G4VCI6_SCHMA Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession G4VCI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 272 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.6	Low	76	Confident	172 Å²	172	105.5 Å²	105.5	85%	0.847	50%	0.496	S	S	*	.				0	-46.3	0	-74.9	-177.3	-179.2	0	0	113.1	H3 K4 R5	M1-H3 PolarHBondContact O-N 3.36Å; M1-K4 PolarHBondContact O-N 2.89Å; M1-R5 PolarHBondContact O-N 3.05Å
2	K	68.4	Low	77.4	Confident	55 Å²	55	102.8 Å²	102.8	24%	0.239	48%	0.483	C	S	.	.	H	α-helix	trans	-44.4	-53.4	178	-179.1	-177.3	173	-161.6	0	115.3	K4 R5 D6 W234 D235	K2-K4 VanDerWaalsContact C-N 3.26Å; K2-K4 PolarHBondContact O-N 3.24Å; K2-K4 VanDerWaalsContact O-N 3.15Å; K2-R5 WeakPolarHBondContact O-CA 3.23Å; K2-R5 WeakPolarHBondContact O-CB 3.44Å; K2-R5 PolarHBondContact O-N 3.31Å; K2-D6 WeakPolarHBondContact CE-OD2 3.45Å; K2-D6 WeakPolarHBondContact CG-OD2 3.49Å; K2-D6 PolarHBondContact O-N 2.98Å; K2-W234 HydrophobicContact CD-CB 4.3Å; K2-W234 HydrophobicContact CD-CD2 4.23Å; K2-W234 HydrophobicContact CD-CG 3.75Å; K2-D235 IonicContact NZ-OD1 2.64Å; K2-D235 IonicContact NZ-OD2 3.53Å; K2-D235 PolarHBondContact NZ-OD2 3.09Å
3	H	68.2	Low	78.6	Confident	150 Å²	150	100.4 Å²	100.4	69%	0.694	48%	0.482	S	S	*	.	H	α-helix	trans	-56.6	-36.9	-176.4	-170.8	67.6	0	0	0	113.8	M1 L7	M1-H3 PolarHBondContact O-N 3.36Å; H3-L7 WeakPolarHBondContact O-CB 3.42Å; H3-L7 PolarHBondContact O-N 3.1Å
4	K	73.1	Confident	79.8	Confident	173 Å²	173	94.8 Å²	94.8	75%	0.752	45%	0.453	S	S	*	.	H	α-helix	trans	-68.4	-35.1	175.3	-68.3	-173.3	177.2	-175.8	0	112.1	M1 K2 K8	M1-K4 PolarHBondContact O-N 2.89Å; K2-K4 VanDerWaalsContact C-N 3.26Å; K2-K4 PolarHBondContact O-N 3.24Å; K2-K4 VanDerWaalsContact O-N 3.15Å; K4-K8 WeakPolarHBondContact O-CB 3.43Å; K4-K8 PolarHBondContact O-N 3.49Å; K4-K8 VanDerWaalsContact O-N 3.07Å
5	R	72.9	Confident	80.8	Confident	85 Å²	85	88.8 Å²	88.8	32%	0.321	43%	0.425	S	S	.	.	H	α-helix	trans	-70.2	-48.1	175.7	-61.7	-173.5	-139	150.6	-0.1	111	M1 K2 L7 K8 L9 E163 E167	M1-R5 PolarHBondContact O-N 3.05Å; K2-R5 WeakPolarHBondContact O-CA 3.23Å; K2-R5 WeakPolarHBondContact O-CB 3.44Å; K2-R5 PolarHBondContact O-N 3.31Å; R5-L7 VanDerWaalsContact C-N 3.29Å; R5-L7 PolarHBondContact O-N 2.99Å; R5-K8 PolarHBondContact O-N 3.46Å; R5-K8 VanDerWaalsContact O-N 3.16Å; R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 2.85Å; R5-E163 IonicContact NH1-OE2 2.73Å; R5-E163 PolarHBondContact NH1-OE2 3.38Å; R5-E163 VanDerWaalsContact NH1-OE2 3.14Å; R5-E167 IonicContact CZ-OE2 2.87Å; R5-E167 IonicContact NH2-OE2 3.94Å; R5-E167 PolarHBondContact NH2-OE2 2.92Å
6	D	75.4	Confident	81.7	Confident	35 Å²	35	88.3 Å²	88.3	19%	0.187	42%	0.424	C	S	.	.	H	α-helix	trans	-55.6	-48.2	176.2	-71.8	-17	0	0	0	109.7	K2 K8 L9 L10	K2-D6 WeakPolarHBondContact CE-OD2 3.45Å; K2-D6 WeakPolarHBondContact CG-OD2 3.49Å; K2-D6 PolarHBondContact O-N 2.98Å; D6-K8 PolarHBondContact O-N 3.32Å; D6-L9 WeakPolarHBondContact O-CB 3.42Å; D6-L9 PolarHBondContact O-N 2.83Å; D6-L9 VanDerWaalsContact O-N 3.14Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.29Å; D6-L10 PolarHBondContact O-N 3.45Å
7	L	81.1	Confident	82.6	Confident	96 Å²	96	85.9 Å²	85.9	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-59.4	-46.8	177.2	-175.4	62.9	0	0	0	112.3	H3 R5 L9 L10 L11	H3-L7 WeakPolarHBondContact O-CB 3.42Å; H3-L7 PolarHBondContact O-N 3.1Å; R5-L7 VanDerWaalsContact C-N 3.29Å; R5-L7 PolarHBondContact O-N 2.99Å; L7-L9 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L7-L11 HydrophobicContact CD1-CD1 4.11Å; L7-L11 HydrophobicContact CG-CD1 4.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.25Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.17Å
8	K	82.6	Confident	83.4	Confident	170 Å²	170	81.2 Å²	81.2	74%	0.739	39%	0.393	S	S	*	.	H	α-helix	trans	-60.8	-36.6	177	-171.4	177.5	-178.2	-178.9	0	111.9	K4 R5 D6 L11	K4-K8 WeakPolarHBondContact O-CB 3.43Å; K4-K8 PolarHBondContact O-N 3.49Å; K4-K8 VanDerWaalsContact O-N 3.07Å; R5-K8 PolarHBondContact O-N 3.46Å; R5-K8 VanDerWaalsContact O-N 3.16Å; D6-K8 PolarHBondContact O-N 3.32Å; K8-L11 PolarHBondContact O-N 3.43Å
9	L	82.9	Confident	84	Confident	55 Å²	55	81.9 Å²	81.9	29%	0.288	40%	0.397	S	S	.	.	H	α-helix	trans	-66.9	-39.8	176.5	-172.8	62.6	0	0	0	111.4	R5 D6 L7 L11 H12 F15 P70 P113	R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 2.85Å; D6-L9 WeakPolarHBondContact O-CB 3.42Å; D6-L9 PolarHBondContact O-N 2.83Å; D6-L9 VanDerWaalsContact O-N 3.14Å; L7-L9 PolarHBondContact O-N 2.95Å; L9-L11 PolarHBondContact O-N 2.85Å; L9-H12 WeakPolarHBondContact O-CB 3.43Å; L9-H12 PolarHBondContact O-N 3.36Å; L9-F15 HydrophobicContact CG-CE2 4.17Å; L9-F15 WeakPolarHBondContact O-CD2 3.46Å; L9-F15 VanDerWaalsContact O-CE2 3.23Å; L9-F15 WeakPolarHBondContact O-CE2 3.3Å; L9-P70 HydrophobicContact CD2-CB 4.12Å; L9-P70 HydrophobicContact CD2-CG 3.45Å; L9-P70 VanDerWaalsContact CD2-CG 3.45Å; L9-P70 HydrophobicContact CG-CG 4.37Å; L9-P113 HydrophobicContact CD1-CB 3.84Å; L9-P113 HydrophobicContact CD1-CG 3.48Å; L9-P113 VanDerWaalsContact CD1-CG 3.48Å; L9-P113 HydrophobicContact CG-CG 4.4Å
10	L	84.8	Confident	84.7	Confident	52 Å²	52	82.4 Å²	82.4	27%	0.272	40%	0.401	S	S	.	.	H	α-helix	trans	-67.9	-19.9	176.1	-64	-175.7	0	0	0	113.7	D6 L7 H12 F15 L73	D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.29Å; D6-L10 PolarHBondContact O-N 3.45Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-L10 VanDerWaalsContact O-N 3.16Å; L10-H12 VanDerWaalsContact C-N 3.27Å; L10-F15 HydrophobicContact CD2-CD1 4.09Å; L10-F15 HydrophobicContact CD2-CE1 4.16Å; L10-F15 HydrophobicContact CD2-CG 4.33Å; L10-F15 HydrophobicContact CD2-CZ 4.4Å; L10-F15 WeakPolarHBondContact O-CB 3.19Å; L10-L73 HydrophobicContact CD1-CD1 4.28Å; L10-L73 HydrophobicContact CD2-CD1 3.32Å; L10-L73 HydrophobicContact CG-CD1 4.41Å
11	L	88.7	Confident	85.3	Confident	117 Å²	117	79.2 Å²	79.2	61%	0.613	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4	172	-92.3	71.4	0	0	0	113.2	L7 K8 L9 I16	L7-L11 HydrophobicContact CD1-CD1 4.11Å; L7-L11 HydrophobicContact CG-CD1 4.31Å; L7-L11 WeakPolarHBondContact O-CD1 3.25Å; L7-L11 PolarHBondContact O-N 2.95Å; L7-L11 VanDerWaalsContact O-N 3.17Å; K8-L11 PolarHBondContact O-N 3.43Å; L9-L11 PolarHBondContact O-N 2.85Å; L11-I16 WeakPolarHBondContact O-CD1 3.48Å
12	H	91.7	Very high	87.1	Confident	73 Å²	73	71.5 Å²	71.5	34%	0.338	35%	0.349	S	S	.	.	S	Bend	trans	-61.7	140.7	178.1	-170.9	-92.5	0	0	0	110.9	L9 L10 Y14 F15 I16 P113	L9-H12 WeakPolarHBondContact O-CB 3.43Å; L9-H12 PolarHBondContact O-N 3.36Å; L10-H12 VanDerWaalsContact C-N 3.27Å; H12-Y14 VanDerWaalsContact ND1-CB 3.26Å; H12-Y14 WeakPolarHBondContact ND1-CB 3.5Å; H12-Y14 PolarHBondContact ND1-N 3.44Å; H12-Y14 PolarHBondContact O-N 3.09Å; H12-F15 HydrophobicContact CB-CD2 4.08Å; H12-F15 HydrophobicContact CB-CE2 4.48Å; H12-F15 PolarHBondContact O-N 2.72Å; H12-I16 PolarHBondContact O-N 3.42Å; H12-P113 HydrophobicContact CB-CG 4.21Å
13	P	94	Very high	88.4	Confident	72 Å²	72	70.5 Å²	70.5	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-50.7	-32.4	-178.1	-30.1	35.3	0	0	0	114.3	F15 I16 V17 L110	P13-F15 PolarHBondContact O-N 3.03Å; P13-I16 PolarHBondContact O-N 3.22Å; P13-V17 WeakPolarHBondContact O-CB 3.23Å; P13-V17 WeakPolarHBondContact O-CG2 3.31Å; P13-V17 PolarHBondContact O-N 3.28Å; P13-L110 HydrophobicContact CB-CD2 4.43Å
14	Y	95.1	Very high	89.7	Confident	22 Å²	22	66 Å²	66	9%	0.086	33%	0.332	C	S	.	.	H	α-helix	trans	-48.6	-55.4	171	175.1	-100.7	0	0	0	112.9	H12 N18 L110 Q111 Q112	H12-Y14 VanDerWaalsContact ND1-CB 3.26Å; H12-Y14 WeakPolarHBondContact ND1-CB 3.5Å; H12-Y14 PolarHBondContact ND1-N 3.44Å; H12-Y14 PolarHBondContact O-N 3.09Å; Y14-N18 VanDerWaalsContact CD2-ND2 3.32Å; Y14-N18 WeakPolarHBondContact CD2-ND2 3.44Å; Y14-N18 WeakPolarHBondContact CE2-ND2 3.37Å; Y14-N18 VanDerWaalsContact O-CB 3.29Å; Y14-N18 WeakPolarHBondContact O-CB 3.5Å; Y14-N18 PolarHBondContact O-N 2.94Å; Y14-N18 PolarHBondContact O-ND2 2.92Å; Y14-L110 HydrophobicContact CD2-CB 4.46Å; Y14-L110 WeakPolarHBondContact CD2-O 3.14Å; Y14-L110 WeakPolarHBondContact CE2-O 3.45Å; Y14-Q111 VanDerWaalsContact CD2-C 3.42Å; Y14-Q111 WeakPolarHBondContact CD2-O 3.22Å; Y14-Q112 HydrophobicContact CD1-CB 4.4Å; Y14-Q112 HydrophobicContact CD1-CG 4.47Å; Y14-Q112 HydrophobicContact CE1-CB 3.88Å; Y14-Q112 HydrophobicContact CE1-CG 3.97Å; Y14-Q112 HydrophobicContact CE2-CB 4.11Å
15	F	94.7	Very high	90.8	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-69.4	-38.1	-175.3	-67	-81.6	0	0	0	111.3	L9 L10 H12 P13 M19 P70 L73 Y77 P113	L9-F15 HydrophobicContact CG-CE2 4.17Å; L9-F15 WeakPolarHBondContact O-CD2 3.46Å; L9-F15 VanDerWaalsContact O-CE2 3.23Å; L9-F15 WeakPolarHBondContact O-CE2 3.3Å; L10-F15 HydrophobicContact CD2-CD1 4.09Å; L10-F15 HydrophobicContact CD2-CE1 4.16Å; L10-F15 HydrophobicContact CD2-CG 4.33Å; L10-F15 HydrophobicContact CD2-CZ 4.4Å; L10-F15 WeakPolarHBondContact O-CB 3.19Å; H12-F15 HydrophobicContact CB-CD2 4.08Å; H12-F15 HydrophobicContact CB-CE2 4.48Å; H12-F15 PolarHBondContact O-N 2.72Å; P13-F15 PolarHBondContact O-N 3.03Å; F15-M19 VanDerWaalsContact O-CB 3.22Å; F15-M19 WeakPolarHBondContact O-CB 3.36Å; F15-M19 PolarHBondContact O-N 3.19Å; F15-P70 HydrophobicContact CE1-CB 4.33Å; F15-P70 HydrophobicContact CZ-CB 3.87Å; F15-L73 HydrophobicContact CD1-CB 4.26Å; F15-L73 HydrophobicContact CD1-CD1 4.31Å; F15-L73 HydrophobicContact CE1-CB 4.18Å; F15-Y77 HydrophobicContact CB-CE2 4.48Å; F15-Y77 AromaticContact CD1-CE2 3.95Å; F15-Y77 HydrophobicContact CD1-CE2 3.95Å; F15-P113 HydrophobicContact CE2-CG 3.86Å
16	I	94.7	Very high	91.7	Very high	81 Å²	81	55.7 Å²	55.7	42%	0.415	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-52.3	178.4	-59.8	173	0	0	0	110.5	L11 H12 P13 N18 M19 L20	L11-I16 WeakPolarHBondContact O-CD1 3.48Å; H12-I16 PolarHBondContact O-N 3.42Å; P13-I16 PolarHBondContact O-N 3.22Å; I16-N18 PolarHBondContact O-N 2.96Å; I16-M19 WeakPolarHBondContact O-CB 3.46Å; I16-M19 PolarHBondContact O-N 2.97Å; I16-L20 HydrophobicContact CG2-CD1 4.33Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.4Å
17	V	96.8	Very high	92.5	Very high	48 Å²	48	57.2 Å²	57.2	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-40.5	-179.3	176.2	0	0	0	0	111.3	P13 M19 L20 L21 Q106 L110	P13-V17 WeakPolarHBondContact O-CB 3.23Å; P13-V17 WeakPolarHBondContact O-CG2 3.31Å; P13-V17 PolarHBondContact O-N 3.28Å; V17-M19 VanDerWaalsContact C-N 3.35Å; V17-M19 PolarHBondContact O-N 2.95Å; V17-L20 PolarHBondContact O-N 3.06Å; V17-L21 HydrophobicContact CG1-CD1 4.2Å; V17-L21 HydrophobicContact CG1-CG 4.41Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 3.42Å; V17-Q106 HydrophobicContact CG1-CB 4.41Å; V17-Q106 HydrophobicContact CG1-CG 3.86Å; V17-L110 HydrophobicContact CB-CD1 3.77Å; V17-L110 HydrophobicContact CG1-CD1 3.87Å; V17-L110 HydrophobicContact CG2-CD1 3.65Å
18	N	97.3	Very high	93.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-41.1	176.5	-85.2	-86.8	0	0	0	112.1	Y14 I16 L21 S22 Y77 K81 Q106	Y14-N18 VanDerWaalsContact CD2-ND2 3.32Å; Y14-N18 WeakPolarHBondContact CD2-ND2 3.44Å; Y14-N18 WeakPolarHBondContact CE2-ND2 3.37Å; Y14-N18 VanDerWaalsContact O-CB 3.29Å; Y14-N18 WeakPolarHBondContact O-CB 3.5Å; Y14-N18 PolarHBondContact O-N 2.94Å; Y14-N18 PolarHBondContact O-ND2 2.92Å; I16-N18 PolarHBondContact O-N 2.96Å; N18-L21 PolarHBondContact O-N 3.08Å; N18-S22 WeakPolarHBondContact O-CB 3.41Å; N18-S22 PolarHBondContact O-N 3.33Å; N18-S22 PolarHBondContact O-OG 2.85Å; N18-Y77 HydrophobicContact CB-CD2 3.53Å; N18-Y77 HydrophobicContact CB-CE2 4.11Å; N18-Y77 HydrophobicContact CB-CG 3.8Å; N18-K81 WeakPolarHBondContact OD1-CE 3.27Å; N18-K81 PolarHBondContact OD1-NZ 2.93Å; N18-Q106 PolarHBondContact ND2-NE2 3.22Å; N18-Q106 VanDerWaalsContact ND2-NE2 3.12Å; N18-Q106 PolarHBondContact OD1-OE1 3.39Å
19	M	95.7	Very high	93.5	Very high	94 Å²	94	44.9 Å²	44.9	46%	0.463	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46.7	174.6	-176.5	-175.3	72.3	0	0	111.4	F15 I16 V17 S22 A23 Y77	F15-M19 VanDerWaalsContact O-CB 3.22Å; F15-M19 WeakPolarHBondContact O-CB 3.36Å; F15-M19 PolarHBondContact O-N 3.19Å; I16-M19 WeakPolarHBondContact O-CB 3.46Å; I16-M19 PolarHBondContact O-N 2.97Å; V17-M19 VanDerWaalsContact C-N 3.35Å; V17-M19 PolarHBondContact O-N 2.95Å; M19-S22 PolarHBondContact O-N 2.96Å; M19-A23 WeakPolarHBondContact O-CB 3.37Å; M19-A23 PolarHBondContact O-N 2.76Å; M19-Y77 HydrophobicContact CB-CE1 3.89Å; M19-Y77 HydrophobicContact CG-CE1 4.29Å
20	L	96.6	Very high	93.8	Very high	92 Å²	92	46.9 Å²	46.9	48%	0.482	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-46.8	177.3	-69.3	174.1	0	0	0	111.7	I16 V17 S22 A23 L24	I16-L20 HydrophobicContact CG2-CD1 4.33Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 3.06Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 2.76Å; L20-A23 PolarHBondContact O-N 3.11Å; L20-L24 WeakPolarHBondContact O-CA 3.29Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.21Å
21	L	98	Very high	94.2	Very high	15 Å²	15	47 Å²	47	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-38.7	177	-73.1	178.1	0	0	0	112.6	V17 N18 A23 L24 K81 Y99 L102 Q106	V17-L21 HydrophobicContact CG1-CD1 4.2Å; V17-L21 HydrophobicContact CG1-CG 4.41Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 3.42Å; N18-L21 PolarHBondContact O-N 3.08Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD2-CD2 4.24Å; L21-L24 WeakPolarHBondContact O-CB 3.38Å; L21-L24 PolarHBondContact O-N 3.35Å; L21-K81 HydrophobicContact CB-CD 3.99Å; L21-K81 HydrophobicContact CB-CG 4.23Å; L21-K81 HydrophobicContact CD1-CD 4.36Å; L21-Y99 HydrophobicContact CD2-CE2 4.41Å; L21-Y99 WeakPolarHBondContact O-CE2 3.45Å; L21-Y99 PolarHBondContact O-OH 3.09Å; L21-L102 HydrophobicContact CD2-CB 4.23Å; L21-Q106 HydrophobicContact CD1-CB 3.7Å; L21-Q106 HydrophobicContact CD1-CG 3.85Å
