondContact O-N 3.28Å
124	M	82.2	Confident	83.4	Confident	57 Å²	57	79 Å²	79	28%	0.281	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-45.2	178.3	-73.5	-179.8	79.5	0	0	111.7	L105 M109 I116 E120 L121 E127 A128 M144	L105-M124 HydrophobicContact CD2-CB 4.41Å; M109-M124 HydrophobicContact CE-CE 4.21Å; I116-M124 HydrophobicContact CD1-SD 4.07Å; E120-M124 WeakPolarHBondContact O-CB 3.41Å; E120-M124 VanDerWaalsContact O-CG 3.26Å; E120-M124 WeakPolarHBondContact O-CG 3.45Å; E120-M124 PolarHBondContact O-N 3.16Å; L121-M124 PolarHBondContact O-N 2.71Å; M124-E127 PolarHBondContact O-N 3.41Å; M124-A128 WeakPolarHBondContact O-CB 3.38Å; M124-A128 PolarHBondContact O-N 3.02Å; M124-M144 HydrophobicContact CB-CE 4.43Å; M124-M144 HydrophobicContact CE-CE 4.02Å
125	I	83.8	Confident	83.9	Confident	10 Å²	10	76.4 Å²	76.4	5%	0.051	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-49.7	176.5	-66	-75.4	0	0	0	109.2	V102 L105 L121 E127 A128 D129 V136	V102-I125 HydrophobicContact CG2-CB 4.33Å; V102-I125 HydrophobicContact CG2-CG1 3.84Å; V102-I125 HydrophobicContact CG2-CG2 4.29Å; L105-I125 HydrophobicContact CD2-CD1 3.86Å; L105-I125 HydrophobicContact CD2-CG1 4Å; L121-I125 WeakPolarHBondContact O-CB 3.27Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 2.96Å; L121-I125 PolarHBondContact O-N 2.69Å; I125-E127 PolarHBondContact O-N 3.41Å; I125-E127 VanDerWaalsContact O-N 3.13Å; I125-A128 PolarHBondContact O-N 3.43Å; I125-A128 VanDerWaalsContact O-N 3.1Å; I125-D129 HydrophobicContact CG2-CB 4.33Å; I125-D129 WeakPolarHBondContact O-CB 3.32Å; I125-D129 PolarHBondContact O-N 2.9Å; I125-V136 HydrophobicContact CD1-CB 4.45Å; I125-V136 HydrophobicContact CD1-CG2 3.55Å; I125-V136 HydrophobicContact CG2-CG2 4.29Å
126	S	85.3	Confident	84.5	Confident	91 Å²	91	70 Å²	70	64%	0.636	38%	0.377	S	S	*	.	H	α-helix	trans	-63.5	-22	-179.9	-177.3	0	0	0	0	114.2	D122 A123	D122-S126 WeakPolarHBondContact O-CB 3.33Å; D122-S126 PolarHBondContact O-N 3.48Å; A123-S126 PolarHBondContact O-N 3.43Å
127	E	84.1	Confident	85	Confident	153 Å²	153	69.4 Å²	69.4	72%	0.715	38%	0.375	S	S	*	.	H	α-helix	trans	-83.2	-35.8	175.2	-171.9	171.2	92.7	0	0	111.9	A123 M124 I125	A123-E127 VanDerWaalsContact O-CB 3.32Å; A123-E127 WeakPolarHBondContact O-CB 3.34Å; A123-E127 PolarHBondContact O-N 3.28Å; M124-E127 PolarHBondContact O-N 3.41Å; I125-E127 PolarHBondContact O-N 3.41Å; I125-E127 VanDerWaalsContact O-N 3.13Å
128	A	83.8	Confident	84.9	Confident	9 Å²	9	70 Å²	70	7%	0.074	37%	0.37	C	S	.	.	H	α-helix	trans	-82.9	-35.2	179.3	0	0	0	0	0	113.3	M124 I125 V130 V136 E140 M144	M124-A128 WeakPolarHBondContact O-CB 3.38Å; M124-A128 PolarHBondContact O-N 3.02Å; I125-A128 PolarHBondContact O-N 3.43Å; I125-A128 VanDerWaalsContact O-N 3.1Å; A128-V130 WeakPolarHBondContact O-CG2 3.06Å; A128-V130 PolarHBondContact O-N 3.2Å; A128-V136 HydrophobicContact CB-CG1 4.1Å; A128-V136 HydrophobicContact CB-CG2 3.78Å; A128-E140 WeakPolarHBondContact O-CB 3.44Å; A128-E140 WeakPolarHBondContact O-CG 3.4Å; A128-M144 HydrophobicContact CB-SD 4.23Å