22	S	96.7	Very high	94.2	Very high	10 Å²	10	45.9 Å²	45.9	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-32.2	176.6	-67.9	0	0	0	0	113.2	N18 M19 L20 Y77 S84	N18-S22 WeakPolarHBondContact O-CB 3.41Å; N18-S22 PolarHBondContact O-N 3.33Å; N18-S22 PolarHBondContact O-OG 2.85Å; M19-S22 PolarHBondContact O-N 2.96Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 2.76Å; S22-Y77 WeakPolarHBondContact OG-CA 3.37Å; S22-Y77 WeakPolarHBondContact OG-CD1 3.29Å; S22-Y77 PolarHBondContact OG-O 3.24Å; S22-S84 PolarHBondContact O-OG 2.9Å
23	A	95.2	Very high	94.2	Very high	34 Å²	34	48.8 Å²	48.8	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-89.8	-10.3	178	0	0	0	0	0	113.1	M19 L20 L21 F25 F26 I27	M19-A23 WeakPolarHBondContact O-CB 3.37Å; M19-A23 PolarHBondContact O-N 2.76Å; L20-A23 PolarHBondContact O-N 3.11Å; L21-A23 VanDerWaalsContact C-N 3.33Å; A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 3.39Å; A23-F26 PolarHBondContact O-N 2.92Å; A23-I27 HydrophobicContact CB-CD1 3.62Å; A23-I27 HydrophobicContact CB-CG1 4.09Å; A23-I27 WeakPolarHBondContact O-CG1 3.46Å; A23-I27 PolarHBondContact O-N 2.77Å
24	L	96.4	Very high	94	Very high	56 Å²	56	50 Å²	50	29%	0.293	27%	0.272	S	S	.	.	H	α-helix	trans	-56	-42.7	-165.5	-174	55.4	0	0	0	113.5	L20 L21 F26 I27 S28 F88 Y99	L20-L24 WeakPolarHBondContact O-CA 3.29Å; L20-L24 WeakPolarHBondContact O-CB 3.49Å; L20-L24 PolarHBondContact O-N 3.21Å; L21-L24 HydrophobicContact CD2-CD2 4.24Å; L21-L24 WeakPolarHBondContact O-CB 3.38Å; L21-L24 PolarHBondContact O-N 3.35Å; L24-F26 PolarHBondContact O-N 2.85Å; L24-I27 PolarHBondContact O-N 3.02Å; L24-S28 WeakPolarHBondContact O-CB 3.25Å; L24-S28 PolarHBondContact O-N 2.94Å; L24-S28 PolarHBondContact O-OG 3.11Å; L24-F88 HydrophobicContact CG-CZ 4.4Å; L24-Y99 HydrophobicContact CB-CE2 4.15Å; L24-Y99 HydrophobicContact CD2-CD2 3.87Å; L24-Y99 HydrophobicContact CD2-CE2 3.95Å
25	F	94.7	Very high	93.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-41.6	177.8	178	-95.5	0	0	0	112.9	A23 S28 K29 Y39 E48 M87 F88	A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 3.39Å; F25-S28 WeakPolarHBondContact CA-OG 3.24Å; F25-S28 PolarHBondContact O-OG 2.91Å; F25-K29 HydrophobicContact CE1-CD 4.32Å; F25-K29 HydrophobicContact CZ-CD 4.21Å; F25-K29 WeakPolarHBondContact O-CB 3.42Å; F25-K29 PolarHBondContact O-N 2.96Å; F25-K29 VanDerWaalsContact O-N 3.14Å; F25-Y39 AromaticContact CE2-CE1 3.9Å; F25-Y39 HydrophobicContact CE2-CE1 3.9Å; F25-Y39 WeakPolarHBondContact CE2-OH 3.34Å; F25-Y39 HydrophobicContact CZ-CE1 4.34Å; F25-E48 HydrophobicContact CE1-CG 4.47Å; F25-M87 HydrophobicContact CD1-CB 3.9Å; F25-M87 HydrophobicContact CD1-CG 4.06Å; F25-M87 HydrophobicContact CD1-SD 4.24Å; F25-M87 HydrophobicContact CD2-CB 3.51Å; F25-M87 HydrophobicContact CE1-CB 3.88Å; F25-M87 HydrophobicContact CE1-CG 4.04Å; F25-M87 HydrophobicContact CE1-SD 3.69Å; F25-M87 HydrophobicContact CE2-CB 3.48Å; F25-M87 VanDerWaalsContact CE2-CB 3.48Å; F25-M87 HydrophobicContact CE2-CG 4.49Å; F25-M87 HydrophobicContact CG-CB 3.73Å; F25-M87 HydrophobicContact CG-CG 4.31Å; F25-M87 HydrophobicContact CZ-CB 3.68Å; F25-M87 HydrophobicContact CZ-CG 4.27Å; F25-M87 HydrophobicContact CZ-SD 3.97Å; F25-F88 HydrophobicContact CB-CD2 4.42Å; F25-F88 HydrophobicContact CB-CE2 3.81Å; F25-F88 HydrophobicContact CB-CZ 3.95Å; F25-F88 AromaticContact CD2-CD1 3.94Å; F25-F88 HydrophobicContact CD2-CD1 3.94Å; F25-F88 HydrophobicContact CD2-CD2 4.27Å; F25-F88 AromaticContact CD2-CE1 3.86Å; F25-F88 HydrophobicContact CD2-CE1 3.86Å; F25-F88 HydrophobicContact CD2-CE2 4.18Å; F25-F88 HydrophobicContact CD2-CG 4.15Å; F25-F88 AromaticContact CD2-CZ 3.98Å; F25-F88 HydrophobicContact CD2-CZ 3.98Å; F25-F88 HydrophobicContact CG-CZ 4.47Å
26	F	92	Very high	93.7	Very high	40 Å²	40	53.9 Å²	53.9	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-76.6	-36.3	-179.4	-63.3	-73.6	0	0	0	111.4	A23 L24 K29 T30 I44 L52 M87	A23-F26 PolarHBondContact O-N 2.92Å; L24-F26 PolarHBondContact O-N 2.85Å; F26-K29 PolarHBondContact O-N 3.4Å; F26-T30 WeakPolarHBondContact O-CB 3.38Å; F26-T30 PolarHBondContact O-N 2.86Å; F26-T30 PolarHBondContact O-OG1 2.82Å; F26-I44 HydrophobicContact CD1-CD1 4.26Å; F26-L52 HydrophobicContact CD1-CD1 4.41Å; F26-L52 HydrophobicContact CE1-CD1 3.58Å; F26-L52 HydrophobicContact CE1-CD2 4.16Å; F26-L52 HydrophobicContact CE1-CG 3.95Å; F26-L52 HydrophobicContact CE2-CD1 4.44Å; F26-L52 HydrophobicContact CE2-CD2 3.54Å; F26-L52 HydrophobicContact CE2-CG 4.23Å; F26-L52 HydrophobicContact CZ-CD1 3.61Å; F26-L52 HydrophobicContact CZ-CD2 3.29Å; F26-L52 HydrophobicContact CZ-CG 3.46Å; F26-L52 VanDerWaalsContact CZ-CG 3.46Å; F26-M87 HydrophobicContact CZ-CE 4.12Å
27	I	92.8	Very high	93.5	Very high	67 Å²	67	58.8 Å²	58.8	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-47.3	172.9	-67.5	170.1	0	0	0	109.7	A23 L24 K29 T30 V31	A23-I27 HydrophobicContact CB-CD1 3.62Å; A23-I27 HydrophobicContact CB-CG1 4.09Å; A23-I27 WeakPolarHBondContact O-CG1 3.46Å; A23-I27 PolarHBondContact O-N 2.77Å; L24-I27 PolarHBondContact O-N 3.02Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.12Å; I27-T30 PolarHBondContact O-N 3.04Å; I27-V31 HydrophobicContact CG2-CG2 3.99Å; I27-V31 WeakPolarHBondContact O-CB 3.25Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.45Å; I27-V31 PolarHBondContact O-N 2.96Å
28	S	93.4	Very high	93.1	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.028	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-32.7	179.6	53.3	0	0	0	0	113.6	L24 F25 F34 C35 Y39	L24-S28 WeakPolarHBondContact O-CB 3.25Å; L24-S28 PolarHBondContact O-N 2.94Å; L24-S28 PolarHBondContact O-OG 3.11Å; F25-S28 WeakPolarHBondContact CA-OG 3.24Å; F25-S28 PolarHBondContact O-OG 2.91Å; S28-F34 CarbonylContact O-C 3.41Å; S28-F34 WeakPolarHBondContact O-CB 3.41Å; S28-C35 WeakPolarHBondContact O-CA 3.36Å; S28-C35 PolarHBondContact O-N 2.86Å; S28-C35 VanDerWaalsContact O-N 3.13Å; S28-Y39 PolarHBondContact OG-OH 2.91Å
29	K	91.4	Very high	92.7	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.013	31%	0.306	C	S	.	.	H	α-helix	trans	-80.5	-29.5	178.4	-169.7	151.9	-177.5	163.4	0	113.4	F25 F26 I27 C35 Y39 H43 E48	F25-K29 HydrophobicContact CE1-CD 4.32Å; F25-K29 HydrophobicContact CZ-CD 4.21Å; F25-K29 WeakPolarHBondContact O-CB 3.42Å; F25-K29 PolarHBondContact O-N 2.96Å; F25-K29 VanDerWaalsContact O-N 3.14Å; F26-K29 PolarHBondContact O-N 3.4Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.12Å; K29-C35 WeakPolarHBondContact O-CB 3.45Å; K29-Y39 HydrophobicContact CB-CE2 4.3Å; K29-Y39 HydrophobicContact CD-CE1 4.44Å; K29-H43 VanDerWaalsContact CE-C 3.44Å; K29-H43 WeakPolarHBondContact CE-O 3.32Å; K29-H43 PolarHBondContact NZ-O 2.79Å; K29-E48 WeakPolarHBondContact CE-OE2 3.4Å; K29-E48 IonicContact NZ-OE1 3.53Å; K29-E48 PolarHBondContact NZ-OE1 3.19Å; K29-E48 IonicContact NZ-OE2 3.16Å; K29-E48 PolarHBondContact NZ-OE2 3.23Å
30	T	89.3	Confident	92.2	Very high	97 Å²	97	62.1 Å²	62.1	60%	0.595	33%	0.329	S	S	*	.	H	α-helix	trans	-89.5	-34.9	-176.6	-54.4	0	0	0	0	112.6	F26 I27 P32	F26-T30 WeakPolarHBondContact O-CB 3.38Å; F26-T30 PolarHBondContact O-N 2.86Å; F26-T30 PolarHBondContact O-OG1 2.82Å; I27-T30 PolarHBondContact O-N 3.04Å; T30-P32 WeakPolarHBondContact O-CD 3.46Å
31	V	92.6	Very high	91.7	Very high	55 Å²	55	61.5 Å²	61.5	33%	0.333	33%	0.326	S	S	.	.	S	Bend	trans	-77.5	117.4	-179.6	173.8	0	0	0	0	109.2	I27 L33 F34 C35	I27-V31 HydrophobicContact CG2-CG2 3.99Å; I27-V31 WeakPolarHBondContact O-CB 3.25Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.45Å; I27-V31 PolarHBondContact O-N 2.96Å; V31-L33 VanDerWaalsContact C-N 3.27Å; V31-L33 HydrophobicContact CG1-CB 4.35Å; V31-L33 PolarHBondContact O-N 2.96Å; V31-L33 VanDerWaalsContact O-N 3.13Å; V31-F34 HydrophobicContact CB-CD2 3.84Å; V31-F34 HydrophobicContact CG1-CD2 3.59Å; V31-F34 HydrophobicContact CG1-CE2 4.13Å; V31-F34 HydrophobicContact CG1-CG 4.5Å; V31-F34 PolarHBondContact O-N 2.84Å; V31-C35 PolarHBondContact O-N 2.97Å
32	P	89.1	Confident	91.3	Very high	94 Å²	94	63.5 Å²	63.5	61%	0.61	34%	0.341	S	S	*	.	H	α-helix	trans	-55.6	-39	-171.1	-28.6	35.3	0	0	0	114.2	T30 F34 C35 T36	T30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-F34 PolarHBondContact O-N 3.37Å; P32-C35 PolarHBondContact O-N 2.79Å; P32-T36 WeakPolarHBondContact O-CG2 3.35Å; P32-T36 PolarHBondContact O-N 2.83Å; P32-T36 PolarHBondContact O-OG1 3.23Å; P32-T36 VanDerWaalsContact O-OG1 3.08Å
33	L	91.6	Very high	90.8	Very high	134 Å²	134	69.6 Å²	69.6	70%	0.702	37%	0.368	S	S	*	.	H	α-helix	trans	-60.3	-42.8	179.5	-177	68.8	0	0	0	112.7	V31	V31-L33 VanDerWaalsContact C-N 3.27Å; V31-L33 HydrophobicContact CG1-CB 4.35Å; V31-L33 PolarHBondContact O-N 2.96Å; V31-L33 VanDerWaalsContact O-N 3.13Å
34	F	90.6	Very high	90.3	Very high	97 Å²	97	70.2 Å²	70.2	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-80.9	-32.4	178.8	-66.5	-58	0	0	0	111.3	S28 V31 P32 M38	S28-F34 CarbonylContact O-C 3.41Å; S28-F34 WeakPolarHBondContact O-CB 3.41Å; V31-F34 HydrophobicContact CB-CD2 3.84Å; V31-F34 HydrophobicContact CG1-CD2 3.59Å; V31-F34 HydrophobicContact CG1-CE2 4.13Å; V31-F34 HydrophobicContact CG1-CG 4.5Å; V31-F34 PolarHBondContact O-N 2.84Å; P32-F34 PolarHBondContact O-N 3.37Å; F34-M38 HydrophobicContact CB-CE 4.05Å; F34-M38 PolarHBondContact O-N 2.75Å; F34-M38 VanDerWaalsContact O-N 3.16Å
35	C	92.2	Very high	90	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.1	-56.1	-177.7	-179.2	0	0	0	0	111.7	S28 K29 V31 P32 W37 M38 Y39 C42	S28-C35 WeakPolarHBondContact O-CA 3.36Å; S28-C35 PolarHBondContact O-N 2.86Å; S28-C35 VanDerWaalsContact O-N 3.13Å; K29-C35 WeakPolarHBondContact O-CB 3.45Å; V31-C35 PolarHBondContact O-N 2.97Å; P32-C35 PolarHBondContact O-N 2.79Å; C35-W37 PolarHBondContact O-N 3.29Å; C35-W37 VanDerWaalsContact O-N 3.07Å; C35-M38 PolarHBondContact O-N 3.18Å; C35-Y39 PolarHBondContact O-N 3.19Å; C35-Y39 VanDerWaalsContact O-O 3.13Å; C35-C42 HydrophobicContact CB-CB 4.07Å; C35-C42 WeakPolarHBondContact CB-SG 3.49Å; C35-C42 WeakPolarHBondContact SG-CA 3.45Å; C35-C42 WeakPolarHBondContact SG-CB 3.12Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 3.48Å
36	T	90.1	Very high	89.7	Confident	108 Å²	108	77.3 Å²	77.3	66%	0.663	40%	0.404	S	S	*	.	H	α-helix	trans	-62.9	-20.1	-176.6	56	0	0	0	0	113.3	P32	P32-T36 WeakPolarHBondContact O-CG2 3.35Å; P32-T36 PolarHBondContact O-N 2.83Å; P32-T36 PolarHBondContact O-OG1 3.23Å; P32-T36 VanDerWaalsContact O-OG1 3.08Å
37	W	89.9	Confident	89.6	Confident	185 Å²	185	80.7 Å²	80.7	70%	0.701	42%	0.42	S	S	*	.	H	α-helix	trans	-83.9	-34.2	175.8	-176.1	55.9	0	0	0	113.2	C35	C35-W37 PolarHBondContact O-N 3.29Å; C35-W37 VanDerWaalsContact O-N 3.07Å
38	M	88.7	Confident	89.5	Confident	27 Å²	27	78.2 Å²	78.2	13%	0.133	41%	0.407	C	S	.	.	H	α-helix	trans	-110.5	-18.2	-170.5	-65.5	-167.3	-60.8	0	0	115.1	F34 C35 Q91 Y95	F34-M38 HydrophobicContact CB-CE 4.05Å; F34-M38 PolarHBondContact O-N 2.75Å; F34-M38 VanDerWaalsContact O-N 3.16Å; C35-M38 PolarHBondContact O-N 3.18Å; M38-Q91 PolarHBondContact O-NE2 3.21Å; M38-Y95 HydrophobicContact CB-CE2 3.95Å; M38-Y95 HydrophobicContact CG-CE2 4.16Å
39	Y	90.2	Very high	89.3	Confident	10 Å²	10	83.7 Å²	83.7	4%	0.039	43%	0.428	C	S	.	.			trans	-135.5	144.1	-173.3	-50.5	-94.1	0	0	0	110.8	F25 S28 K29 C35 F88 Q91	F25-Y39 AromaticContact CE2-CE1 3.9Å; F25-Y39 HydrophobicContact CE2-CE1 3.9Å; F25-Y39 WeakPolarHBondContact CE2-OH 3.34Å; F25-Y39 HydrophobicContact CZ-CE1 4.34Å; S28-Y39 PolarHBondContact OG-OH 2.91Å; K29-Y39 HydrophobicContact CB-CE2 4.3Å; K29-Y39 HydrophobicContact CD-CE1 4.44Å; C35-Y39 PolarHBondContact O-N 3.19Å; C35-Y39 VanDerWaalsContact O-O 3.13Å; Y39-F88 WeakPolarHBondContact OH-CE1 3.29Å; Y39-Q91 HydrophobicContact CD1-CG 3.78Å; Y39-Q91 HydrophobicContact CE1-CB 4.28Å; Y39-Q91 HydrophobicContact CE1-CG 3.66Å
40	D	85.6	Confident	89.4	Confident	176 Å²	176	88.7 Å²	88.7	94%	0.941	45%	0.451	S	S	*	.	S	Bend	trans	-75.7	-29.1	173.1	-56.7	-46.7	0	0	0	111.8
41	D	86	Confident	89.5	Confident	79 Å²	79	85.6 Å²	85.6	42%	0.422	43%	0.43	S	S	.	.			trans	-130.1	131.1	177.3	-169.1	-15.3	0	0	0	111	H43	D41-H43 WeakPolarHBondContact OD1-CB 3.49Å; D41-H43 IonicContact OD1-CD2 2.69Å; D41-H43 PolarHBondContact OD1-CD2 2.81Å; D41-H43 IonicContact OD1-CG 3.89Å; D41-H43 PolarHBondContact OD1-N 2.97Å
42	C	87.8	Confident	89.4	Confident	56 Å²	56	85.7 Å²	85.7	38%	0.378	43%	0.429	S	S	.	.			trans	-86.3	-5.8	178.5	-58.5	0	0	0	0	114.2	C35	C35-C42 HydrophobicContact CB-CB 4.07Å; C35-C42 WeakPolarHBondContact CB-SG 3.49Å; C35-C42 WeakPolarHBondContact SG-CA 3.45Å; C35-C42 WeakPolarHBondContact SG-CB 3.12Å; C35-C42 CovalentContact SG-SG 2.02Å; C35-C42 PolarHBondContact SG-SG 3.48Å
43	H	87.1	Confident	89.6	Confident	138 Å²	138	86.6 Å²	86.6	64%	0.639	43%	0.427	S	S	*	.	S	Bend	trans	-79.4	136.4	178.2	-67.3	-61.8	0	0	0	112.1	K29 D41 N45	K29-H43 VanDerWaalsContact CE-C 3.44Å; K29-H43 WeakPolarHBondContact CE-O 3.32Å; K29-H43 PolarHBondContact NZ-O 2.79Å; D41-H43 WeakPolarHBondContact OD1-CB 3.49Å; D41-H43 IonicContact OD1-CD2 2.69Å; D41-H43 PolarHBondContact OD1-CD2 2.81Å; D41-H43 IonicContact OD1-CG 3.89Å; D41-H43 PolarHBondContact OD1-N 2.97Å; H43-N45 PolarHBondContact O-N 3Å
44	I	85.7	Confident	89.6	Confident	48 Å²	48	86.8 Å²	86.8	25%	0.246	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-68.7	119.3	175.4	-59.5	177.9	0	0	0	108.5	F26 E48 Y49	F26-I44 HydrophobicContact CD1-CD1 4.26Å; I44-E48 VanDerWaalsContact CA-OE2 3.22Å; I44-E48 WeakPolarHBondContact CA-OE2 3.39Å; I44-E48 HydrophobicContact CG2-CB 3.69Å; I44-E48 WeakPolarHBondContact CG2-OE2 3.46Å; I44-Y49 HydrophobicContact CB-CD2 4.28Å; I44-Y49 HydrophobicContact CB-CE2 3.66Å; I44-Y49 HydrophobicContact CG2-CD1 4.48Å; I44-Y49 HydrophobicContact CG2-CD2 3.6Å; I44-Y49 HydrophobicContact CG2-CE1 4.36Å; I44-Y49 HydrophobicContact CG2-CE2 3.45Å; I44-Y49 VanDerWaalsContact CG2-CE2 3.45Å; I44-Y49 HydrophobicContact CG2-CG 4.13Å
45	N	88.1	Confident	89.6	Confident	79 Å²	79	82.9 Å²	82.9	42%	0.422	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-75.1	157	-177.5	-69.3	-39.8	0	0	0	111	H43 Q47 E48 Y49	H43-N45 PolarHBondContact O-N 3Å; N45-Q47 VanDerWaalsContact C-N 3.27Å; N45-Q47 PolarHBondContact O-N 3.43Å; N45-E48 HydrophobicContact CB-CG 4.06Å; N45-E48 PolarHBondContact N-OE2 3.03Å; N45-E48 WeakPolarHBondContact O-CA 3.16Å; N45-E48 WeakPolarHBondContact O-CB 3.08Å; N45-E48 PolarHBondContact O-N 3.03Å; N45-Y49 PolarHBondContact O-N 3.22Å; N45-Y49 VanDerWaalsContact O-N 3.14Å
46	L	90	Very high	89.6	Confident	127 Å²	127	85 Å²	85	67%	0.665	43%	0.428	S	S	*	.	H	α-helix	trans	-54.6	-43.5	177.7	179.6	61.7	0	0	0	112.3	E48 Y49 E50	L46-E48 PolarHBondContact O-N 2.99Å; L46-Y49 WeakPolarHBondContact O-CB 3.24Å; L46-Y49 PolarHBondContact O-N 3.46Å; L46-Y49 VanDerWaalsContact O-N 3.13Å; L46-E50 WeakPolarHBondContact O-CG 3.48Å; L46-E50 PolarHBondContact O-N 3.2Å
47	Q	89.9	Confident	89.6	Confident	110 Å²	110	82.9 Å²	82.9	51%	0.514	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-29.4	176.7	-64.3	-172.1	0.9	0	0	113	N45 M51 K90	N45-Q47 VanDerWaalsContact C-N 3.27Å; N45-Q47 PolarHBondContact O-N 3.43Å; Q47-M51 VanDerWaalsContact O-CE 3.28Å; Q47-M51 WeakPolarHBondContact O-CE 3.4Å; Q47-M51 PolarHBondContact O-N 3.35Å; Q47-K90 VanDerWaalsContact OE1-NZ 3.09Å
48	E	90.1	Very high	89.5	Confident	16 Å²	16	76.4 Å²	76.4	8%	0.075	39%	0.394	C	S	.	.	H	α-helix	trans	-75.6	-39.9	178.8	-58.5	172.1	170	0	0	110.7	F25 K29 I44 N45 L46 M51 L52 M87	F25-E48 HydrophobicContact CE1-CG 4.47Å; K29-E48 WeakPolarHBondContact CE-OE2 3.4Å; K29-E48 IonicContact NZ-OE1 3.53Å; K29-E48 PolarHBondContact NZ-OE1 3.19Å; K29-E48 IonicContact NZ-OE2 3.16Å; K29-E48 PolarHBondContact NZ-OE2 3.23Å; I44-E48 VanDerWaalsContact CA-OE2 3.22Å; I44-E48 WeakPolarHBondContact CA-OE2 3.39Å; I44-E48 HydrophobicContact CG2-CB 3.69Å; I44-E48 WeakPolarHBondContact CG2-OE2 3.46Å; N45-E48 HydrophobicContact CB-CG 4.06Å; N45-E48 PolarHBondContact N-OE2 3.03Å; N45-E48 WeakPolarHBondContact O-CA 3.16Å; N45-E48 WeakPolarHBondContact O-CB 3.08Å; N45-E48 PolarHBondContact O-N 3.03Å; L46-E48 PolarHBondContact O-N 2.99Å; E48-M51 PolarHBondContact O-N 3.32Å; E48-L52 PolarHBondContact O-N 3.07Å; E48-L52 VanDerWaalsContact O-N 3.12Å; E48-M87 HydrophobicContact CB-CE 3.97Å; E48-M87 HydrophobicContact CB-SD 3.94Å; E48-M87 HydrophobicContact CG-CE 4.38Å; E48-M87 HydrophobicContact CG-SD 3.69Å; E48-M87 WeakPolarHBondContact O-CE 3.13Å
49	Y	90	Very high	89.5	Confident	118 Å²	118	75.7 Å²	75.7	46%	0.463	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-42.5	169.5	-80.1	-70.7	0	0	0	112.5	I44 N45 L46 M51 L52 I53	I44-Y49 HydrophobicContact CB-CD2 4.28Å; I44-Y49 HydrophobicContact CB-CE2 3.66Å; I44-Y49 HydrophobicContact CG2-CD1 4.48Å; I44-Y49 HydrophobicContact CG2-CD2 3.6Å; I44-Y49 HydrophobicContact CG2-CE1 4.36Å; I44-Y49 HydrophobicContact CG2-CE2 3.45Å; I44-Y49 VanDerWaalsContact CG2-CE2 3.45Å; I44-Y49 HydrophobicContact CG2-CG 4.13Å; N45-Y49 PolarHBondContact O-N 3.22Å; N45-Y49 VanDerWaalsContact O-N 3.14Å; L46-Y49 WeakPolarHBondContact O-CB 3.24Å; L46-Y49 PolarHBondContact O-N 3.46Å; L46-Y49 VanDerWaalsContact O-N 3.13Å; Y49-M51 VanDerWaalsContact C-N 3.3Å; Y49-M51 PolarHBondContact O-N 3.33Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.92Å; Y49-L52 VanDerWaalsContact O-N 3.13Å; Y49-I53 VanDerWaalsContact O-CG1 3.32Å; Y49-I53 WeakPolarHBondContact O-CG1 3.36Å; Y49-I53 PolarHBondContact O-N 3.03Å
50	E	93.8	Very high	89.2	Confident	109 Å²	109	78.1 Å²	78.1	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-42.5	177.2	-72.6	172.8	170.8	0	0	111.9	L46 I53 F54	L46-E50 WeakPolarHBondContact O-CG 3.48Å; L46-E50 PolarHBondContact O-N 3.2Å; E50-I53 PolarHBondContact O-N 2.94Å; E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3.1Å
51	M	91.3	Very high	89.1	Confident	32 Å²	32	76 Å²	76	16%	0.158	40%	0.401	C	S	.	.	H	α-helix	trans	-66.6	-35.2	176.2	-78.2	-174.3	-85.5	0	0	112.8	Q47 E48 Y49 F54 L55 V83 M87 K90	Q47-M51 VanDerWaalsContact O-CE 3.28Å; Q47-M51 WeakPolarHBondContact O-CE 3.4Å; Q47-M51 PolarHBondContact O-N 3.35Å; E48-M51 PolarHBondContact O-N 3.32Å; Y49-M51 VanDerWaalsContact C-N 3.3Å; Y49-M51 PolarHBondContact O-N 3.33Å; M51-F54 PolarHBondContact O-N 3.39Å; M51-L55 WeakPolarHBondContact O-CB 3.35Å; M51-L55 PolarHBondContact O-N 3.33Å; M51-V83 HydrophobicContact CB-CG1 4.08Å; M51-M87 HydrophobicContact CB-CE 3.38Å; M51-M87 HydrophobicContact CE-CE 3.45Å; M51-M87 VanDerWaalsContact CE-CE 3.45Å; M51-M87 HydrophobicContact CE-CG 4.15Å; M51-M87 HydrophobicContact CE-SD 3.14Å; M51-M87 WeakPolarHBondContact CE-SD 3.15Å; M51-M87 HydrophobicContact CG-CE 4.09Å; M51-M87 HydrophobicContact SD-CE 3.73Å; M51-M87 HydrophobicContact SD-CG 4.2Å; M51-M87 HydrophobicContact SD-SD 3.88Å; M51-K90 HydrophobicContact CE-CD 4.18Å
52	L	89.9	Confident	88.8	Confident	57 Å²	57	77.8 Å²	77.8	30%	0.298	40%	0.402	S	S	.	.	H	α-helix	trans	-66.8	-42.1	172.6	-77.7	178.8	0	0	0	112.4	F26 E48 Y49 F54 L55 G56	F26-L52 HydrophobicContact CD1-CD1 4.41Å; F26-L52 HydrophobicContact CE1-CD1 3.58Å; F26-L52 HydrophobicContact CE1-CD2 4.16Å; F26-L52 HydrophobicContact CE1-CG 3.95Å; F26-L52 HydrophobicContact CE2-CD1 4.44Å; F26-L52 HydrophobicContact CE2-CD2 3.54Å; F26-L52 HydrophobicContact CE2-CG 4.23Å; F26-L52 HydrophobicContact CZ-CD1 3.61Å; F26-L52 HydrophobicContact CZ-CD2 3.29Å; F26-L52 HydrophobicContact CZ-CG 3.46Å; F26-L52 VanDerWaalsContact CZ-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.07Å; E48-L52 VanDerWaalsContact O-N 3.12Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.92Å; Y49-L52 VanDerWaalsContact O-N 3.13Å; L52-F54 VanDerWaalsContact C-N 3.3Å; L52-F54 PolarHBondContact O-N 3.4Å; L52-L55 WeakPolarHBondContact O-CB 3.32Å; L52-L55 PolarHBondContact O-N 3.32Å; L52-G56 PolarHBondContact O-N 3.42Å
53	I	92	Very high	88.1	Confident	112 Å²	112	78.9 Å²	78.9	57%	0.574	40%	0.404	S	S	*	.	H	α-helix	trans	-63.2	-41.6	175.6	-67.5	165.1	0	0	0	109.9	Y49 E50 G56 S57	Y49-I53 VanDerWaalsContact O-CG1 3.32Å; Y49-I53 WeakPolarHBondContact O-CG1 3.36Å; Y49-I53 PolarHBondContact O-N 3.03Å; E50-I53 PolarHBondContact O-N 2.94Å; I53-G56 PolarHBondContact O-N 3.04Å; I53-S57 VanDerWaalsContact O-CB 3.31Å; I53-S57 WeakPolarHBondContact O-CB 3.25Å; I53-S57 PolarHBondContact O-N 2.97Å; I53-S57 PolarHBondContact O-OG 3.33Å
54	F	92.6	Very high	87.1	Confident	139 Å²	139	80.1 Å²	80.1	61%	0.61	41%	0.408	S	S	*	.	H	α-helix	trans	-61.3	-46.7	174.3	-179.8	-99.2	0	0	0	111.6	E50 M51 L52 G56 S57 F58	E50-F54 WeakPolarHBondContact O-CB 3.45Å; E50-F54 PolarHBondContact O-N 3.1Å; M51-F54 PolarHBondContact O-N 3.39Å; L52-F54 VanDerWaalsContact C-N 3.3Å; L52-F54 PolarHBondContact O-N 3.4Å; F54-G56 PolarHBondContact O-N 3.21Å; F54-S57 PolarHBondContact O-N 2.9Å; F54-F58 HydrophobicContact CZ-CD2 4.41Å; F54-F58 WeakPolarHBondContact O-CB 3.18Å; F54-F58 PolarHBondContact O-N 2.63Å
55	L	91.5	Very high	86.3	Confident	15 Å²	15	85.8 Å²	85.8	8%	0.079	43%	0.426	C	S	.	.	H	α-helix	trans	-56.8	-50.8	175	178	62.4	0	0	0	111.5	M51 L52 S57 F58 V59 F79 A80 V83	M51-L55 WeakPolarHBondContact O-CB 3.35Å; M51-L55 PolarHBondContact O-N 3.33Å; L52-L55 WeakPolarHBondContact O-CB 3.32Å; L52-L55 PolarHBondContact O-N 3.32Å; L55-S57 PolarHBondContact O-N 2.92Å; L55-F58 PolarHBondContact O-N 3.5Å; L55-V59 HydrophobicContact CD1-CG2 3.96Å; L55-V59 HydrophobicContact CG-CG2 4.46Å; L55-V59 WeakPolarHBondContact O-CB 3.39Å; L55-V59 VanDerWaalsContact O-CG2 3.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 2.93Å; L55-F79 HydrophobicContact CD1-CB 3.54Å; L55-A80 HydrophobicContact CD2-CB 3.94Å; L55-V83 HydrophobicContact CB-CG2 4.21Å; L55-V83 HydrophobicContact CD1-CG2 4.27Å
56	G	90.5	Very high	85.8	Confident	44 Å²	44	83.2 Å²	83.2	45%	0.454	41%	0.412	S	S	.	.	H	α-helix	trans	-59.2	-46.8	179.3	0	0	0	0	0	112.2	L52 I53 F54 A60	L52-G56 PolarHBondContact O-N 3.42Å; I53-G56 PolarHBondContact O-N 3.04Å; F54-G56 PolarHBondContact O-N 3.21Å; G56-A60 WeakPolarHBondContact O-CB 3.43Å; G56-A60 PolarHBondContact O-N 2.83Å
57	S	90.3	Very high	85.3	Confident	63 Å²	63	78.4 Å²	78.4	44%	0.441	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-45.5	177.1	-58.9	0	0	0	0	111.7	I53 F54 L55 A60 L61	I53-S57 VanDerWaalsContact O-CB 3.31Å; I53-S57 WeakPolarHBondContact O-CB 3.25Å; I53-S57 PolarHBondContact O-N 2.97Å; I53-S57 PolarHBondContact O-OG 3.33Å; F54-S57 PolarHBondContact O-N 2.9Å; L55-S57 PolarHBondContact O-N 2.92Å; S57-A60 PolarHBondContact O-N 2.79Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 2.84Å
58	F	88.4	Confident	84.9	Confident	50 Å²	50	74.9 Å²	74.9	22%	0.219	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-44.4	-178.9	-171.8	-90.1	0	0	0	112	F54 L55 A60 L61 R62 F79	F54-F58 HydrophobicContact CZ-CD2 4.41Å; F54-F58 WeakPolarHBondContact O-CB 3.18Å; F54-F58 PolarHBondContact O-N 2.63Å; L55-F58 PolarHBondContact O-N 3.5Å; F58-A60 VanDerWaalsContact C-N 3.34Å; F58-A60 PolarHBondContact O-N 2.93Å; F58-L61 PolarHBondContact O-N 2.8Å; F58-R62 HydrophobicContact CD1-CG 4.02Å; F58-R62 HydrophobicContact CE1-CG 3.63Å; F58-R62 HydrophobicContact CZ-CG 4.06Å; F58-R62 WeakPolarHBondContact O-CG 3.44Å; F58-R62 PolarHBondContact O-N 3.01Å; F58-F79 HydrophobicContact CD1-CD1 4.11Å; F58-F79 HydrophobicContact CD1-CD2 4.18Å; F58-F79 HydrophobicContact CD1-CE1 4.22Å; F58-F79 HydrophobicContact CD1-CE2 4.31Å; F58-F79 HydrophobicContact CD1-CG 4.13Å; F58-F79 HydrophobicContact CD1-CZ 4.36Å; F58-F79 AromaticContact CE1-CD1 3.73Å; F58-F79 HydrophobicContact CE1-CD1 3.73Å; F58-F79 HydrophobicContact CE1-CD2 4.02Å; F58-F79 AromaticContact CE1-CE1 3.38Å; F58-F79 HydrophobicContact CE1-CE1 3.38Å; F58-F79 AromaticContact CE1-CE2 3.72Å; F58-F79 HydrophobicContact CE1-CE2 3.72Å; F58-F79 HydrophobicContact CE1-CG 4.07Å; F58-F79 AromaticContact CE1-CZ 3.43Å; F58-F79 HydrophobicContact CE1-CZ 3.43Å; F58-F79 VanDerWaalsContact CE1-CZ 3.43Å; F58-F79 HydrophobicContact CZ-CE1 4.02Å; F58-F79 HydrophobicContact CZ-CZ 4.18Å
59	V	88	Confident	84.7	Confident	11 Å²	11	77.9 Å²	77.9	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-42.8	175.8	170	0	0	0	0	110.5	L55 L61 R62 N63 Y72 F76	L55-V59 HydrophobicContact CD1-CG2 3.96Å; L55-V59 HydrophobicContact CG-CG2 4.46Å; L55-V59 WeakPolarHBondContact O-CB 3.39Å; L55-V59 VanDerWaalsContact O-CG2 3.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.41Å; L55-V59 PolarHBondContact O-N 2.93Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.91Å; V59-R62 PolarHBondContact O-N 2.88Å; V59-R62 VanDerWaalsContact O-N 3.16Å; V59-N63 WeakPolarHBondContact O-CB 3.34Å; V59-N63 PolarHBondContact O-N 3.4Å; V59-Y72 HydrophobicContact CG1-CE2 3.63Å; V59-Y72 WeakPolarHBondContact CG1-OH 3.31Å; V59-F76 HydrophobicContact CG1-CD2 4.13Å; V59-F76 HydrophobicContact CG2-CD2 3.97Å
60	A	84.9	Confident	84.5	Confident	62 Å²	62	72.7 Å²	72.7	51%	0.512	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-41.3	176.5	0	0	0	0	0	112.3	G56 S57 F58	G56-A60 WeakPolarHBondContact O-CB 3.43Å; G56-A60 PolarHBondContact O-N 2.83Å; S57-A60 PolarHBondContact O-N 2.79Å; F58-A60 VanDerWaalsContact C-N 3.34Å; F58-A60 PolarHBondContact O-N 2.93Å
61	L	84	Confident	84.1	Confident	131 Å²	131	68.6 Å²	68.6	69%	0.686	35%	0.354	S	S	*	.	H	α-helix	trans	-64.4	-39.6	175.2	-71.9	169.5	0	0	0	112.4	S57 F58 V59	S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 2.84Å; F58-L61 PolarHBondContact O-N 2.8Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.91Å
62	R	79.8	Confident	84	Confident	117 Å²	117	70.5 Å²	70.5	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-80.7	-22.2	-178.8	-63.9	-62.8	-177.7	175.4	-0.5	113.7	F58 V59 K64	F58-R62 HydrophobicContact CD1-CG 4.02Å; F58-R62 HydrophobicContact CE1-CG 3.63Å; F58-R62 HydrophobicContact CZ-CG 4.06Å; F58-R62 WeakPolarHBondContact O-CG 3.44Å; F58-R62 PolarHBondContact O-N 3.01Å; V59-R62 PolarHBondContact O-N 2.88Å; V59-R62 VanDerWaalsContact O-N 3.16Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.11Å
63	N	72.5	Confident	84	Confident	78 Å²	78	69.3 Å²	69.3	42%	0.417	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-32.1	-177.5	-169.4	21.5	0	0	0	113.3	V59 R65 Q66 Y72	V59-N63 WeakPolarHBondContact O-CB 3.34Å; V59-N63 PolarHBondContact O-N 3.4Å; N63-R65 PolarHBondContact O-N 2.65Å; N63-Q66 PolarHBondContact O-N 3.32Å; N63-Y72 HydrophobicContact CB-CD2 4.18Å; N63-Y72 HydrophobicContact CB-CE2 3.9Å; N63-Y72 WeakPolarHBondContact OD1-CD2 3.38Å; N63-Y72 WeakPolarHBondContact OD1-CE2 3.47Å
64	K	66.1	Low	83.9	Confident	165 Å²	165	64.4 Å²	64.4	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	7.7	-178.2	-67.7	-170.1	177.9	-177.8	0	115.7	R62 K229	R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.11Å; K64-K229 PolarHBondContact O-NZ 3.01Å
65	R	69.3	Low	83.8	Confident	167 Å²	167	60.7 Å²	60.7	63%	0.63	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	1.5	-173.9	-59.5	-173.4	-178.1	-178.6	0	114.5	N63	N63-R65 PolarHBondContact O-N 2.65Å
66	Q	77.4	Confident	83.9	Confident	25 Å²	25	63.2 Å²	63.2	12%	0.117	33%	0.325	C	S	.	.			trans	-88.1	143.3	-177.4	-55.9	-56.8	-23.5	0	0	111.7	N63 H75	N63-Q66 PolarHBondContact O-N 3.32Å; Q66-H75 PolarHBondContact NE2-NE2 2.96Å; Q66-H75 PolarHBondContact OE1-CE1 2.91Å
67	F	78.3	Confident	84.1	Confident	26 Å²	26	62.1 Å²	62.1	11%	0.114	31%	0.308	C	S	.	.	S	Bend	trans	-92	-27.8	-175.3	-67.9	11.7	0	0	0	111.5	A153 K156 L157 I160 F232	F67-A153 WeakPolarHBondContact CE2-O 3.41Å; F67-A153 HydrophobicContact CZ-CB 4.24Å; F67-K156 HydrophobicContact CD2-CB 3.62Å; F67-K156 HydrophobicContact CE2-CB 3.82Å; F67-K156 HydrophobicContact CG-CB 4.27Å; F67-L157 HydrophobicContact CE2-CB 4.32Å; F67-I160 HydrophobicContact CB-CD1 3.61Å; F67-I160 HydrophobicContact CD2-CD1 4.38Å; F67-F232 HydrophobicContact CD2-CB 3.97Å; F67-F232 HydrophobicContact CE2-CB 3.82Å; F67-F232 HydrophobicContact CE2-CD2 4.31Å; F67-F232 HydrophobicContact CE2-CG 4.47Å; F67-F232 HydrophobicContact CG-CB 4.45Å; F67-F232 HydrophobicContact CZ-CB 4.18Å; F67-F232 HydrophobicContact CZ-CD2 4.08Å