129	D	86.3	Confident	85	Confident	18 Å²	18	73.3 Å²	73.3	10%	0.096	39%	0.385	C	S	.	.			trans	-73.7	97.4	-178.7	179.4	7.1	0	0	0	110.6	I125 K132 D133 G134	I125-D129 HydrophobicContact CG2-CB 4.33Å; I125-D129 WeakPolarHBondContact O-CB 3.32Å; I125-D129 PolarHBondContact O-N 2.9Å; D129-K132 VanDerWaalsContact CG-CA 3.49Å; D129-K132 WeakPolarHBondContact OD1-CA 3.45Å; D129-K132 PolarHBondContact OD1-N 3.02Å; D129-K132 VanDerWaalsContact OD2-CA 3.27Å; D129-K132 WeakPolarHBondContact OD2-CA 3.35Å; D129-D133 PolarHBondContact OD1-N 2.88Å; D129-D133 PolarHBondContact OD2-N 2.87Å; D129-G134 VanDerWaalsContact OD2-CA 3.31Å; D129-G134 WeakPolarHBondContact OD2-CA 3.27Å; D129-G134 PolarHBondContact OD2-N 2.85Å
130	V	84.9	Confident	85	Confident	80 Å²	80	66 Å²	66	49%	0.485	35%	0.351	S	S	.	.	S	Bend	trans	-84.9	-37.9	-176.6	179.5	0	0	0	0	110.4	A128 K132 E140	A128-V130 WeakPolarHBondContact O-CG2 3.06Å; A128-V130 PolarHBondContact O-N 3.2Å; V130-K132 VanDerWaalsContact C-N 3.34Å; V130-E140 HydrophobicContact CB-CG 4.47Å; V130-E140 HydrophobicContact CG2-CG 4.29Å; V130-E140 PolarHBondContact N-OE1 3.36Å
131	D	86	Confident	85	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	33%	0.331	S	S	.	.	S	Bend	trans	-85.1	-9.8	-177.4	71	19	0	0	0	113.7	D133 E140	D131-D133 VanDerWaalsContact C-N 3.35Å; D131-D133 WeakPolarHBondContact OD1-CB 3.45Å; D131-D133 VanDerWaalsContact OD1-CG 3.32Å; D131-D133 PolarHBondContact OD1-N 2.71Å; D131-D133 VanDerWaalsContact OD1-N 3.08Å; D131-E140 PolarHBondContact N-OE1 2.9Å
132	K	85	Confident	84.9	Confident	178 Å²	178	62.1 Å²	62.1	77%	0.774	33%	0.334	S	S	*	.			trans	65.1	34.3	176.4	-57.5	-172.7	177.4	-172.1	0	113.2	D129 V130 G134	D129-K132 VanDerWaalsContact CG-CA 3.49Å; D129-K132 WeakPolarHBondContact OD1-CA 3.45Å; D129-K132 PolarHBondContact OD1-N 3.02Å; D129-K132 VanDerWaalsContact OD2-CA 3.27Å; D129-K132 WeakPolarHBondContact OD2-CA 3.35Å; V130-K132 VanDerWaalsContact C-N 3.34Å; K132-G134 VanDerWaalsContact C-N 3.27Å
133	D	85.9	Confident	84.6	Confident	81 Å²	81	64.1 Å²	64.1	43%	0.433	34%	0.336	S	S	.	.	S	Bend	trans	-81.9	-6.5	175.5	85.1	-7.1	0	0	0	113.3	D129 D131 K135	D129-D133 PolarHBondContact OD1-N 2.88Å; D129-D133 PolarHBondContact OD2-N 2.87Å; D131-D133 VanDerWaalsContact C-N 3.35Å; D131-D133 WeakPolarHBondContact OD1-CB 3.45Å; D131-D133 VanDerWaalsContact OD1-CG 3.32Å; D131-D133 PolarHBondContact OD1-N 2.71Å; D131-D133 VanDerWaalsContact OD1-N 3.08Å; D133-K135 VanDerWaalsContact C-N 3.31Å; D133-K135 WeakPolarHBondContact OD1-CA 3.14Å; D133-K135 WeakPolarHBondContact OD1-CB 3.44Å; D133-K135 PolarHBondContact OD1-N 3.25Å; D133-K135 VanDerWaalsContact OD1-O 3.11Å
134	G	83.7	Confident	84.2	Confident	40 Å²	40	64 Å²	64	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	82.1	8.7	179.8	0	0	0	0	0	113.9	D129 K132	D129-G134 VanDerWaalsContact OD2-CA 3.31Å; D129-G134 WeakPolarHBondContact OD2-CA 3.27Å; D129-G134 PolarHBondContact OD2-N 2.85Å; K132-G134 VanDerWaalsContact C-N 3.27Å