68	S	83.3	Confident	84.2	Confident	35 Å²	35	62.7 Å²	62.7	25%	0.245	30%	0.304	C	S	.	.	S	Bend	trans	-139.4	158.5	-175.6	79	0	0	0	0	112	D71 Y72	S68-D71 PolarHBondContact O-N 3.02Å; S68-D71 WeakPolarHBondContact OG-CB 3.36Å; S68-D71 PolarHBondContact OG-N 3.27Å; S68-D71 PolarHBondContact OG-OD2 2.88Å; S68-Y72 PolarHBondContact O-N 3.45Å; S68-Y72 VanDerWaalsContact O-N 3.15Å
69	V	84.4	Confident	84.5	Confident	79 Å²	79	62.2 Å²	62.2	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-43.8	174.4	175.7	0	0	0	0	112.1	D71 Y72 L73	V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 2.98Å; V69-Y72 WeakPolarHBondContact O-CB 3.5Å; V69-Y72 PolarHBondContact O-N 3.08Å; V69-L73 HydrophobicContact CG1-CD1 4.19Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 PolarHBondContact O-N 2.64Å
70	P	86.9	Confident	84.9	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-53.2	-45.5	172.9	-30.6	37.4	0	0	0	113.6	L9 F15 Y72 L73 A74	L9-P70 HydrophobicContact CD2-CB 4.12Å; L9-P70 HydrophobicContact CD2-CG 3.45Å; L9-P70 VanDerWaalsContact CD2-CG 3.45Å; L9-P70 HydrophobicContact CG-CG 4.37Å; F15-P70 HydrophobicContact CE1-CB 4.33Å; F15-P70 HydrophobicContact CZ-CB 3.87Å; P70-Y72 VanDerWaalsContact C-N 3.35Å; P70-Y72 PolarHBondContact O-N 3.36Å; P70-L73 PolarHBondContact O-N 2.76Å; P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 3.44Å
71	D	85.6	Confident	85.5	Confident	24 Å²	24	59.4 Å²	59.4	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-41.7	178.7	-64.8	-36.6	0	0	0	111.3	S68 V69 L73 A74 H75 Q112	S68-D71 PolarHBondContact O-N 3.02Å; S68-D71 WeakPolarHBondContact OG-CB 3.36Å; S68-D71 PolarHBondContact OG-N 3.27Å; S68-D71 PolarHBondContact OG-OD2 2.88Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 2.98Å; D71-L73 PolarHBondContact O-N 2.75Å; D71-A74 PolarHBondContact O-N 2.67Å; D71-H75 PolarHBondContact O-N 3.11Å; D71-H75 VanDerWaalsContact O-N 3.1Å; D71-H75 PolarHBondContact O-ND1 3.44Å; D71-Q112 PolarHBondContact OD1-NE2 3.3Å; D71-Q112 VanDerWaalsContact OD1-NE2 3.09Å
72	Y	87.7	Confident	86	Confident	71 Å²	71	56.1 Å²	56.1	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-57.5	-49.4	174.7	168.6	-98.5	0	0	0	111.7	V59 N63 S68 V69 P70 A74 H75 F76	V59-Y72 HydrophobicContact CG1-CE2 3.63Å; V59-Y72 WeakPolarHBondContact CG1-OH 3.31Å; N63-Y72 HydrophobicContact CB-CD2 4.18Å; N63-Y72 HydrophobicContact CB-CE2 3.9Å; N63-Y72 WeakPolarHBondContact OD1-CD2 3.38Å; N63-Y72 WeakPolarHBondContact OD1-CE2 3.47Å; S68-Y72 PolarHBondContact O-N 3.45Å; S68-Y72 VanDerWaalsContact O-N 3.15Å; V69-Y72 WeakPolarHBondContact O-CB 3.5Å; V69-Y72 PolarHBondContact O-N 3.08Å; P70-Y72 VanDerWaalsContact C-N 3.35Å; P70-Y72 PolarHBondContact O-N 3.36Å; Y72-A74 PolarHBondContact O-N 3.16Å; Y72-H75 PolarHBondContact O-N 3.46Å; Y72-F76 PolarHBondContact O-N 3.11Å
73	L	90.2	Very high	86.8	Confident	32 Å²	32	51.1 Å²	51.1	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-40.3	179.5	-72.7	174.2	0	0	0	112.2	L10 F15 V69 P70 D71 H75 F76 Y77	L10-L73 HydrophobicContact CD1-CD1 4.28Å; L10-L73 HydrophobicContact CD2-CD1 3.32Å; L10-L73 HydrophobicContact CG-CD1 4.41Å; F15-L73 HydrophobicContact CD1-CB 4.26Å; F15-L73 HydrophobicContact CD1-CD1 4.31Å; F15-L73 HydrophobicContact CE1-CB 4.18Å; V69-L73 HydrophobicContact CG1-CD1 4.19Å; V69-L73 HydrophobicContact CG1-CG 4.46Å; V69-L73 PolarHBondContact O-N 2.64Å; P70-L73 PolarHBondContact O-N 2.76Å; D71-L73 PolarHBondContact O-N 2.75Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.26Å; L73-F76 PolarHBondContact O-N 2.97Å; L73-Y77 HydrophobicContact CB-CD2 4.39Å; L73-Y77 HydrophobicContact CB-CE2 3.97Å; L73-Y77 WeakPolarHBondContact O-CB 3.18Å; L73-Y77 WeakPolarHBondContact O-CD2 3.46Å; L73-Y77 VanDerWaalsContact O-CG 3.25Å; L73-Y77 PolarHBondContact O-N 3.44Å
74	A	90.6	Very high	87.9	Confident	10 Å²	10	47.5 Å²	47.5	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-42.4	175.5	0	0	0	0	0	111.9	P70 D71 Y72 M78 Q112	P70-A74 WeakPolarHBondContact O-CB 3.49Å; P70-A74 PolarHBondContact O-N 3.44Å; D71-A74 PolarHBondContact O-N 2.67Å; Y72-A74 PolarHBondContact O-N 3.16Å; A74-M78 WeakPolarHBondContact O-CB 3.35Å; A74-M78 PolarHBondContact O-N 3.39Å; A74-Q112 VanDerWaalsContact CB-OE1 3.22Å
75	H	90.3	Very high	89.4	Confident	61 Å²	61	41.8 Å²	41.8	28%	0.282	20%	0.201	S	C	.	.	H	α-helix	trans	-67.5	-44.6	174.9	-70.6	72.6	0	0	0	111.5	Q66 D71 Y72 L73 Y77 M78 F79	Q66-H75 PolarHBondContact NE2-NE2 2.96Å; Q66-H75 PolarHBondContact OE1-CE1 2.91Å; D71-H75 PolarHBondContact O-N 3.11Å; D71-H75 VanDerWaalsContact O-N 3.1Å; D71-H75 PolarHBondContact O-ND1 3.44Å; Y72-H75 PolarHBondContact O-N 3.46Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.26Å; H75-Y77 PolarHBondContact O-N 3.37Å; H75-M78 WeakPolarHBondContact O-CB 3.42Å; H75-M78 PolarHBondContact O-N 2.96Å; H75-F79 HydrophobicContact CB-CE2 4.25Å; H75-F79 WeakPolarHBondContact O-CD2 3.32Å; H75-F79 PolarHBondContact O-N 3.35Å
76	F	92.7	Very high	90.6	Very high	68 Å²	68	38.2 Å²	38.2	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-55.6	-51.2	176.6	171.3	-99	0	0	0	111	V59 Y72 L73 M78 F79 A80	V59-F76 HydrophobicContact CG1-CD2 4.13Å; V59-F76 HydrophobicContact CG2-CD2 3.97Å; Y72-F76 PolarHBondContact O-N 3.11Å; L73-F76 PolarHBondContact O-N 2.97Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 3.13Å; F76-F79 PolarHBondContact O-N 2.97Å; F76-A80 VanDerWaalsContact O-CB 3.28Å; F76-A80 WeakPolarHBondContact O-CB 3.45Å; F76-A80 PolarHBondContact O-N 3.33Å
77	Y	95.2	Very high	91.4	Very high	21 Å²	21	37.1 Å²	37.1	8%	0.082	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-38.7	178.4	-62.4	-40.4	0	0	0	112.3	F15 N18 M19 S22 L73 H75 F79 A80 K81	F15-Y77 HydrophobicContact CB-CE2 4.48Å; F15-Y77 AromaticContact CD1-CE2 3.95Å; F15-Y77 HydrophobicContact CD1-CE2 3.95Å; N18-Y77 HydrophobicContact CB-CD2 3.53Å; N18-Y77 HydrophobicContact CB-CE2 4.11Å; N18-Y77 HydrophobicContact CB-CG 3.8Å; M19-Y77 HydrophobicContact CB-CE1 3.89Å; M19-Y77 HydrophobicContact CG-CE1 4.29Å; S22-Y77 WeakPolarHBondContact OG-CA 3.37Å; S22-Y77 WeakPolarHBondContact OG-CD1 3.29Å; S22-Y77 PolarHBondContact OG-O 3.24Å; L73-Y77 HydrophobicContact CB-CD2 4.39Å; L73-Y77 HydrophobicContact CB-CE2 3.97Å; L73-Y77 WeakPolarHBondContact O-CB 3.18Å; L73-Y77 WeakPolarHBondContact O-CD2 3.46Å; L73-Y77 VanDerWaalsContact O-CG 3.25Å; L73-Y77 PolarHBondContact O-N 3.44Å; H75-Y77 PolarHBondContact O-N 3.37Å; Y77-F79 PolarHBondContact O-N 3Å; Y77-A80 PolarHBondContact O-N 3.42Å; Y77-K81 WeakPolarHBondContact O-CB 3.37Å; Y77-K81 WeakPolarHBondContact O-CE 3.34Å; Y77-K81 WeakPolarHBondContact O-CG 3.18Å; Y77-K81 PolarHBondContact O-N 3.33Å
78	M	93.7	Very high	92.3	Very high	74 Å²	74	36.3 Å²	36.3	37%	0.365	19%	0.185	S	C	.	.	H	α-helix	trans	-58.1	-50.3	175.3	-168.6	-155.7	94.5	0	0	111.4	A74 H75 F76 K81 I82	A74-M78 WeakPolarHBondContact O-CB 3.35Å; A74-M78 PolarHBondContact O-N 3.39Å; H75-M78 WeakPolarHBondContact O-CB 3.42Å; H75-M78 PolarHBondContact O-N 2.96Å; F76-M78 VanDerWaalsContact C-N 3.33Å; F76-M78 PolarHBondContact O-N 3.13Å; M78-K81 PolarHBondContact O-N 3.09Å; M78-I82 HydrophobicContact CE-CD1 3.75Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 3.5Å; M78-I82 VanDerWaalsContact O-N 3.12Å
79	F	93.9	Very high	92.8	Very high	41 Å²	41	42.7 Å²	42.7	18%	0.18	20%	0.204	C	C	.	.	H	α-helix	trans	-70.3	-37.4	-180	-67	-62.7	0	0	0	112.5	L55 F58 H75 F76 Y77 K81 I82 V83	L55-F79 HydrophobicContact CD1-CB 3.54Å; F58-F79 HydrophobicContact CD1-CD1 4.11Å; F58-F79 HydrophobicContact CD1-CD2 4.18Å; F58-F79 HydrophobicContact CD1-CE1 4.22Å; F58-F79 HydrophobicContact CD1-CE2 4.31Å; F58-F79 HydrophobicContact CD1-CG 4.13Å; F58-F79 HydrophobicContact CD1-CZ 4.36Å; F58-F79 AromaticContact CE1-CD1 3.73Å; F58-F79 HydrophobicContact CE1-CD1 3.73Å; F58-F79 HydrophobicContact CE1-CD2 4.02Å; F58-F79 AromaticContact CE1-CE1 3.38Å; F58-F79 HydrophobicContact CE1-CE1 3.38Å; F58-F79 AromaticContact CE1-CE2 3.72Å; F58-F79 HydrophobicContact CE1-CE2 3.72Å; F58-F79 HydrophobicContact CE1-CG 4.07Å; F58-F79 AromaticContact CE1-CZ 3.43Å; F58-F79 HydrophobicContact CE1-CZ 3.43Å; F58-F79 VanDerWaalsContact CE1-CZ 3.43Å; F58-F79 HydrophobicContact CZ-CE1 4.02Å; F58-F79 HydrophobicContact CZ-CZ 4.18Å; H75-F79 HydrophobicContact CB-CE2 4.25Å; H75-F79 WeakPolarHBondContact O-CD2 3.32Å; H75-F79 PolarHBondContact O-N 3.35Å; F76-F79 PolarHBondContact O-N 2.97Å; Y77-F79 PolarHBondContact O-N 3Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.77Å; F79-I82 HydrophobicContact CD1-CD1 4.2Å; F79-I82 WeakPolarHBondContact O-CB 3.48Å; F79-I82 PolarHBondContact O-N 3.48Å; F79-V83 PolarHBondContact O-N 3.42Å
80	A	95.9	Very high	93.2	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-43.2	175.2	0	0	0	0	0	111.2	L55 F76 Y77 I82 V83 S84	L55-A80 HydrophobicContact CD2-CB 3.94Å; F76-A80 VanDerWaalsContact O-CB 3.28Å; F76-A80 WeakPolarHBondContact O-CB 3.45Å; F76-A80 PolarHBondContact O-N 3.33Å; Y77-A80 PolarHBondContact O-N 3.42Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.89Å; A80-V83 PolarHBondContact O-N 3.31Å; A80-V83 VanDerWaalsContact O-N 3.14Å; A80-S84 PolarHBondContact O-N 3.03Å; A80-S84 PolarHBondContact O-OG 2.99Å; A80-S84 VanDerWaalsContact O-OG 3.09Å
81	K	97.4	Very high	93.4	Very high	9 Å²	9	48 Å²	48	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-35.3	175.3	-69.6	-177	-60.6	-174	0	112.8	N18 L21 Y77 M78 F79 S84 L85 Y99 W103	N18-K81 WeakPolarHBondContact OD1-CE 3.27Å; N18-K81 PolarHBondContact OD1-NZ 2.93Å; L21-K81 HydrophobicContact CB-CD 3.99Å; L21-K81 HydrophobicContact CB-CG 4.23Å; L21-K81 HydrophobicContact CD1-CD 4.36Å; Y77-K81 WeakPolarHBondContact O-CB 3.37Å; Y77-K81 WeakPolarHBondContact O-CE 3.34Å; Y77-K81 WeakPolarHBondContact O-CG 3.18Å; Y77-K81 PolarHBondContact O-N 3.33Å; M78-K81 PolarHBondContact O-N 3.09Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.77Å; K81-S84 PolarHBondContact O-N 2.8Å; K81-L85 WeakPolarHBondContact O-CB 3.47Å; K81-L85 PolarHBondContact O-N 2.91Å; K81-Y99 WeakPolarHBondContact CA-OH 3.5Å; K81-Y99 HydrophobicContact CB-CE1 4.49Å; K81-Y99 WeakPolarHBondContact CB-OH 3.48Å; K81-Y99 WeakPolarHBondContact CG-OH 3.29Å; K81-Y99 WeakPolarHBondContact O-CE1 3.34Å; K81-W103 HydrophobicContact CB-CD2 3.99Å; K81-W103 HydrophobicContact CB-CE3 4.09Å; K81-W103 HydrophobicContact CB-CH2 4.28Å; K81-W103 HydrophobicContact CB-CZ2 4.16Å; K81-W103 HydrophobicContact CB-CZ3 4.23Å; K81-W103 HydrophobicContact CD-CD2 4.21Å; K81-W103 HydrophobicContact CD-CG 4.03Å; K81-W103 VanDerWaalsContact NZ-CD1 3.26Å
82	I	95.9	Very high	93.9	Very high	63 Å²	63	49.9 Å²	49.9	32%	0.323	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-46.7	171.7	-68.2	168.5	0	0	0	110.3	M78 F79 A80 L85 L86 W103	M78-I82 HydrophobicContact CE-CD1 3.75Å; M78-I82 WeakPolarHBondContact O-CG1 3.29Å; M78-I82 PolarHBondContact O-N 3.5Å; M78-I82 VanDerWaalsContact O-N 3.12Å; F79-I82 HydrophobicContact CD1-CD1 4.2Å; F79-I82 WeakPolarHBondContact O-CB 3.48Å; F79-I82 PolarHBondContact O-N 3.48Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.89Å; I82-L85 PolarHBondContact O-N 2.95Å; I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3Å; I82-W103 HydrophobicContact CD1-CH2 4.46Å; I82-W103 HydrophobicContact CG1-CH2 3.5Å; I82-W103 HydrophobicContact CG1-CZ2 4.48Å; I82-W103 HydrophobicContact CG1-CZ3 4.12Å
83	V	95.4	Very high	94.3	Very high	12 Å²	12	50.1 Å²	50.1	7%	0.073	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-46	178	172.4	0	0	0	0	110.9	M51 L55 F79 A80 L85 L86 M87	M51-V83 HydrophobicContact CB-CG1 4.08Å; L55-V83 HydrophobicContact CB-CG2 4.21Å; L55-V83 HydrophobicContact CD1-CG2 4.27Å; F79-V83 PolarHBondContact O-N 3.42Å; A80-V83 PolarHBondContact O-N 3.31Å; A80-V83 VanDerWaalsContact O-N 3.14Å; V83-L85 VanDerWaalsContact C-N 3.29Å; V83-L85 PolarHBondContact O-N 3.06Å; V83-L86 PolarHBondContact O-N 3.03Å; V83-M87 HydrophobicContact CG1-CE 3.78Å; V83-M87 HydrophobicContact CG1-CG 4.17Å; V83-M87 WeakPolarHBondContact O-CB 3.17Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.64Å
84	S	95.8	Very high	94.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-57.1	-41.7	175	-56.6	0	0	0	0	112.3	S22 A80 K81 M87 F88 Y99	S22-S84 PolarHBondContact O-OG 2.9Å; A80-S84 PolarHBondContact O-N 3.03Å; A80-S84 PolarHBondContact O-OG 2.99Å; A80-S84 VanDerWaalsContact O-OG 3.09Å; K81-S84 PolarHBondContact O-N 2.8Å; S84-M87 WeakPolarHBondContact O-CB 3.41Å; S84-M87 PolarHBondContact O-N 3.39Å; S84-F88 WeakPolarHBondContact O-CD2 3.18Å; S84-F88 PolarHBondContact O-N 3.09Å; S84-Y99 WeakPolarHBondContact CB-OH 3.38Å
85	L	97.5	Very high	94.8	Very high	46 Å²	46	54.1 Å²	54.1	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-44.5	176.7	178.9	64.8	0	0	0	112	K81 I82 V83 M87 F88 W89 A96 Y99 W103	K81-L85 WeakPolarHBondContact O-CB 3.47Å; K81-L85 PolarHBondContact O-N 2.91Å; I82-L85 PolarHBondContact O-N 2.95Å; V83-L85 VanDerWaalsContact C-N 3.29Å; V83-L85 PolarHBondContact O-N 3.06Å; L85-M87 VanDerWaalsContact C-N 3.3Å; L85-M87 PolarHBondContact O-N 2.88Å; L85-F88 PolarHBondContact O-N 3.44Å; L85-W89 WeakPolarHBondContact O-CB 3.35Å; L85-W89 PolarHBondContact O-N 2.82Å; L85-A96 HydrophobicContact CD1-CB 4.22Å; L85-A96 VanDerWaalsContact CD1-O 3.28Å; L85-A96 WeakPolarHBondContact CD1-O 3.37Å; L85-Y99 HydrophobicContact CB-CD1 3.9Å; L85-Y99 HydrophobicContact CB-CE1 3.98Å; L85-Y99 HydrophobicContact CD1-CD1 3.93Å; L85-W103 HydrophobicContact CD2-CE3 4.39Å; L85-W103 HydrophobicContact CD2-CZ3 4.04Å
86	L	95.4	Very high	95.2	Very high	91 Å²	91	51.5 Å²	51.5	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-37.1	176.8	-68	174.7	0	0	0	112.1	I82 V83 W89 K90	I82-L86 HydrophobicContact CG2-CD1 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3Å; V83-L86 PolarHBondContact O-N 3.03Å; L86-W89 WeakPolarHBondContact O-CB 3.45Å; L86-W89 PolarHBondContact O-N 3.1Å; L86-K90 PolarHBondContact O-N 3.43Å
87	M	93.8	Very high	95.5	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-47	175.8	-66	-88.4	-165.1	0	0	111.7	F25 F26 E48 M51 V83 S84 L85 W89 K90 Q91	F25-M87 HydrophobicContact CD1-CB 3.9Å; F25-M87 HydrophobicContact CD1-CG 4.06Å; F25-M87 HydrophobicContact CD1-SD 4.24Å; F25-M87 HydrophobicContact CD2-CB 3.51Å; F25-M87 HydrophobicContact CE1-CB 3.88Å; F25-M87 HydrophobicContact CE1-CG 4.04Å; F25-M87 HydrophobicContact CE1-SD 3.69Å; F25-M87 HydrophobicContact CE2-CB 3.48Å; F25-M87 VanDerWaalsContact CE2-CB 3.48Å; F25-M87 HydrophobicContact CE2-CG 4.49Å; F25-M87 HydrophobicContact CG-CB 3.73Å; F25-M87 HydrophobicContact CG-CG 4.31Å; F25-M87 HydrophobicContact CZ-CB 3.68Å; F25-M87 HydrophobicContact CZ-CG 4.27Å; F25-M87 HydrophobicContact CZ-SD 3.97Å; F26-M87 HydrophobicContact CZ-CE 4.12Å; E48-M87 HydrophobicContact CB-CE 3.97Å; E48-M87 HydrophobicContact CB-SD 3.94Å; E48-M87 HydrophobicContact CG-CE 4.38Å; E48-M87 HydrophobicContact CG-SD 3.69Å; E48-M87 WeakPolarHBondContact O-CE 3.13Å; M51-M87 HydrophobicContact CB-CE 3.38Å; M51-M87 HydrophobicContact CE-CE 3.45Å; M51-M87 VanDerWaalsContact CE-CE 3.45Å; M51-M87 HydrophobicContact CE-CG 4.15Å; M51-M87 HydrophobicContact CE-SD 3.14Å; M51-M87 WeakPolarHBondContact CE-SD 3.15Å; M51-M87 HydrophobicContact CG-CE 4.09Å; M51-M87 HydrophobicContact SD-CE 3.73Å; M51-M87 HydrophobicContact SD-CG 4.2Å; M51-M87 HydrophobicContact SD-SD 3.88Å; V83-M87 HydrophobicContact CG1-CE 3.78Å; V83-M87 HydrophobicContact CG1-CG 4.17Å; V83-M87 WeakPolarHBondContact O-CB 3.17Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.64Å; S84-M87 WeakPolarHBondContact O-CB 3.41Å; S84-M87 PolarHBondContact O-N 3.39Å; L85-M87 VanDerWaalsContact C-N 3.3Å; L85-M87 PolarHBondContact O-N 2.88Å; M87-W89 VanDerWaalsContact C-N 3.29Å; M87-W89 PolarHBondContact O-N 3.46Å; M87-K90 PolarHBondContact O-N 3.49Å; M87-Q91 PolarHBondContact O-N 2.7Å
88	F	95.9	Very high	95.6	Very high	9 Å²	9	57.2 Å²	57.2	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-37	174.8	-78.9	-59.8	0	0	0	111.8	L24 F25 Y39 S84 L85 K90 Q91 N92 A96 Y99	L24-F88 HydrophobicContact CG-CZ 4.4Å; F25-F88 HydrophobicContact CB-CD2 4.42Å; F25-F88 HydrophobicContact CB-CE2 3.81Å; F25-F88 HydrophobicContact CB-CZ 3.95Å; F25-F88 AromaticContact CD2-CD1 3.94Å; F25-F88 HydrophobicContact CD2-CD1 3.94Å; F25-F88 HydrophobicContact CD2-CD2 4.27Å; F25-F88 AromaticContact CD2-CE1 3.86Å; F25-F88 HydrophobicContact CD2-CE1 3.86Å; F25-F88 HydrophobicContact CD2-CE2 4.18Å; F25-F88 HydrophobicContact CD2-CG 4.15Å; F25-F88 AromaticContact CD2-CZ 3.98Å; F25-F88 HydrophobicContact CD2-CZ 3.98Å; F25-F88 HydrophobicContact CG-CZ 4.47Å; Y39-F88 WeakPolarHBondContact OH-CE1 3.29Å; S84-F88 WeakPolarHBondContact O-CD2 3.18Å; S84-F88 PolarHBondContact O-N 3.09Å; L85-F88 PolarHBondContact O-N 3.44Å; F88-K90 PolarHBondContact O-N 2.69Å; F88-Q91 PolarHBondContact O-N 3.14Å; F88-N92 CarbonylContact O-C 3.38Å; F88-N92 PolarHBondContact O-N 3.4Å; F88-A96 HydrophobicContact CB-CB 4.14Å; F88-Y99 HydrophobicContact CD2-CD1 4.37Å; F88-Y99 AromaticContact CD2-CD2 3.72Å; F88-Y99 HydrophobicContact CD2-CD2 3.72Å; F88-Y99 HydrophobicContact CD2-CE2 4.36Å; F88-Y99 AromaticContact CD2-CG 3.72Å; F88-Y99 HydrophobicContact CD2-CG 3.72Å; F88-Y99 AromaticContact CE2-CD2 3.51Å; F88-Y99 HydrophobicContact CE2-CD2 3.51Å; F88-Y99 AromaticContact CE2-CE2 3.99Å; F88-Y99 HydrophobicContact CE2-CE2 3.99Å; F88-Y99 HydrophobicContact CE2-CG 4.02Å
89	W	95.6	Very high	95.8	Very high	169 Å²	169	54 Å²	54	64%	0.64	27%	0.265	S	S	*	.	H	α-helix	trans	-59.4	-47.8	174.6	-171.6	-53.1	0	0	0	111.4	L85 L86 M87 Q91 A96	L85-W89 WeakPolarHBondContact O-CB 3.35Å; L85-W89 PolarHBondContact O-N 2.82Å; L86-W89 WeakPolarHBondContact O-CB 3.45Å; L86-W89 PolarHBondContact O-N 3.1Å; M87-W89 VanDerWaalsContact C-N 3.29Å; M87-W89 PolarHBondContact O-N 3.46Å; W89-Q91 PolarHBondContact O-N 3.01Å; W89-A96 HydrophobicContact CB-CB 4Å
90	K	92.4	Very high	96	Very high	131 Å²	131	52.8 Å²	52.8	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-61.1	-33.8	177.5	-78.3	-171.1	169.4	-168.8	0	112.7	Q47 M51 L86 M87 F88	Q47-K90 VanDerWaalsContact OE1-NZ 3.09Å; M51-K90 HydrophobicContact CE-CD 4.18Å; L86-K90 PolarHBondContact O-N 3.43Å; M87-K90 PolarHBondContact O-N 3.49Å; F88-K90 PolarHBondContact O-N 2.69Å
91	Q	91.6	Very high	96.2	Very high	68 Å²	68	56.3 Å²	56.3	32%	0.318	29%	0.285	S	S	.	.	H	α-helix	trans	-74.8	-59.7	177.4	179.8	60.8	19.3	0	0	112	M38 Y39 M87 F88 W89 Y95	M38-Q91 PolarHBondContact O-NE2 3.21Å; Y39-Q91 HydrophobicContact CD1-CG 3.78Å; Y39-Q91 HydrophobicContact CE1-CB 4.28Å; Y39-Q91 HydrophobicContact CE1-CG 3.66Å; M87-Q91 PolarHBondContact O-N 2.7Å; F88-Q91 PolarHBondContact O-N 3.14Å; W89-Q91 PolarHBondContact O-N 3.01Å; Q91-Y95 HydrophobicContact CG-CD2 4.23Å
92	N	94.1	Very high	96.2	Very high	63 Å²	63	60.2 Å²	60.2	34%	0.337	31%	0.307	S	S	.	.			trans	-161	127.5	-178.4	-171.5	-43.7	0	0	0	110	F88 V94 Y95 A96	F88-N92 CarbonylContact O-C 3.38Å; F88-N92 PolarHBondContact O-N 3.4Å; N92-V94 PolarHBondContact O-N 3.23Å; N92-V94 VanDerWaalsContact O-N 3.15Å; N92-V94 WeakPolarHBondContact OD1-CB 3.48Å; N92-V94 PolarHBondContact OD1-N 2.99Å; N92-Y95 HydrophobicContact CB-CD2 3.51Å; N92-Y95 HydrophobicContact CB-CE2 3.85Å; N92-Y95 HydrophobicContact CB-CG 4.07Å; N92-Y95 PolarHBondContact O-N 2.88Å; N92-Y95 VanDerWaalsContact O-N 3.09Å; N92-A96 PolarHBondContact O-N 3.14Å; N92-A96 VanDerWaalsContact O-N 3.14Å
93	V	96.5	Very high	96.3	Very high	76 Å²	76	59.7 Å²	59.7	46%	0.461	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-32.1	-178.9	76.5	0	0	0	0	113.1	A96 I97	V93-A96 WeakPolarHBondContact O-CB 3.37Å; V93-A96 PolarHBondContact O-N 3.15Å; V93-I97 HydrophobicContact CG2-CD1 4.41Å; V93-I97 VanDerWaalsContact O-CG1 3.31Å; V93-I97 WeakPolarHBondContact O-CG1 3.47Å; V93-I97 PolarHBondContact O-N 3.42Å
94	V	97	Very high	96.4	Very high	80 Å²	80	64.7 Å²	64.7	49%	0.485	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-44.6	178.2	179.8	0	0	0	0	110.7	N92 A96 I97 L98	N92-V94 PolarHBondContact O-N 3.23Å; N92-V94 VanDerWaalsContact O-N 3.15Å; N92-V94 WeakPolarHBondContact OD1-CB 3.48Å; N92-V94 PolarHBondContact OD1-N 2.99Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 3.39Å; V94-I97 PolarHBondContact O-N 3.41Å; V94-L98 HydrophobicContact CG1-CD1 4.35Å; V94-L98 WeakPolarHBondContact O-CG 3.4Å; V94-L98 PolarHBondContact O-N 3.03Å
95	Y	95.9	Very high	96.6	Very high	47 Å²	47	68 Å²	68	18%	0.184	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-35.8	176.4	-57.9	-29.5	0	0	0	111.6	M38 Q91 N92 L98 Y99	M38-Y95 HydrophobicContact CB-CE2 3.95Å; M38-Y95 HydrophobicContact CG-CE2 4.16Å; Q91-Y95 HydrophobicContact CG-CD2 4.23Å; N92-Y95 HydrophobicContact CB-CD2 3.51Å; N92-Y95 HydrophobicContact CB-CE2 3.85Å; N92-Y95 HydrophobicContact CB-CG 4.07Å; N92-Y95 PolarHBondContact O-N 2.88Å; N92-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L98 PolarHBondContact O-N 3.37Å; Y95-Y99 VanDerWaalsContact O-CB 3.29Å; Y95-Y99 WeakPolarHBondContact O-CB 3.03Å; Y95-Y99 PolarHBondContact O-N 3.47Å
96	A	97.8	Very high	96.5	Very high	5 Å²	5	66.4 Å²	66.4	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-42.4	174.3	0	0	0	0	0	112.3	L85 F88 W89 N92 V93 V94 Y99 G100	L85-A96 HydrophobicContact CD1-CB 4.22Å; L85-A96 VanDerWaalsContact CD1-O 3.28Å; L85-A96 WeakPolarHBondContact CD1-O 3.37Å; F88-A96 HydrophobicContact CB-CB 4.14Å; W89-A96 HydrophobicContact CB-CB 4Å; N92-A96 PolarHBondContact O-N 3.14Å; N92-A96 VanDerWaalsContact O-N 3.14Å; V93-A96 WeakPolarHBondContact O-CB 3.37Å; V93-A96 PolarHBondContact O-N 3.15Å; V94-A96 VanDerWaalsContact C-N 3.29Å; V94-A96 PolarHBondContact O-N 3.39Å; A96-Y99 PolarHBondContact O-N 3.48Å; A96-G100 PolarHBondContact O-N 3.08Å
97	I	98.5	Very high	96.5	Very high	107 Å²	107	64.4 Å²	64.4	55%	0.549	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-48.6	175.9	-69.4	165.3	0	0	0	110.2	V93 V94 Y99 G100 V101	V93-I97 HydrophobicContact CG2-CD1 4.41Å; V93-I97 VanDerWaalsContact O-CG1 3.31Å; V93-I97 WeakPolarHBondContact O-CG1 3.47Å; V93-I97 PolarHBondContact O-N 3.42Å; V94-I97 PolarHBondContact O-N 3.41Å; I97-Y99 VanDerWaalsContact C-N 3.35Å; I97-Y99 PolarHBondContact O-N 2.97Å; I97-G100 PolarHBondContact O-N 2.82Å; I97-V101 WeakPolarHBondContact O-CG2 3.14Å; I97-V101 PolarHBondContact O-N 3.08Å
98	L	97.9	Very high	96.6	Very high	103 Å²	103	68.5 Å²	68.5	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-45.3	178.2	-69.2	175.1	0	0	0	111.7	V94 Y95 V101 L102	V94-L98 HydrophobicContact CG1-CD1 4.35Å; V94-L98 WeakPolarHBondContact O-CG 3.4Å; V94-L98 PolarHBondContact O-N 3.03Å; Y95-L98 PolarHBondContact O-N 3.37Å; L98-V101 PolarHBondContact O-N 3.36Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.24Å
99	Y	98.5	Very high	96.6	Very high	5 Å²	5	76 Å²	76	2%	0.02	40%	0.395	C	S	.	.	H	α-helix	trans	-61.1	-44.3	175.2	-176.5	-93.3	0	0	0	112.1	L21 L24 K81 S84 L85 F88 Y95 A96 I97 V101 L102 W103	L21-Y99 HydrophobicContact CD2-CE2 4.41Å; L21-Y99 WeakPolarHBondContact O-CE2 3.45Å; L21-Y99 PolarHBondContact O-OH 3.09Å; L24-Y99 HydrophobicContact CB-CE2 4.15Å; L24-Y99 HydrophobicContact CD2-CD2 3.87Å; L24-Y99 HydrophobicContact CD2-CE2 3.95Å; K81-Y99 WeakPolarHBondContact CA-OH 3.5Å; K81-Y99 HydrophobicContact CB-CE1 4.49Å; K81-Y99 WeakPolarHBondContact CB-OH 3.48Å; K81-Y99 WeakPolarHBondContact CG-OH 3.29Å; K81-Y99 WeakPolarHBondContact O-CE1 3.34Å; S84-Y99 WeakPolarHBondContact CB-OH 3.38Å; L85-Y99 HydrophobicContact CB-CD1 3.9Å; L85-Y99 HydrophobicContact CB-CE1 3.98Å; L85-Y99 HydrophobicContact CD1-CD1 3.93Å; F88-Y99 HydrophobicContact CD2-CD1 4.37Å; F88-Y99 AromaticContact CD2-CD2 3.72Å; F88-Y99 HydrophobicContact CD2-CD2 3.72Å; F88-Y99 HydrophobicContact CD2-CE2 4.36Å; F88-Y99 AromaticContact CD2-CG 3.72Å; F88-Y99 HydrophobicContact CD2-CG 3.72Å; F88-Y99 AromaticContact CE2-CD2 3.51Å; F88-Y99 HydrophobicContact CE2-CD2 3.51Å; F88-Y99 AromaticContact CE2-CE2 3.99Å; F88-Y99 HydrophobicContact CE2-CE2 3.99Å; F88-Y99 HydrophobicContact CE2-CG 4.02Å; Y95-Y99 VanDerWaalsContact O-CB 3.29Å; Y95-Y99 WeakPolarHBondContact O-CB 3.03Å; Y95-Y99 PolarHBondContact O-N 3.47Å; A96-Y99 PolarHBondContact O-N 3.48Å; I97-Y99 VanDerWaalsContact C-N 3.35Å; I97-Y99 PolarHBondContact O-N 2.97Å; Y99-V101 VanDerWaalsContact C-N 3.33Å; Y99-V101 PolarHBondContact O-N 2.95Å; Y99-L102 PolarHBondContact O-N 3.32Å; Y99-W103 HydrophobicContact CE1-CE3 4.23Å; Y99-W103 WeakPolarHBondContact O-CB 3.18Å; Y99-W103 PolarHBondContact O-N 2.83Å
100	G	98.5	Very high	96.5	Very high	16 Å²	16	70.3 Å²	70.3	17%	0.165	38%	0.377	C	S	.	.	H	α-helix	trans	-58.8	-43.7	175.9	0	0	0	0	0	112.1	A96 I97 W103 L104	A96-G100 PolarHBondContact O-N 3.08Å; I97-G100 PolarHBondContact O-N 2.82Å; G100-W103 PolarHBondContact O-N 2.79Å; G100-L104 WeakPolarHBondContact O-CB 3.41Å; G100-L104 VanDerWaalsContact O-CG 3.3Å; G100-L104 WeakPolarHBondContact O-CG 3.42Å; G100-L104 PolarHBondContact O-N 2.86Å
101	V	98.6	Very high	96.4	Very high	78 Å²	78	70.9 Å²	70.9	47%	0.473	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-47	174.9	172.4	0	0	0	0	111	I97 L98 Y99 W103 L104 V105	I97-V101 WeakPolarHBondContact O-CG2 3.14Å; I97-V101 PolarHBondContact O-N 3.08Å; L98-V101 PolarHBondContact O-N 3.36Å; Y99-V101 VanDerWaalsContact C-N 3.33Å; Y99-V101 PolarHBondContact O-N 2.95Å; V101-W103 VanDerWaalsContact C-N 3.3Å; V101-W103 PolarHBondContact O-N 3.18Å; V101-L104 PolarHBondContact O-N 3.5Å; V101-V105 HydrophobicContact CG1-CG2 4.31Å; V101-V105 WeakPolarHBondContact O-CB 3.39Å; V101-V105 VanDerWaalsContact O-CG2 3.27Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.03Å
102	L	98.1	Very high	96.4	Very high	92 Å²	92	70.7 Å²	70.7	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-59.5	-41.3	176.9	-71.9	174.2	0	0	0	112.2	L21 L98 Y99 Q106	L21-L102 HydrophobicContact CD2-CB 4.23Å; L98-L102 WeakPolarHBondContact O-CG 3.26Å; L98-L102 PolarHBondContact O-N 3.24Å; Y99-L102 PolarHBondContact O-N 3.32Å; L102-Q106 WeakPolarHBondContact O-CB 3.44Å; L102-Q106 PolarHBondContact O-N 3.43Å
103	W	98.3	Very high	96.1	Very high	52 Å²	52	68.9 Å²	68.9	20%	0.197	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-43.4	176.3	-178.6	10.3	0	0	0	111.4	K81 I82 L85 Y99 G100 V101 V105 Q106 A107	K81-W103 HydrophobicContact CB-CD2 3.99Å; K81-W103 HydrophobicContact CB-CE3 4.09Å; K81-W103 HydrophobicContact CB-CH2 4.28Å; K81-W103 HydrophobicContact CB-CZ2 4.16Å; K81-W103 HydrophobicContact CB-CZ3 4.23Å; K81-W103 HydrophobicContact CD-CD2 4.21Å; K81-W103 HydrophobicContact CD-CG 4.03Å; K81-W103 VanDerWaalsContact NZ-CD1 3.26Å; I82-W103 HydrophobicContact CD1-CH2 4.46Å; I82-W103 HydrophobicContact CG1-CH2 3.5Å; I82-W103 HydrophobicContact CG1-CZ2 4.48Å; I82-W103 HydrophobicContact CG1-CZ3 4.12Å; L85-W103 HydrophobicContact CD2-CE3 4.39Å; L85-W103 HydrophobicContact CD2-CZ3 4.04Å; Y99-W103 HydrophobicContact CE1-CE3 4.23Å; Y99-W103 WeakPolarHBondContact O-CB 3.18Å; Y99-W103 PolarHBondContact O-N 2.83Å; G100-W103 PolarHBondContact O-N 2.79Å; V101-W103 VanDerWaalsContact C-N 3.3Å; V101-W103 PolarHBondContact O-N 3.18Å; W103-V105 PolarHBondContact O-N 2.88Å; W103-Q106 PolarHBondContact O-N 3.31Å; W103-A107 WeakPolarHBondContact O-CB 3.42Å; W103-A107 PolarHBondContact O-N 2.86Å