135	K	86.9	Confident	83.7	Confident	65 Å²	65	64.7 Å²	64.7	28%	0.283	33%	0.331	S	S	.	.	S	Bend	trans	-127.7	170.1	174	-53.2	-170.5	169.5	-162.7	0	109.1	D97 H99 T101 D133	D97-K135 IonicContact OD2-NZ 2.85Å; D97-K135 PolarHBondContact OD2-NZ 2.85Å; H99-K135 HydrophobicContact CB-CB 3.94Å; H99-K135 HydrophobicContact CB-CD 3.73Å; T101-K135 HydrophobicContact CG2-CD 3.97Å; T101-K135 HydrophobicContact CG2-CG 4.09Å; D133-K135 VanDerWaalsContact C-N 3.31Å; D133-K135 WeakPolarHBondContact OD1-CA 3.14Å; D133-K135 WeakPolarHBondContact OD1-CB 3.44Å; D133-K135 PolarHBondContact OD1-N 3.25Å; D133-K135 VanDerWaalsContact OD1-O 3.11Å
136	V	88.5	Confident	82.8	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110.4	175.7	176.7	0	0	0	0	109	H99 I100 I125 A128 E140 F141	H99-V136 CarbonylContact C-O 3.46Å; H99-V136 WeakPolarHBondContact CA-O 3.39Å; I100-V136 HydrophobicContact CB-CB 4.37Å; I100-V136 PolarHBondContact N-O 3.11Å; I100-V136 PolarHBondContact O-N 2.94Å; I125-V136 HydrophobicContact CD1-CB 4.45Å; I125-V136 HydrophobicContact CD1-CG2 3.55Å; I125-V136 HydrophobicContact CG2-CG2 4.29Å; A128-V136 HydrophobicContact CB-CG1 4.1Å; A128-V136 HydrophobicContact CB-CG2 3.78Å; V136-E140 WeakPolarHBondContact CA-OE2 3.44Å; V136-E140 HydrophobicContact CG1-CB 3.79Å; V136-F141 HydrophobicContact CG1-CB 3.94Å
137	N	88.8	Confident	81.4	Confident	27 Å²	27	75.1 Å²	75.1	14%	0.144	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	171.4	176.1	67.9	54.9	0	0	0	111.8	E139 E140 F141	N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.18Å; N137-E139 WeakPolarHBondContact OD1-CA 3.34Å; N137-E139 WeakPolarHBondContact OD1-CB 3.37Å; N137-E139 PolarHBondContact OD1-N 2.93Å; N137-E140 VanDerWaalsContact CG-OE2 3.27Å; N137-E140 PolarHBondContact N-OE2 3.12Å; N137-E140 VanDerWaalsContact ND2-CD 3.31Å; N137-E140 PolarHBondContact ND2-OE2 2.68Å; N137-E140 PolarHBondContact O-N 2.88Å; N137-E140 PolarHBondContact OD1-N 3.4Å; N137-F141 PolarHBondContact O-N 2.87Å
138	Y	84.6	Confident	79.4	Confident	60 Å²	60	79.4 Å²	79.4	24%	0.235	38%	0.378	C	S	.	.	H	α-helix	trans	-56.1	-38.2	-179.5	176.3	-98.8	0	0	0	113.6	E82 M85 R86 F89 A142	E82-Y138 WeakPolarHBondContact CG-OH 3.45Å; M85-Y138 HydrophobicContact CB-CE2 4.44Å; R86-Y138 HydrophobicContact CG-CD2 4.41Å; R86-Y138 HydrophobicContact CG-CE2 3.67Å; F89-Y138 HydrophobicContact CB-CD2 4.34Å; F89-Y138 HydrophobicContact CD1-CD2 4.48Å; F89-Y138 HydrophobicContact CD2-CD2 4.17Å; F89-Y138 HydrophobicContact CG-CD2 4.07Å; Y138-A142 WeakPolarHBondContact O-CB 3.44Å; Y138-A142 PolarHBondContact O-N 2.84Å
139	E	83.8	Confident	79.2	Confident	157 Å²	157	82.9 Å²	82.9	73%	0.734	39%	0.393	S	S	*	.	H	α-helix	trans	-70.1	-38	-178.3	-62.4	-168.9	96.3	0	0	111.7	N137 R143	N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact O-N 3.18Å; N137-E139 WeakPolarHBondContact OD1-CA 3.34Å; N137-E139 WeakPolarHBondContact OD1-CB 3.37Å; N137-E139 PolarHBondContact OD1-N 2.93Å; E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.26Å