104	L	97.7	Very high	95.5	Very high	117 Å²	117	69.7 Å²	69.7	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-61.5	-44.6	175.3	-72.5	173.3	0	0	0	112	G100 V101 Q106 A107 C108	G100-L104 WeakPolarHBondContact O-CB 3.41Å; G100-L104 VanDerWaalsContact O-CG 3.3Å; G100-L104 WeakPolarHBondContact O-CG 3.42Å; G100-L104 PolarHBondContact O-N 2.86Å; V101-L104 PolarHBondContact O-N 3.5Å; L104-Q106 PolarHBondContact O-N 3.19Å; L104-A107 PolarHBondContact O-N 2.87Å; L104-A107 VanDerWaalsContact O-N 3.14Å; L104-C108 PolarHBondContact O-N 2.81Å; L104-C108 PolarHBondContact O-SG 3.33Å; L104-C108 VanDerWaalsContact O-SG 3.33Å
105	V	98.1	Very high	94.9	Very high	71 Å²	71	68.8 Å²	68.8	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-50.2	174.5	169.7	0	0	0	0	110	V101 W103 A107 C108 F109	V101-V105 HydrophobicContact CG1-CG2 4.31Å; V101-V105 WeakPolarHBondContact O-CB 3.39Å; V101-V105 VanDerWaalsContact O-CG2 3.27Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.03Å; W103-V105 PolarHBondContact O-N 2.88Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 3.38Å; V105-C108 PolarHBondContact O-N 3.42Å; V105-F109 HydrophobicContact CB-CD2 4.49Å; V105-F109 HydrophobicContact CG1-CD2 3.68Å; V105-F109 HydrophobicContact CG1-CE2 3.98Å; V105-F109 WeakPolarHBondContact O-CD2 3.45Å; V105-F109 PolarHBondContact O-N 3.34Å
106	Q	96.2	Very high	94.3	Very high	12 Å²	12	73.8 Å²	73.8	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-56.7	-43.8	174.8	175.7	-82.3	-59.1	0	0	111.9	V17 N18 L21 L102 W103 L104 C108 L110	V17-Q106 HydrophobicContact CG1-CB 4.41Å; V17-Q106 HydrophobicContact CG1-CG 3.86Å; N18-Q106 PolarHBondContact ND2-NE2 3.22Å; N18-Q106 VanDerWaalsContact ND2-NE2 3.12Å; N18-Q106 PolarHBondContact OD1-OE1 3.39Å; L21-Q106 HydrophobicContact CD1-CB 3.7Å; L21-Q106 HydrophobicContact CD1-CG 3.85Å; L102-Q106 WeakPolarHBondContact O-CB 3.44Å; L102-Q106 PolarHBondContact O-N 3.43Å; W103-Q106 PolarHBondContact O-N 3.31Å; L104-Q106 PolarHBondContact O-N 3.19Å; Q106-C108 VanDerWaalsContact C-N 3.32Å; Q106-C108 PolarHBondContact O-N 3.23Å; Q106-L110 HydrophobicContact CG-CB 4.27Å; Q106-L110 HydrophobicContact CG-CD1 4.34Å; Q106-L110 PolarHBondContact NE2-O 2.68Å; Q106-L110 CarbonylContact O-C 3.46Å; Q106-L110 WeakPolarHBondContact O-CA 3.29Å; Q106-L110 WeakPolarHBondContact O-CB 3.35Å; Q106-L110 PolarHBondContact O-N 3.09Å; Q106-L110 VanDerWaalsContact O-O 3.08Å
107	A	96	Very high	93.8	Very high	49 Å²	49	75 Å²	75	41%	0.405	41%	0.408	S	S	.	.	H	α-helix	trans	-65.7	-34.5	-179.1	0	0	0	0	0	112.6	W103 L104 V105	W103-A107 WeakPolarHBondContact O-CB 3.42Å; W103-A107 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 2.87Å; L104-A107 VanDerWaalsContact O-N 3.14Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 3.38Å
108	C	96	Very high	93.4	Very high	88 Å²	88	74.1 Å²	74.1	60%	0.595	41%	0.41	S	S	*	.	H	α-helix	trans	-72.6	-46.1	176	-70.1	0	0	0	0	112.5	L104 V105 Q106	L104-C108 PolarHBondContact O-N 2.81Å; L104-C108 PolarHBondContact O-SG 3.33Å; L104-C108 VanDerWaalsContact O-SG 3.33Å; V105-C108 PolarHBondContact O-N 3.42Å; Q106-C108 VanDerWaalsContact C-N 3.32Å; Q106-C108 PolarHBondContact O-N 3.23Å
109	F	95.5	Very high	93.2	Very high	167 Å²	167	73 Å²	73	73%	0.732	40%	0.404	S	S	*	.	H	α-helix	trans	-95.9	-28.8	-170.2	-66.5	-73.9	0	0	0	114.5	V105	V105-F109 HydrophobicContact CB-CD2 4.49Å; V105-F109 HydrophobicContact CG1-CD2 3.68Å; V105-F109 HydrophobicContact CG1-CE2 3.98Å; V105-F109 WeakPolarHBondContact O-CD2 3.45Å; V105-F109 PolarHBondContact O-N 3.34Å
110	L	93.5	Very high	93	Very high	49 Å²	49	77.5 Å²	77.5	26%	0.257	42%	0.424	S	S	.	.			trans	-118.5	91.4	-176.6	-64.3	173.7	0	0	0	109.3	P13 Y14 V17 Q106	P13-L110 HydrophobicContact CB-CD2 4.43Å; Y14-L110 HydrophobicContact CD2-CB 4.46Å; Y14-L110 WeakPolarHBondContact CD2-O 3.14Å; Y14-L110 WeakPolarHBondContact CE2-O 3.45Å; V17-L110 HydrophobicContact CB-CD1 3.77Å; V17-L110 HydrophobicContact CG1-CD1 3.87Å; V17-L110 HydrophobicContact CG2-CD1 3.65Å; Q106-L110 HydrophobicContact CG-CB 4.27Å; Q106-L110 HydrophobicContact CG-CD1 4.34Å; Q106-L110 PolarHBondContact NE2-O 2.68Å; Q106-L110 CarbonylContact O-C 3.46Å; Q106-L110 WeakPolarHBondContact O-CA 3.29Å; Q106-L110 WeakPolarHBondContact O-CB 3.35Å; Q106-L110 PolarHBondContact O-N 3.09Å; Q106-L110 VanDerWaalsContact O-O 3.08Å
111	Q	91.1	Very high	93	Very high	144 Å²	144	77.7 Å²	77.7	67%	0.673	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-87	157.1	175.2	-62.8	-175.9	-11	0	0	111.3	Y14	Y14-Q111 VanDerWaalsContact CD2-C 3.42Å; Y14-Q111 WeakPolarHBondContact CD2-O 3.22Å
112	Q	89.7	Confident	92.9	Very high	63 Å²	63	77.9 Å²	77.9	29%	0.294	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.5	127.1	175.7	-177.4	178.3	-21.7	0	0	109.2	Y14 D71 A74 V114	Y14-Q112 HydrophobicContact CD1-CB 4.4Å; Y14-Q112 HydrophobicContact CD1-CG 4.47Å; Y14-Q112 HydrophobicContact CE1-CB 3.88Å; Y14-Q112 HydrophobicContact CE1-CG 3.97Å; Y14-Q112 HydrophobicContact CE2-CB 4.11Å; D71-Q112 PolarHBondContact OD1-NE2 3.3Å; D71-Q112 VanDerWaalsContact OD1-NE2 3.09Å; A74-Q112 VanDerWaalsContact CB-OE1 3.22Å; Q112-V114 PolarHBondContact O-N 3.21Å
113	P	88.3	Confident	92.9	Very high	26 Å²	26	77.1 Å²	77.1	17%	0.169	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-65.5	129.3	175.1	27	-34.4	0	0	0	110.3	L9 H12 F15	L9-P113 HydrophobicContact CD1-CB 3.84Å; L9-P113 HydrophobicContact CD1-CG 3.48Å; L9-P113 VanDerWaalsContact CD1-CG 3.48Å; L9-P113 HydrophobicContact CG-CG 4.4Å; H12-P113 HydrophobicContact CB-CG 4.21Å; F15-P113 HydrophobicContact CE2-CG 3.86Å
114	V	83.7	Confident	92.9	Very high	93 Å²	93	74.6 Å²	74.6	56%	0.564	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-99.4	153.1	171.7	-176.4	0	0	0	0	108.6	Q112 N116	Q112-V114 PolarHBondContact O-N 3.21Å; V114-N116 PolarHBondContact O-N 2.89Å; V114-N116 VanDerWaalsContact O-N 3.1Å; V114-N116 PolarHBondContact O-ND2 3.24Å
115	Y	85.1	Confident	92.9	Very high	60 Å²	60	75.6 Å²	75.6	24%	0.235	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-55.4	117.5	173.2	178.8	-98.7	0	0	0	110.4	G117 P118 A162 E163	Y115-G117 WeakPolarHBondContact CE1-O 3.33Å; Y115-G117 VanDerWaalsContact CZ-CA 3.46Å; Y115-P118 PolarHBondContact OH-O 2.95Å; Y115-A162 HydrophobicContact CD1-CB 3.79Å; Y115-A162 HydrophobicContact CE1-CB 3.75Å; Y115-E163 HydrophobicContact CD1-CG 4.32Å; Y115-E163 HydrophobicContact CD2-CG 3.35Å; Y115-E163 HydrophobicContact CE1-CG 4.24Å; Y115-E163 HydrophobicContact CE2-CB 4.5Å; Y115-E163 HydrophobicContact CE2-CG 3.26Å; Y115-E163 HydrophobicContact CG-CG 3.9Å
116	N	83.5	Confident	92.7	Very high	152 Å²	152	75.9 Å²	75.9	81%	0.813	40%	0.396	S	S	*	.			trans	-118.6	20.3	179.2	-68	-34.4	0	0	0	111.7	V114	V114-N116 PolarHBondContact O-N 2.89Å; V114-N116 VanDerWaalsContact O-N 3.1Å; V114-N116 PolarHBondContact O-ND2 3.24Å
117	G	86.3	Confident	92.6	Very high	30 Å²	30	78.9 Å²	78.9	31%	0.309	42%	0.415	S	S	.	.	S	Bend	trans	-79.2	172.1	176.8	0	0	0	0	0	112.1	Y115	Y115-G117 WeakPolarHBondContact CE1-O 3.33Å; Y115-G117 VanDerWaalsContact CZ-CA 3.46Å
118	P	91	Very high	92.7	Very high	90 Å²	90	78.1 Å²	78.1	58%	0.584	41%	0.406	S	S	*	.			trans	-60.7	148.9	170.9	28.3	-34.1	0	0	0	110.4	Y115 E166	Y115-P118 PolarHBondContact OH-O 2.95Å; P118-E166 HydrophobicContact CG-CG 4.37Å
119	D	93.1	Very high	92.7	Very high	78 Å²	78	74.1 Å²	74.1	42%	0.417	38%	0.378	S	S	.	.			trans	-137.4	150.8	171.9	81.5	80.9	0	0	0	110.4	V121 A162	D119-V121 HydrophobicContact CB-CG2 4.39Å; D119-V121 VanDerWaalsContact OD1-CB 3.24Å; D119-V121 WeakPolarHBondContact OD1-CB 3.26Å; D119-V121 WeakPolarHBondContact OD1-CG2 3.12Å; D119-V121 PolarHBondContact OD1-N 3.29Å; D119-A162 HydrophobicContact CB-CB 3.63Å
120	K	95.5	Very high	92.8	Very high	101 Å²	101	68.5 Å²	68.5	44%	0.439	35%	0.354	S	S	.	.			trans	-108.6	31	179.5	-63.3	172.9	-174.7	147	0	110.5	S165 E166	K120-S165 PolarHBondContact N-OG 3.23Å; K120-E166 WeakPolarHBondContact CE-OE2 3.33Å; K120-E166 PolarHBondContact NZ-O 3.29Å; K120-E166 IonicContact NZ-OE1 2.81Å; K120-E166 PolarHBondContact NZ-OE1 3.27Å; K120-E166 IonicContact NZ-OE2 3.23Å; K120-E166 PolarHBondContact NZ-OE2 3.31Å
121	V	97.5	Very high	92.9	Very high	20 Å²	20	72.1 Å²	72.1	12%	0.121	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.5	-178.5	-173.9	0	0	0	0	110.4	D119 F161 S165 F175 K177	D119-V121 HydrophobicContact CB-CG2 4.39Å; D119-V121 VanDerWaalsContact OD1-CB 3.24Å; D119-V121 WeakPolarHBondContact OD1-CB 3.26Å; D119-V121 WeakPolarHBondContact OD1-CG2 3.12Å; D119-V121 PolarHBondContact OD1-N 3.29Å; V121-F161 HydrophobicContact CG1-CD1 4Å; V121-F161 HydrophobicContact CG1-CE1 3.74Å; V121-F161 HydrophobicContact CG2-CD1 3.82Å; V121-F161 HydrophobicContact CG2-CE1 4.08Å; V121-S165 WeakPolarHBondContact CG2-OG 3.22Å; V121-F175 HydrophobicContact CG2-CB 4.35Å; V121-K177 HydrophobicContact CG1-CB 3.95Å; V121-K177 HydrophobicContact CG1-CD 3.82Å; V121-K177 HydrophobicContact CG1-CG 3.8Å
122	L	97.5	Very high	93.1	Very high	81 Å²	81	69 Å²	69	42%	0.424	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.4	175.2	-173	62	0	0	0	111.1	L124 W142 F175 G176 K177	L122-L124 HydrophobicContact CD2-CD2 3.74Å; L122-L124 HydrophobicContact CG-CD2 4.05Å; L122-L124 PolarHBondContact O-N 3.43Å; L122-W142 HydrophobicContact CB-CZ3 4.43Å; L122-W142 HydrophobicContact CD2-CH2 3.84Å; L122-W142 HydrophobicContact CD2-CZ3 4.33Å; L122-F175 PolarHBondContact N-O 3.33Å; L122-G176 CarbonylContact O-C 3.59Å; L122-G176 VanDerWaalsContact O-CA 3.25Å; L122-G176 WeakPolarHBondContact O-CA 3.23Å; L122-K177 PolarHBondContact O-N 3.16Å
123	Y	97.4	Very high	93.5	Very high	76 Å²	76	66.2 Å²	66.2	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113	168.3	-175.4	-91.3	0	0	0	109.8	R125 Y147 K177 D179 R182	Y123-R125 HydrophobicContact CD1-CG 4.39Å; Y123-R125 HydrophobicContact CE1-CG 4.16Å; Y123-Y147 HydrophobicContact CE2-CE1 4.43Å; Y123-Y147 WeakPolarHBondContact CE2-OH 3.09Å; Y123-K177 HydrophobicContact CD2-CG 4.12Å; Y123-D179 HydrophobicContact CE2-CB 4.41Å; Y123-R182 WeakPolarHBondContact OH-CD 3.37Å
124	L	97.9	Very high	93.9	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.343	C	S	.	.			trans	-94.3	126.7	-178.8	-61.1	173.7	0	0	0	109.8	L122 F129 V133 W142 V144 K177 I178	L122-L124 HydrophobicContact CD2-CD2 3.74Å; L122-L124 HydrophobicContact CG-CD2 4.05Å; L122-L124 PolarHBondContact O-N 3.43Å; L124-F129 HydrophobicContact CB-CB 4.38Å; L124-F129 HydrophobicContact CD1-CD2 4.03Å; L124-V133 HydrophobicContact CD1-CG2 3.7Å; L124-V133 HydrophobicContact CD2-CG2 4.48Å; L124-W142 HydrophobicContact CD2-CZ3 4.48Å; L124-V144 HydrophobicContact CD1-CG1 3.97Å; L124-V144 HydrophobicContact CD1-CG2 3.97Å; L124-K177 PolarHBondContact N-O 2.97Å; L124-I178 HydrophobicContact CB-CB 4.32Å; L124-I178 HydrophobicContact CB-CD1 4.32Å; L124-I178 WeakPolarHBondContact O-CD1 3.48Å; L124-I178 VanDerWaalsContact O-CG1 3.25Å; L124-I178 WeakPolarHBondContact O-CG1 3.31Å
125	R	97.1	Very high	94.5	Very high	137 Å²	137	71.1 Å²	71.1	52%	0.517	35%	0.35	S	S	.	.			trans	-89.1	169.3	160.8	-51.3	-169.6	178.6	111	-0.6	110	Y123 T127 T128 F129 Y183	Y123-R125 HydrophobicContact CD1-CG 4.39Å; Y123-R125 HydrophobicContact CE1-CG 4.16Å; R125-T127 PolarHBondContact O-N 3.07Å; R125-T128 WeakPolarHBondContact CA-OG1 3.32Å; R125-T128 PolarHBondContact N-OG1 3.15Å; R125-T128 PolarHBondContact O-N 2.97Å; R125-T128 PolarHBondContact O-OG1 2.97Å; R125-F129 WeakPolarHBondContact O-CB 3.36Å; R125-F129 PolarHBondContact O-N 3.17Å; R125-Y183 HydrophobicContact CB-CE1 4.29Å; R125-Y183 HydrophobicContact CB-CE2 4.21Å; R125-Y183 WeakPolarHBondContact CB-OH 3.18Å; R125-Y183 WeakPolarHBondContact CD-OH 3.35Å; R125-Y183 HydrophobicContact CG-CE2 4.48Å; R125-Y183 VanDerWaalsContact CG-OH 3.23Å; R125-Y183 WeakPolarHBondContact CG-OH 3.39Å
126	D	94.4	Very high	94.9	Very high	77 Å²	77	69.4 Å²	69.4	41%	0.412	35%	0.35	S	S	.	.	H	α-helix	trans	-47.7	-52.1	171.5	62.9	-29.8	0	0	0	114.3	F129 E130 Y183 I186	D126-F129 PolarHBondContact O-N 3.28Å; D126-E130 PolarHBondContact O-N 2.93Å; D126-E130 VanDerWaalsContact O-N 3.11Å; D126-Y183 HydrophobicContact CB-CD1 3.7Å; D126-Y183 HydrophobicContact CB-CE1 4.11Å; D126-Y183 HydrophobicContact CB-CG 4.3Å; D126-Y183 WeakPolarHBondContact OD1-CE1 3.46Å; D126-I186 HydrophobicContact CB-CD1 3.9Å
127	T	95.3	Very high	95.4	Very high	75 Å²	75	66.4 Å²	66.4	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-48.1	-179	51.7	0	0	0	0	111.8	R125 F129 E130 Q131	R125-T127 PolarHBondContact O-N 3.07Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.16Å; T127-E130 PolarHBondContact O-N 3.34Å; T127-Q131 WeakPolarHBondContact O-CB 3.46Å; T127-Q131 VanDerWaalsContact O-CG 3.29Å; T127-Q131 WeakPolarHBondContact O-CG 3.49Å; T127-Q131 PolarHBondContact O-N 2.81Å
128	T	96.5	Very high	95.6	Very high	34 Å²	34	68.6 Å²	68.6	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-67	-32.6	178.7	54.5	0	0	0	0	112.3	R125 Q131 E132	R125-T128 WeakPolarHBondContact CA-OG1 3.32Å; R125-T128 PolarHBondContact N-OG1 3.15Å; R125-T128 PolarHBondContact O-N 2.97Å; R125-T128 PolarHBondContact O-OG1 2.97Å; T128-Q131 PolarHBondContact O-N 2.97Å; T128-E132 WeakPolarHBondContact O-CB 3.38Å; T128-E132 PolarHBondContact O-N 2.9Å
129	F	97.4	Very high	95.7	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.018	35%	0.347	C	S	.	.	I	π-helix	trans	-64	-48	175.2	176.9	-92.8	0	0	0	110.1	L124 R125 D126 T127 Q131 V133 I134 V144 F146 I178 Y190 F207	L124-F129 HydrophobicContact CB-CB 4.38Å; L124-F129 HydrophobicContact CD1-CD2 4.03Å; R125-F129 WeakPolarHBondContact O-CB 3.36Å; R125-F129 PolarHBondContact O-N 3.17Å; D126-F129 PolarHBondContact O-N 3.28Å; T127-F129 VanDerWaalsContact C-N 3.32Å; T127-F129 PolarHBondContact O-N 3.16Å; F129-Q131 PolarHBondContact O-N 3.46Å; F129-V133 HydrophobicContact CD2-CB 4.09Å; F129-V133 HydrophobicContact CD2-CG1 4.46Å; F129-V133 HydrophobicContact CD2-CG2 3.84Å; F129-V133 HydrophobicContact CE2-CB 4.07Å; F129-V133 HydrophobicContact CE2-CG1 3.96Å; F129-V133 HydrophobicContact CE2-CG2 4.14Å; F129-V133 HydrophobicContact CG-CG2 4.49Å; F129-V133 HydrophobicContact CZ-CG1 4.3Å; F129-V133 WeakPolarHBondContact O-CA 3.23Å; F129-V133 WeakPolarHBondContact O-CB 3.2Å; F129-V133 PolarHBondContact O-N 2.86Å; F129-I134 HydrophobicContact CD1-CG1 4.06Å; F129-I134 HydrophobicContact CE1-CD1 3.7Å; F129-I134 HydrophobicContact CE1-CG1 3.66Å; F129-I134 HydrophobicContact CZ-CD1 3.91Å; F129-I134 HydrophobicContact CZ-CG1 4.32Å; F129-I134 PolarHBondContact O-N 3.06Å; F129-V144 HydrophobicContact CE2-CG1 4.25Å; F129-V144 HydrophobicContact CE2-CG2 4.38Å; F129-F146 AromaticContact CE2-CZ 3.96Å; F129-F146 HydrophobicContact CE2-CZ 3.96Å; F129-F146 HydrophobicContact CZ-CZ 4.16Å; F129-I178 HydrophobicContact CB-CD1 4.18Å; F129-I178 HydrophobicContact CG-CD1 4.46Å; F129-Y190 AromaticContact CE1-CE2 3.56Å; F129-Y190 HydrophobicContact CE1-CE2 3.56Å; F129-Y190 AromaticContact CE1-CZ 3.84Å; F129-Y190 WeakPolarHBondContact CE1-OH 3.48Å; F129-Y190 AromaticContact CZ-CE2 3.59Å; F129-Y190 HydrophobicContact CZ-CE2 3.59Å; F129-Y190 AromaticContact CZ-CZ 3.71Å; F129-Y190 WeakPolarHBondContact CZ-OH 3.48Å; F129-F207 HydrophobicContact CE2-CE2 4.13Å; F129-F207 HydrophobicContact CE2-CZ 4.3Å; F129-F207 HydrophobicContact CZ-CE1 4.33Å; F129-F207 HydrophobicContact CZ-CE2 4.15Å; F129-F207 AromaticContact CZ-CZ 3.86Å; F129-F207 HydrophobicContact CZ-CZ 3.86Å
130	E	96.5	Very high	95.8	Very high	48 Å²	48	68.3 Å²	68.3	22%	0.224	33%	0.329	C	S	.	.	I	π-helix	trans	-63.4	-42	176.8	-174.3	68.6	-166.7	0	0	111.8	D126 T127 I134 R135 K189	D126-E130 PolarHBondContact O-N 2.93Å; D126-E130 VanDerWaalsContact O-N 3.11Å; T127-E130 PolarHBondContact O-N 3.34Å; E130-I134 WeakPolarHBondContact O-CB 3.43Å; E130-I134 PolarHBondContact O-N 3.33Å; E130-R135 WeakPolarHBondContact O-CB 3.47Å; E130-R135 WeakPolarHBondContact O-CG 3.47Å; E130-R135 PolarHBondContact O-N 3.39Å; E130-R135 IonicContact OE1-CZ 3.32Å; E130-R135 VanDerWaalsContact OE1-CZ 3.32Å; E130-R135 IonicContact OE1-NE 2.83Å; E130-R135 PolarHBondContact OE1-NE 3.5Å; E130-R135 IonicContact OE1-NH2 2.98Å; E130-R135 PolarHBondContact OE1-NH2 3.1Å; E130-K189 IonicContact OE2-NZ 3.14Å; E130-K189 PolarHBondContact OE2-NZ 3.14Å
131	Q	96.7	Very high	95.9	Very high	125 Å²	125	63.5 Å²	63.5	58%	0.584	31%	0.308	S	S	*	.	I	π-helix	trans	-72.3	-44.8	-177.9	-72	171.1	-13.3	0	0	113.6	T127 T128 F129 R135 G136	T127-Q131 WeakPolarHBondContact O-CB 3.46Å; T127-Q131 VanDerWaalsContact O-CG 3.29Å; T127-Q131 WeakPolarHBondContact O-CG 3.49Å; T127-Q131 PolarHBondContact O-N 2.81Å; T128-Q131 PolarHBondContact O-N 2.97Å; F129-Q131 PolarHBondContact O-N 3.46Å; Q131-R135 CarbonylContact O-C 3.36Å; Q131-G136 VanDerWaalsContact O-CA 3.23Å; Q131-G136 WeakPolarHBondContact O-CA 3.36Å; Q131-G136 PolarHBondContact O-N 3.21Å
132	E	95.6	Very high	95.9	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	30%	0.304	S	S	.	.	I	π-helix	trans	-92.1	-39.1	-172.3	-69.7	-76.6	169.9	0	0	112.9	T128 G136 W142 K174	T128-E132 WeakPolarHBondContact O-CB 3.38Å; T128-E132 PolarHBondContact O-N 2.9Å; E132-G136 WeakPolarHBondContact O-CA 3.41Å; E132-W142 HydrophobicContact CB-CH2 4.27Å; E132-W142 HydrophobicContact CB-CZ2 3.72Å; E132-W142 PolarHBondContact O-NE1 3.49Å; E132-K174 IonicContact OE2-NZ 3.36Å
133	V	97.3	Very high	96	Very high	5 Å²	5	59 Å²	59	3%	0.03	28%	0.283	C	S	.	.	I	π-helix	trans	-92.6	-45.2	-174.2	-173.3	0	0	0	0	111.1	L124 F129 W142 V144 F207 G210	L124-V133 HydrophobicContact CD1-CG2 3.7Å; L124-V133 HydrophobicContact CD2-CG2 4.48Å; F129-V133 HydrophobicContact CD2-CB 4.09Å; F129-V133 HydrophobicContact CD2-CG1 4.46Å; F129-V133 HydrophobicContact CD2-CG2 3.84Å; F129-V133 HydrophobicContact CE2-CB 4.07Å; F129-V133 HydrophobicContact CE2-CG1 3.96Å; F129-V133 HydrophobicContact CE2-CG2 4.14Å; F129-V133 HydrophobicContact CG-CG2 4.49Å; F129-V133 HydrophobicContact CZ-CG1 4.3Å; F129-V133 WeakPolarHBondContact O-CA 3.23Å; F129-V133 WeakPolarHBondContact O-CB 3.2Å; F129-V133 PolarHBondContact O-N 2.86Å; V133-W142 HydrophobicContact CB-CG 4.42Å; V133-W142 HydrophobicContact CG1-CB 4.01Å; V133-W142 HydrophobicContact CG1-CG 4.13Å; V133-W142 HydrophobicContact CG2-CB 4.5Å; V133-W142 HydrophobicContact CG2-CD2 3.91Å; V133-W142 HydrophobicContact CG2-CE3 4.23Å; V133-W142 HydrophobicContact CG2-CG 4.05Å; V133-V144 HydrophobicContact CG1-CG2 4.26Å; V133-V144 HydrophobicContact CG2-CG2 4.19Å; V133-F207 HydrophobicContact CG1-CB 3.65Å; V133-F207 HydrophobicContact CG1-CD1 4.22Å; V133-F207 HydrophobicContact CG1-CD2 3.74Å; V133-F207 HydrophobicContact CG1-CE2 4.41Å; V133-F207 HydrophobicContact CG1-CG 3.61Å; V133-G210 WeakPolarHBondContact O-CA 3.29Å
134	I	96.6	Very high	96	Very high	35 Å²	35	55.3 Å²	55.3	18%	0.179	27%	0.269	C	S	.	.	I	π-helix	trans	-87.3	-48.3	-173.8	-52.3	-55.3	0	0	0	112	F129 E130 Y190 F207 G210	F129-I134 HydrophobicContact CD1-CG1 4.06Å; F129-I134 HydrophobicContact CE1-CD1 3.7Å; F129-I134 HydrophobicContact CE1-CG1 3.66Å; F129-I134 HydrophobicContact CZ-CD1 3.91Å; F129-I134 HydrophobicContact CZ-CG1 4.32Å; F129-I134 PolarHBondContact O-N 3.06Å; E130-I134 WeakPolarHBondContact O-CB 3.43Å; E130-I134 PolarHBondContact O-N 3.33Å; I134-Y190 VanDerWaalsContact CD1-OH 3.31Å; I134-Y190 WeakPolarHBondContact CD1-OH 3.27Å; I134-F207 HydrophobicContact CD1-CD1 4.37Å; I134-F207 HydrophobicContact CD1-CE1 4.39Å; I134-G210 VanDerWaalsContact O-CA 3.25Å; I134-G210 WeakPolarHBondContact O-CA 3.22Å
135	R	96	Very high	96	Very high	188 Å²	188	55.5 Å²	55.5	71%	0.709	27%	0.271	S	S	*	.	S	Bend	trans	-105.3	2.3	-177.2	-57.9	-178.5	-169.7	-171.8	2	113.8	E130 Q131	E130-R135 WeakPolarHBondContact O-CB 3.47Å; E130-R135 WeakPolarHBondContact O-CG 3.47Å; E130-R135 PolarHBondContact O-N 3.39Å; E130-R135 IonicContact OE1-CZ 3.32Å; E130-R135 VanDerWaalsContact OE1-CZ 3.32Å; E130-R135 IonicContact OE1-NE 2.83Å; E130-R135 PolarHBondContact OE1-NE 3.5Å; E130-R135 IonicContact OE1-NH2 2.98Å; E130-R135 PolarHBondContact OE1-NH2 3.1Å; Q131-R135 CarbonylContact O-C 3.36Å
136	G	93.3	Very high	96.1	Very high	23 Å²	23	49 Å²	49	24%	0.237	25%	0.246	C	C	.	.	S	Bend	trans	-71.6	-173	-176.9	0	0	0	0	0	112.9	Q131 E132 P138	Q131-G136 VanDerWaalsContact O-CA 3.23Å; Q131-G136 WeakPolarHBondContact O-CA 3.36Å; Q131-G136 PolarHBondContact O-N 3.21Å; E132-G136 WeakPolarHBondContact O-CA 3.41Å; G136-P138 WeakPolarHBondContact O-CD 3.48Å; G136-P138 VanDerWaalsContact O-N 3.15Å
137	N	94	Very high	96.2	Very high	90 Å²	90	46.5 Å²	46.5	48%	0.481	23%	0.231	S	C	.	.			trans	-56.2	120.7	-178.1	179.8	-16.9	0	0	0	110.9	K139 V140	N137-K139 PolarHBondContact O-N 3.37Å; N137-K139 WeakPolarHBondContact OD1-CB 3.4Å; N137-K139 PolarHBondContact OD1-N 2.71Å; N137-V140 HydrophobicContact CB-CG2 3.8Å; N137-V140 WeakPolarHBondContact O-CB 3.49Å; N137-V140 PolarHBondContact O-N 3.49Å
138	P	92.2	Very high	96.2	Very high	75 Å²	75	43 Å²	43	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.8	-174.3	25	-35.1	0	0	0	114	G136 Q209	G136-P138 WeakPolarHBondContact O-CD 3.48Å; G136-P138 VanDerWaalsContact O-N 3.15Å; P138-Q209 HydrophobicContact CB-CG 3.87Å; P138-Q209 VanDerWaalsContact O-CG 3.3Å; P138-Q209 WeakPolarHBondContact O-CG 3.13Å
139	K	92.1	Very high	96	Very high	153 Å²	153	46 Å²	46	67%	0.665	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.8	175.3	-61.1	-176.8	178.9	-179.4	0	112.7	N137 L172	N137-K139 PolarHBondContact O-N 3.37Å; N137-K139 WeakPolarHBondContact OD1-CB 3.4Å; N137-K139 PolarHBondContact OD1-N 2.71Å; K139-L172 HydrophobicContact CB-CD2 3.86Å
140	V	95	Very high	95.7	Very high	9 Å²	9	51 Å²	51	6%	0.055	25%	0.246	C	C	.	.			trans	-80.5	129.6	-177.7	-179.1	0	0	0	0	109.5	N137 W142 L172 K174	N137-V140 HydrophobicContact CB-CG2 3.8Å; N137-V140 WeakPolarHBondContact O-CB 3.49Å; N137-V140 PolarHBondContact O-N 3.49Å; V140-W142 HydrophobicContact CG1-CG 4.49Å; V140-L172 HydrophobicContact CG2-CD2 4.13Å; V140-K174 HydrophobicContact CG1-CB 4.26Å; V140-K174 HydrophobicContact CG1-CD 3.9Å; V140-K174 HydrophobicContact CG1-CG 3.87Å
141	T	97	Very high	95.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134	170.6	-51.5	0	0	0	0	108.5	L172 M173 K174 L206 F207 R208 I246	T141-L172 PolarHBondContact N-O 3.3Å; T141-M173 HydrophobicContact CG2-SD 3.9Å; T141-M173 CarbonylContact O-C 3.59Å; T141-M173 WeakPolarHBondContact O-CA 3.35Å; T141-K174 PolarHBondContact O-N 3.36Å; T141-L206 HydrophobicContact CG2-CD1 3.63Å; T141-L206 HydrophobicContact CG2-CD2 4.4Å; T141-L206 HydrophobicContact CG2-CG 3.98Å; T141-F207 WeakPolarHBondContact CA-O 3.45Å; T141-F207 WeakPolarHBondContact CG2-O 3.07Å; T141-R208 PolarHBondContact OG1-NE 3.28Å; T141-R208 PolarHBondContact OG1-NH2 3.35Å; T141-I246 HydrophobicContact CG2-CD1 4.38Å
142	W	98.3	Very high	95.1	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	-178.9	-77.7	95.6	0	0	0	110.4	L122 L124 E132 V133 V140 V144 K174 L206 F207	L122-W142 HydrophobicContact CB-CZ3 4.43Å; L122-W142 HydrophobicContact CD2-CH2 3.84Å; L122-W142 HydrophobicContact CD2-CZ3 4.33Å; L124-W142 HydrophobicContact CD2-CZ3 4.48Å; E132-W142 HydrophobicContact CB-CH2 4.27Å; E132-W142 HydrophobicContact CB-CZ2 3.72Å; E132-W142 PolarHBondContact O-NE1 3.49Å; V133-W142 HydrophobicContact CB-CG 4.42Å; V133-W142 HydrophobicContact CG1-CB 4.01Å; V133-W142 HydrophobicContact CG1-CG 4.13Å; V133-W142 HydrophobicContact CG2-CB 4.5Å; V133-W142 HydrophobicContact CG2-CD2 3.91Å; V133-W142 HydrophobicContact CG2-CE3 4.23Å; V133-W142 HydrophobicContact CG2-CG 4.05Å; V140-W142 HydrophobicContact CG1-CG 4.49Å; W142-V144 HydrophobicContact CB-CG2 4.12Å; W142-K174 CarbonylContact C-O 3.6Å; W142-K174 WeakPolarHBondContact CA-O 3.33Å; W142-K174 HydrophobicContact CD2-CB 3.68Å; W142-K174 HydrophobicContact CD2-CD 4.49Å; W142-K174 HydrophobicContact CE3-CB 3.46Å; W142-K174 VanDerWaalsContact CE3-CB 3.46Å; W142-K174 HydrophobicContact CG-CB 4.49Å; W142-K174 HydrophobicContact CH2-CB 3.74Å; W142-K174 HydrophobicContact CH2-CD 3.45Å; W142-K174 VanDerWaalsContact CH2-CD 3.45Å; W142-K174 HydrophobicContact CH2-CG 4.25Å; W142-K174 HydrophobicContact CZ2-CB 3.95Å; W142-K174 HydrophobicContact CZ2-CD 3.28Å; W142-K174 HydrophobicContact CZ2-CG 4.25Å; W142-K174 HydrophobicContact CZ3-CB 3.5Å; W142-K174 VanDerWaalsContact CZ3-CB 3.5Å; W142-K174 HydrophobicContact CZ3-CD 4.13Å; W142-K174 HydrophobicContact CZ3-CG 4.47Å; W142-L206 CarbonylContact O-C 3.47Å; W142-L206 WeakPolarHBondContact O-CA 3.3Å; W142-F207 HydrophobicContact CB-CB 4.2Å; W142-F207 PolarHBondContact N-O 2.92Å; W142-F207 PolarHBondContact O-N 3.31Å
143	L	98.6	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.7	162.8	-174.9	62.8	0	0	0	108.6	F161 M173 K174 F175 G176 L204 L206 F241 L243	L143-F161 HydrophobicContact CD2-CE2 3.84Å; L143-F161 HydrophobicContact CG-CE2 3.94Å; L143-F161 HydrophobicContact CG-CZ 4.36Å; L143-M173 HydrophobicContact CB-CE 3.62Å; L143-K174 PolarHBondContact N-O 2.89Å; L143-F175 HydrophobicContact CB-CD1 4.27Å; L143-F175 HydrophobicContact CB-CE1 4.3Å; L143-F175 HydrophobicContact CD2-CD1 4.19Å; L143-F175 HydrophobicContact CD2-CE1 3.71Å; L143-F175 HydrophobicContact CD2-CZ 4.49Å; L143-F175 WeakPolarHBondContact O-CA 3.38Å; L143-G176 PolarHBondContact O-N 3.26Å; L143-L204 HydrophobicContact CD1-CB 4.36Å; L143-L206 HydrophobicContact CB-CD1 4.14Å; L143-L206 HydrophobicContact CD1-CB 4.33Å; L143-L206 HydrophobicContact CD1-CD1 4.15Å; L143-F241 HydrophobicContact CD1-CD1 3.72Å; L143-F241 HydrophobicContact CD1-CD2 4.05Å; L143-F241 HydrophobicContact CD1-CE1 3.78Å; L143-F241 HydrophobicContact CD1-CE2 4.14Å; L143-F241 HydrophobicContact CD1-CG 3.87Å; L143-F241 HydrophobicContact CD1-CZ 4Å; L143-F241 HydrophobicContact CD2-CD2 4.25Å; L143-F241 HydrophobicContact CD2-CG 4.45Å; L143-L243 HydrophobicContact CD2-CD2 4.4Å
144	V	98.7	Very high	94.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.6	-174.4	-176.8	0	0	0	0	110.8	L124 F129 V133 W142 F146 G176 I178 L204 I205 F207	L124-V144 HydrophobicContact CD1-CG1 3.97Å; L124-V144 HydrophobicContact CD1-CG2 3.97Å; F129-V144 HydrophobicContact CE2-CG1 4.25Å; F129-V144 HydrophobicContact CE2-CG2 4.38Å; V133-V144 HydrophobicContact CG1-CG2 4.26Å; V133-V144 HydrophobicContact CG2-CG2 4.19Å; W142-V144 HydrophobicContact CB-CG2 4.12Å; V144-F146 HydrophobicContact CB-CE2 3.92Å; V144-F146 HydrophobicContact CG1-CD2 4.15Å; V144-F146 HydrophobicContact CG1-CE2 3.68Å; V144-F146 HydrophobicContact CG1-CZ 4.03Å; V144-G176 CarbonylContact C-O 3.59Å; V144-G176 WeakPolarHBondContact CA-O 3.44Å; V144-I178 HydrophobicContact CG1-CG2 4.09Å; V144-L204 WeakPolarHBondContact O-CA 3.49Å; V144-I205 PolarHBondContact N-O 3.18Å; V144-I205 PolarHBondContact O-N 3.15Å; V144-F207 HydrophobicContact CB-CD2 4.26Å; V144-F207 HydrophobicContact CB-CE2 4.08Å; V144-F207 HydrophobicContact CG2-CD2 3.89Å; V144-F207 HydrophobicContact CG2-CE2 4.12Å
145	A	98.5	Very high	94.4	Very high	4 Å²	4	47 Å²	47	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.8	173.3	0	0	0	0	0	111.7	F161 G176 K177 I178 L204	A145-F161 HydrophobicContact CB-CD1 4.21Å; A145-F161 HydrophobicContact CB-CE1 3.81Å; A145-F161 HydrophobicContact CB-CE2 4.25Å; A145-F161 HydrophobicContact CB-CZ 3.82Å; A145-G176 PolarHBondContact N-O 2.97Å; A145-K177 HydrophobicContact CB-CB 4.23Å; A145-K177 CarbonylContact O-C 3.52Å; A145-K177 VanDerWaalsContact O-CA 3.25Å; A145-K177 WeakPolarHBondContact O-CA 3.28Å; A145-I178 PolarHBondContact O-N 3.29Å; A145-L204 VanDerWaalsContact CA-CD2 3.46Å; A145-L204 HydrophobicContact CB-CD2 3.35Å