140	E	87	Confident	78.8	Confident	12 Å²	12	86.3 Å²	86.3	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-67.8	-45.7	175.7	-70.9	172.2	146.6	0	0	111.8	A128 V130 D131 V136 N137 A142 R143 M144	A128-E140 WeakPolarHBondContact O-CB 3.44Å; A128-E140 WeakPolarHBondContact O-CG 3.4Å; V130-E140 HydrophobicContact CB-CG 4.47Å; V130-E140 HydrophobicContact CG2-CG 4.29Å; V130-E140 PolarHBondContact N-OE1 3.36Å; D131-E140 PolarHBondContact N-OE1 2.9Å; V136-E140 WeakPolarHBondContact CA-OE2 3.44Å; V136-E140 HydrophobicContact CG1-CB 3.79Å; N137-E140 VanDerWaalsContact CG-OE2 3.27Å; N137-E140 PolarHBondContact N-OE2 3.12Å; N137-E140 VanDerWaalsContact ND2-CD 3.31Å; N137-E140 PolarHBondContact ND2-OE2 2.68Å; N137-E140 PolarHBondContact O-N 2.88Å; N137-E140 PolarHBondContact OD1-N 3.4Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 2.84Å; E140-R143 PolarHBondContact O-N 2.81Å; E140-M144 PolarHBondContact O-N 2.85Å
141	F	82.7	Confident	78.4	Confident	17 Å²	17	86.7 Å²	86.7	8%	0.075	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-43.9	174.4	-171.7	-101.1	0	0	0	111.9	V88 F89 F92 I100 V136 N137 R143 M144 L145	V88-F141 HydrophobicContact CB-CE1 4.39Å; V88-F141 HydrophobicContact CG1-CE1 3.86Å; V88-F141 HydrophobicContact CG1-CZ 3.66Å; F89-F141 HydrophobicContact CB-CD1 4.22Å; F89-F141 HydrophobicContact CB-CE1 4.3Å; F89-F141 HydrophobicContact CD2-CB 3.76Å; F89-F141 AromaticContact CD2-CD1 3.72Å; F89-F141 HydrophobicContact CD2-CD1 3.72Å; F89-F141 HydrophobicContact CD2-CD2 4.48Å; F89-F141 HydrophobicContact CD2-CE1 4.44Å; F89-F141 AromaticContact CD2-CG 3.74Å; F89-F141 HydrophobicContact CD2-CG 3.74Å; F89-F141 HydrophobicContact CE2-CB 3.93Å; F89-F141 HydrophobicContact CE2-CG 4.31Å; F89-F141 HydrophobicContact CG-CD1 4.48Å; F92-F141 HydrophobicContact CD2-CE2 4.06Å; F92-F141 AromaticContact CD2-CZ 3.79Å; F92-F141 HydrophobicContact CD2-CZ 3.79Å; F92-F141 HydrophobicContact CE2-CE2 4.34Å; F92-F141 AromaticContact CE2-CZ 3.96Å; F92-F141 HydrophobicContact CE2-CZ 3.96Å; I100-F141 HydrophobicContact CD1-CD2 3.66Å; I100-F141 HydrophobicContact CD1-CE2 4Å; I100-F141 HydrophobicContact CD1-CG 4.11Å; V136-F141 HydrophobicContact CG1-CB 3.94Å; N137-F141 PolarHBondContact O-N 2.87Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 PolarHBondContact O-N 3.29Å; F141-M144 PolarHBondContact O-N 3.45Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CE1-CD1 3.23Å; F141-L145 HydrophobicContact CE1-CG 4.2Å; F141-L145 HydrophobicContact CZ-CD1 3.69Å; F141-L145 HydrophobicContact CZ-CG 4.34Å; F141-L145 PolarHBondContact O-N 3.47Å
142	A	80.6	Confident	78	Confident	10 Å²	10	86.3 Å²	86.3	8%	0.083	40%	0.399	C	S	.	.	H	α-helix	trans	-59.3	-40.2	175.7	0	0	0	0	0	112.2	M85 Y138 E140 R146	M85-A142 VanDerWaalsContact CE-CA 3.47Å; M85-A142 HydrophobicContact CE-CB 3.23Å; Y138-A142 WeakPolarHBondContact O-CB 3.44Å; Y138-A142 PolarHBondContact O-N 2.84Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 2.84Å; A142-R146 WeakPolarHBondContact O-CB 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.24Å; A142-R146 PolarHBondContact O-N 3.09Å; A142-R146 VanDerWaalsContact O-N 3.11Å
143	R	79.3	Confident	77.6	Confident	123 Å²	123	80.6 Å²	80.6	46%	0.464	38%	0.375	S	S	.	.	H	α-helix	trans	-68.3	-46.7	177	179.2	178.9	148.8	-155.6	-21.4	111.2	E139 E140 F141 L145 R146 E147	E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.26Å; E140-R143 PolarHBondContact O-N 2.81Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 PolarHBondContact O-N 3.29Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 2.96Å; R143-R146 PolarHBondContact O-N 2.9Å; R143-E147 HydrophobicContact CG-CG 4.38Å; R143-E147 WeakPolarHBondContact CG-OE2 3.39Å; R143-E147 IonicContact CZ-OE2 3.24Å; R143-E147 IonicContact NE-OE2 3.7Å; R143-E147 PolarHBondContact NE-OE2 2.77Å; R143-E147 IonicContact NH2-OE2 3.65Å; R143-E147 PolarHBondContact O-N 3.49Å
144	M	76.4	Confident	77	Confident	58 Å²	58	80.5 Å²	80.5	29%	0.286	37%	0.371	S	S	.	.	H	α-helix	trans	-55	-43.1	177.6	-167.4	-162.8	-160.4	0	0	111.9	M124 A128 E140 F141	M124-M144 HydrophobicContact CB-CE 4.43Å; M124-M144 HydrophobicContact CE-CE 4.02Å; A128-M144 HydrophobicContact CB-SD 4.23Å; E140-M144 PolarHBondContact O-N 2.85Å; F141-M144 PolarHBondContact O-N 3.45Å
145	L	70.3	Confident	76.5	Confident	72 Å²	72	83.4 Å²	83.4	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-74.2	-25.7	177.8	-75.3	175.9	0	0	0	114	M85 F141 R143	M85-L145 HydrophobicContact CG-CD1 3.61Å; M85-L145 HydrophobicContact SD-CB 4.22Å; M85-L145 HydrophobicContact SD-CD1 4.31Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CE1-CD1 3.23Å; F141-L145 HydrophobicContact CE1-CG 4.2Å; F141-L145 HydrophobicContact CZ-CD1 3.69Å; F141-L145 HydrophobicContact CZ-CG 4.34Å; F141-L145 PolarHBondContact O-N 3.47Å; R143-L145 VanDerWaalsContact C-N 3.27Å; R143-L145 PolarHBondContact O-N 2.96Å
146	R	65	Low	75.7	Confident	175 Å²	175	84.8 Å²	84.8	66%	0.66	38%	0.375	S	S	*	.	H	α-helix	trans	-81.4	-21.7	177.2	-78.5	176.7	-177	-159.9	5.7	113.8	A142 R143 K148	A142-R146 WeakPolarHBondContact O-CB 3.3Å; A142-R146 WeakPolarHBondContact O-CG 3.24Å; A142-R146 PolarHBondContact O-N 3.09Å; A142-R146 VanDerWaalsContact O-N 3.11Å; R143-R146 PolarHBondContact O-N 2.9Å; R146-K148 VanDerWaalsContact C-N 3.31Å
147	E	55.6	Low	74.7	Confident	144 Å²	144	91.5 Å²	91.5	67%	0.673	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	9.2	178.6	-67.1	-164.2	92.8	0	0	113.4	R143	R143-E147 HydrophobicContact CG-CG 4.38Å; R143-E147 WeakPolarHBondContact CG-OE2 3.39Å; R143-E147 IonicContact CZ-OE2 3.24Å; R143-E147 IonicContact NE-OE2 3.7Å; R143-E147 PolarHBondContact NE-OE2 2.77Å; R143-E147 IonicContact NH2-OE2 3.65Å; R143-E147 PolarHBondContact O-N 3.49Å
148	K	42.1	Very low	73.4	Confident	243 Å²	243	97.4 Å²	97.4	100%	1.057	43%	0.427	S	S	*	.			trans	-97.4	0	172.1	-119.1	-178.3	-178.2	176.6	0	112.1	R146	R146-K148 VanDerWaalsContact C-N 3.31Å

Retrieved 148 of 148 residues in 132.7 ms (Link to these results)

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