146	F	98.2	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.4	171.6	-62.4	-103.9	0	0	0	107.8	F129 V144 I178 V180 I186 Y190 I192 P202 T203 I205 F207	F129-F146 AromaticContact CE2-CZ 3.96Å; F129-F146 HydrophobicContact CE2-CZ 3.96Å; F129-F146 HydrophobicContact CZ-CZ 4.16Å; V144-F146 HydrophobicContact CB-CE2 3.92Å; V144-F146 HydrophobicContact CG1-CD2 4.15Å; V144-F146 HydrophobicContact CG1-CE2 3.68Å; V144-F146 HydrophobicContact CG1-CZ 4.03Å; F146-I178 HydrophobicContact CB-CG2 4.35Å; F146-I178 HydrophobicContact CD1-CG2 3.38Å; F146-I178 HydrophobicContact CD2-CG2 4.46Å; F146-I178 HydrophobicContact CE1-CG2 3.68Å; F146-I178 HydrophobicContact CG-CG2 3.82Å; F146-I178 HydrophobicContact CZ-CG2 4.33Å; F146-V180 HydrophobicContact CB-CG1 3.78Å; F146-V180 HydrophobicContact CD1-CG1 3.83Å; F146-V180 HydrophobicContact CG-CG1 4.31Å; F146-I186 HydrophobicContact CD1-CG2 4.23Å; F146-I186 HydrophobicContact CE1-CG2 3.62Å; F146-Y190 AromaticContact CE1-CD2 3.97Å; F146-Y190 HydrophobicContact CE1-CD2 3.97Å; F146-Y190 HydrophobicContact CE1-CG 4.42Å; F146-Y190 HydrophobicContact CZ-CD2 4.19Å; F146-Y190 HydrophobicContact CZ-CG 4.44Å; F146-I192 HydrophobicContact CB-CD1 3.57Å; F146-I192 HydrophobicContact CD1-CD1 3.38Å; F146-I192 HydrophobicContact CD2-CD1 4.06Å; F146-I192 HydrophobicContact CE1-CD1 4.05Å; F146-I192 HydrophobicContact CG-CD1 3.39Å; F146-P202 WeakPolarHBondContact O-CA 3.38Å; F146-T203 WeakPolarHBondContact CD2-O 3.37Å; F146-T203 PolarHBondContact N-O 2.96Å; F146-T203 PolarHBondContact O-N 3.23Å; F146-I205 HydrophobicContact CD2-CD1 4.02Å; F146-I205 HydrophobicContact CD2-CG1 3.92Å; F146-I205 HydrophobicContact CE2-CB 3.89Å; F146-I205 HydrophobicContact CE2-CD1 3.57Å; F146-I205 HydrophobicContact CE2-CG1 3.63Å; F146-I205 HydrophobicContact CZ-CD1 4.03Å; F146-F207 AromaticContact CE2-CE2 3.98Å; F146-F207 HydrophobicContact CE2-CE2 3.98Å; F146-F207 HydrophobicContact CE2-CZ 4.36Å; F146-F207 HydrophobicContact CZ-CE2 4.03Å; F146-F207 HydrophobicContact CZ-CZ 4.09Å
147	Y	97.1	Very high	94.2	Very high	25 Å²	25	39.7 Å²	39.7	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.4	-166.8	83.3	-81.9	0	0	0	112.2	Y123 V149 C154 K177 I178 D179 V180	Y123-Y147 HydrophobicContact CE2-CE1 4.43Å; Y123-Y147 WeakPolarHBondContact CE2-OH 3.09Å; Y147-V149 HydrophobicContact CE2-CG1 4.27Å; Y147-C154 HydrophobicContact CD2-CB 4.5Å; Y147-K177 HydrophobicContact CD1-CB 3.96Å; Y147-K177 HydrophobicContact CE1-CB 3.81Å; Y147-K177 HydrophobicContact CE1-CD 4.08Å; Y147-K177 HydrophobicContact CE1-CG 3.86Å; Y147-I178 WeakPolarHBondContact CD1-O 3.02Å; Y147-I178 PolarHBondContact N-O 2.88Å; Y147-D179 HydrophobicContact CE1-CB 4.33Å; Y147-D179 WeakPolarHBondContact O-CA 3.43Å; Y147-V180 WeakPolarHBondContact O-CG2 3.48Å; Y147-V180 PolarHBondContact O-N 3.12Å; Y147-V180 VanDerWaalsContact O-N 3.11Å
148	T	95.4	Very high	94.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.211	C	C	.	.			trans	-131.2	154.4	168.9	65.8	0	0	0	0	110.5	W150 S151 C154 V180 I181 L201	T148-W150 HydrophobicContact CG2-CZ2 3.99Å; T148-S151 WeakPolarHBondContact OG1-CB 3.34Å; T148-S151 PolarHBondContact OG1-N 3.43Å; T148-C154 PolarHBondContact N-SG 3.34Å; T148-C154 VanDerWaalsContact O-CB 3.29Å; T148-C154 WeakPolarHBondContact O-CB 3.39Å; T148-V180 HydrophobicContact CG2-CG2 3.52Å; T148-I181 HydrophobicContact CG2-CD1 3.52Å; T148-I181 HydrophobicContact CG2-CG1 3.74Å; T148-L201 HydrophobicContact CG2-CD1 3.51Å; T148-L201 HydrophobicContact CG2-CD2 4.34Å
149	V	92.1	Very high	94.1	Very high	96 Å²	96	37.7 Å²	37.7	58%	0.582	20%	0.197	S	C	*	.	S	Bend	trans	-72.8	-25.6	-177.3	-63.9	0	0	0	0	114	Y147	Y147-V149 HydrophobicContact CE2-CG1 4.27Å
150	W	90.1	Very high	94.1	Very high	110 Å²	110	31 Å²	31	42%	0.417	17%	0.169	S	C	.	.	S	Bend	trans	-94.2	-11.3	-177.6	52.7	-110.4	0	0	0	113.7	T148 P152 I181 T194 L201	T148-W150 HydrophobicContact CG2-CZ2 3.99Å; W150-P152 VanDerWaalsContact O-CD 3.26Å; W150-P152 WeakPolarHBondContact O-CD 3.49Å; W150-I181 HydrophobicContact CZ2-CD1 4.21Å; W150-T194 WeakPolarHBondContact CZ2-O 3.38Å; W150-L201 HydrophobicContact CH2-CD1 4.02Å; W150-L201 HydrophobicContact CZ2-CD1 4.45Å
151	S	91.7	Very high	94.2	Very high	10 Å²	10	31 Å²	31	7%	0.07	17%	0.168	C	C	.	.			trans	-78.6	117.1	-178.1	171.8	0	0	0	0	110.3	T148 A153 C154 T155	T148-S151 WeakPolarHBondContact OG1-CB 3.34Å; T148-S151 PolarHBondContact OG1-N 3.43Å; S151-A153 PolarHBondContact O-N 3.36Å; S151-C154 VanDerWaalsContact CB-SG 3.54Å; S151-C154 WeakPolarHBondContact O-CA 3.44Å; S151-C154 WeakPolarHBondContact O-CB 3.33Å; S151-C154 PolarHBondContact O-N 3.22Å; S151-C154 PolarHBondContact OG-N 2.71Å; S151-T155 PolarHBondContact O-N 2.93Å; S151-T155 VanDerWaalsContact O-N 3.09Å; S151-T155 PolarHBondContact O-OG1 3.47Å
152	P	89	Confident	94.1	Very high	94 Å²	94	31.4 Å²	31.4	61%	0.61	17%	0.172	S	C	*	.	H	α-helix	trans	-61.4	-30	179.7	-23.5	34.9	0	0	0	112.7	W150 C154 T155 K156	W150-P152 VanDerWaalsContact O-CD 3.26Å; W150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-C154 VanDerWaalsContact C-N 3.34Å; P152-T155 PolarHBondContact O-N 3.44Å; P152-K156 WeakPolarHBondContact O-CG 3.44Å; P152-K156 PolarHBondContact O-N 2.9Å
153	A	90	Very high	93.8	Very high	29 Å²	29	32.8 Å²	32.8	24%	0.24	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-36.7	174.9	0	0	0	0	0	111.6	F67 S151 L157	F67-A153 WeakPolarHBondContact CE2-O 3.41Å; F67-A153 HydrophobicContact CZ-CB 4.24Å; S151-A153 PolarHBondContact O-N 3.36Å; A153-L157 WeakPolarHBondContact O-CB 3.19Å; A153-L157 PolarHBondContact O-N 2.76Å; A153-L157 VanDerWaalsContact O-N 3.08Å
154	C	94.2	Very high	93.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-45.8	174.5	-65.3	0	0	0	0	111.1	Y147 T148 S151 P152 K156 L157 Q158	Y147-C154 HydrophobicContact CD2-CB 4.5Å; T148-C154 PolarHBondContact N-SG 3.34Å; T148-C154 VanDerWaalsContact O-CB 3.29Å; T148-C154 WeakPolarHBondContact O-CB 3.39Å; S151-C154 VanDerWaalsContact CB-SG 3.54Å; S151-C154 WeakPolarHBondContact O-CA 3.44Å; S151-C154 WeakPolarHBondContact O-CB 3.33Å; S151-C154 PolarHBondContact O-N 3.22Å; S151-C154 PolarHBondContact OG-N 2.71Å; P152-C154 VanDerWaalsContact C-N 3.34Å; C154-K156 VanDerWaalsContact C-N 3.3Å; C154-K156 PolarHBondContact O-N 3.12Å; C154-L157 WeakPolarHBondContact O-CB 3.28Å; C154-L157 PolarHBondContact O-N 2.88Å; C154-L157 VanDerWaalsContact O-N 3.08Å; C154-Q158 WeakPolarHBondContact O-CG 3.35Å; C154-Q158 PolarHBondContact O-N 3Å; C154-Q158 VanDerWaalsContact O-N 3.15Å
155	T	91.2	Very high	93.5	Very high	72 Å²	72	32.8 Å²	32.8	44%	0.442	18%	0.178	S	C	.	.	H	α-helix	trans	-58.4	-41.6	176.6	-49.6	0	0	0	0	111.9	S151 P152 L157 Q158 P159	S151-T155 PolarHBondContact O-N 2.93Å; S151-T155 VanDerWaalsContact O-N 3.09Å; S151-T155 PolarHBondContact O-OG1 3.47Å; P152-T155 PolarHBondContact O-N 3.44Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.38Å; T155-Q158 PolarHBondContact O-N 3.33Å; T155-P159 WeakPolarHBondContact O-CD 3.43Å
156	K	90.5	Very high	93.3	Very high	54 Å²	54	35.8 Å²	35.8	24%	0.235	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-30.7	175.7	-72.6	-177.3	179.2	-167.4	0	113.6	F67 P152 C154 P159	F67-K156 HydrophobicContact CD2-CB 3.62Å; F67-K156 HydrophobicContact CE2-CB 3.82Å; F67-K156 HydrophobicContact CG-CB 4.27Å; P152-K156 WeakPolarHBondContact O-CG 3.44Å; P152-K156 PolarHBondContact O-N 2.9Å; C154-K156 VanDerWaalsContact C-N 3.3Å; C154-K156 PolarHBondContact O-N 3.12Å; K156-P159 WeakPolarHBondContact O-CD 3.33Å
157	L	93.6	Very high	93.1	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-35.4	177.4	175.4	67.3	0	0	0	112	F67 A153 C154 T155 I160 F161 P202 L204 F232 M237	F67-L157 HydrophobicContact CE2-CB 4.32Å; A153-L157 WeakPolarHBondContact O-CB 3.19Å; A153-L157 PolarHBondContact O-N 2.76Å; A153-L157 VanDerWaalsContact O-N 3.08Å; C154-L157 WeakPolarHBondContact O-CB 3.28Å; C154-L157 PolarHBondContact O-N 2.88Å; C154-L157 VanDerWaalsContact O-N 3.08Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 3.38Å; L157-I160 PolarHBondContact O-N 3.3Å; L157-I160 VanDerWaalsContact O-N 3.14Å; L157-F161 HydrophobicContact CD1-CB 4.39Å; L157-F161 HydrophobicContact CG-CB 4.23Å; L157-F161 WeakPolarHBondContact O-CB 3.37Å; L157-F161 PolarHBondContact O-N 2.94Å; L157-P202 HydrophobicContact CB-CG 4.09Å; L157-P202 HydrophobicContact CD2-CB 3.49Å; L157-P202 VanDerWaalsContact CD2-CB 3.49Å; L157-P202 HydrophobicContact CD2-CG 3.44Å; L157-P202 VanDerWaalsContact CD2-CG 3.44Å; L157-P202 HydrophobicContact CG-CG 4.33Å; L157-L204 HydrophobicContact CD1-CD1 4.36Å; L157-L204 HydrophobicContact CD2-CD2 3.85Å; L157-L204 HydrophobicContact CD2-CG 4.25Å; L157-F232 HydrophobicContact CD1-CB 3.93Å; L157-F232 HydrophobicContact CD1-CD1 4.01Å; L157-F232 HydrophobicContact CD1-CG 4.15Å; L157-M237 HydrophobicContact CD1-CE 4.06Å; L157-M237 HydrophobicContact CD1-SD 3.64Å
158	Q	93.4	Very high	93	Very high	91 Å²	91	38.1 Å²	38.1	43%	0.425	20%	0.203	S	C	.	.	H	α-helix	trans	-46.6	-55.2	-174.3	-74.8	176.8	-45.5	0	0	114.8	C154 T155 I160 F161 A162	C154-Q158 WeakPolarHBondContact O-CG 3.35Å; C154-Q158 PolarHBondContact O-N 3Å; C154-Q158 VanDerWaalsContact O-N 3.15Å; T155-Q158 PolarHBondContact O-N 3.33Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 PolarHBondContact O-N 3.14Å; Q158-F161 PolarHBondContact O-N 2.85Å; Q158-A162 WeakPolarHBondContact O-CB 3.46Å; Q158-A162 PolarHBondContact O-N 3.33Å
159	P	91.8	Very high	93	Very high	32 Å²	32	38.7 Å²	38.7	21%	0.208	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-41.5	-178.5	23.2	-34.1	0	0	0	112.2	T155 K156 F161 A162 E163	T155-P159 WeakPolarHBondContact O-CD 3.43Å; K156-P159 WeakPolarHBondContact O-CD 3.33Å; P159-F161 VanDerWaalsContact C-N 3.34Å; P159-F161 PolarHBondContact O-N 3.49Å; P159-A162 WeakPolarHBondContact O-CB 3.35Å; P159-A162 PolarHBondContact O-N 3.22Å; P159-E163 WeakPolarHBondContact O-CG 3.47Å; P159-E163 PolarHBondContact O-N 3.47Å
160	I	92.2	Very high	93.1	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-68.6	-38.4	-178.8	-44.9	177.2	0	0	0	110.5	F67 L157 Q158 E163 L164 F232 W234 M237	F67-I160 HydrophobicContact CB-CD1 3.61Å; F67-I160 HydrophobicContact CD2-CD1 4.38Å; L157-I160 PolarHBondContact O-N 3.3Å; L157-I160 VanDerWaalsContact O-N 3.14Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 PolarHBondContact O-N 3.14Å; I160-E163 PolarHBondContact O-N 2.83Å; I160-L164 WeakPolarHBondContact O-CG 3.4Å; I160-L164 PolarHBondContact O-N 2.9Å; I160-F232 WeakPolarHBondContact CD1-O 3.42Å; I160-W234 HydrophobicContact CG2-CB 4.1Å; I160-W234 HydrophobicContact CG2-CE3 3.92Å; I160-M237 HydrophobicContact CB-CE 3.79Å; I160-M237 HydrophobicContact CG2-CE 3.16Å
161	F	96.1	Very high	93.2	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-37.8	177.4	-164.4	-110	0	0	0	112.3	V121 L143 A145 L157 Q158 P159 L164 S165 F175 G176 L204	V121-F161 HydrophobicContact CG1-CD1 4Å; V121-F161 HydrophobicContact CG1-CE1 3.74Å; V121-F161 HydrophobicContact CG2-CD1 3.82Å; V121-F161 HydrophobicContact CG2-CE1 4.08Å; L143-F161 HydrophobicContact CD2-CE2 3.84Å; L143-F161 HydrophobicContact CG-CE2 3.94Å; L143-F161 HydrophobicContact CG-CZ 4.36Å; A145-F161 HydrophobicContact CB-CD1 4.21Å; A145-F161 HydrophobicContact CB-CE1 3.81Å; A145-F161 HydrophobicContact CB-CE2 4.25Å; A145-F161 HydrophobicContact CB-CZ 3.82Å; L157-F161 HydrophobicContact CD1-CB 4.39Å; L157-F161 HydrophobicContact CG-CB 4.23Å; L157-F161 WeakPolarHBondContact O-CB 3.37Å; L157-F161 PolarHBondContact O-N 2.94Å; Q158-F161 PolarHBondContact O-N 2.85Å; P159-F161 VanDerWaalsContact C-N 3.34Å; P159-F161 PolarHBondContact O-N 3.49Å; F161-L164 PolarHBondContact O-N 3.49Å; F161-S165 PolarHBondContact O-N 2.87Å; F161-F175 HydrophobicContact CD2-CD1 4.38Å; F161-F175 HydrophobicContact CE1-CB 4.27Å; F161-F175 HydrophobicContact CE1-CD1 4.28Å; F161-F175 AromaticContact CE2-CD1 3.8Å; F161-F175 HydrophobicContact CE2-CD1 3.8Å; F161-F175 HydrophobicContact CE2-CE1 4.35Å; F161-F175 HydrophobicContact CZ-CB 4.26Å; F161-F175 AromaticContact CZ-CD1 3.75Å; F161-F175 HydrophobicContact CZ-CD1 3.75Å; F161-F175 HydrophobicContact CZ-CG 4.49Å; F161-G176 WeakPolarHBondContact CE1-O 3.29Å; F161-L204 HydrophobicContact CD2-CD1 4.43Å; F161-L204 HydrophobicContact CD2-CD2 4.09Å; F161-L204 HydrophobicContact CE2-CD1 4.43Å; F161-L204 HydrophobicContact CE2-CD2 3.75Å; F161-L204 HydrophobicContact CZ-CD2 4.37Å
162	A	95	Very high	93.3	Very high	10 Å²	10	39.2 Å²	39.2	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-48.4	172	0	0	0	0	0	111.1	Y115 D119 Q158 P159 L164 S165 E166	Y115-A162 HydrophobicContact CD1-CB 3.79Å; Y115-A162 HydrophobicContact CE1-CB 3.75Å; D119-A162 HydrophobicContact CB-CB 3.63Å; Q158-A162 WeakPolarHBondContact O-CB 3.46Å; Q158-A162 PolarHBondContact O-N 3.33Å; P159-A162 WeakPolarHBondContact O-CB 3.35Å; P159-A162 PolarHBondContact O-N 3.22Å; A162-L164 VanDerWaalsContact C-N 3.33Å; A162-L164 PolarHBondContact O-N 2.68Å; A162-S165 WeakPolarHBondContact O-CB 3.32Å; A162-S165 PolarHBondContact O-N 2.99Å; A162-S165 VanDerWaalsContact O-N 3.16Å; A162-S165 PolarHBondContact O-OG 2.88Å; A162-E166 PolarHBondContact O-N 3.41Å; A162-E166 VanDerWaalsContact O-N 3.11Å
163	E	92.3	Very high	93.6	Very high	34 Å²	34	34.9 Å²	34.9	16%	0.159	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-40.6	175.8	-74.5	-174.6	-124.8	0	0	112.9	R5 Y115 P159 I160 S165 E166 E167 W234	R5-E163 IonicContact NH1-OE2 2.73Å; R5-E163 PolarHBondContact NH1-OE2 3.38Å; R5-E163 VanDerWaalsContact NH1-OE2 3.14Å; Y115-E163 HydrophobicContact CD1-CG 4.32Å; Y115-E163 HydrophobicContact CD2-CG 3.35Å; Y115-E163 HydrophobicContact CE1-CG 4.24Å; Y115-E163 HydrophobicContact CE2-CB 4.5Å; Y115-E163 HydrophobicContact CE2-CG 3.26Å; Y115-E163 HydrophobicContact CG-CG 3.9Å; P159-E163 WeakPolarHBondContact O-CG 3.47Å; P159-E163 PolarHBondContact O-N 3.47Å; I160-E163 PolarHBondContact O-N 2.83Å; E163-S165 VanDerWaalsContact C-N 3.28Å; E163-S165 PolarHBondContact O-N 3.21Å; E163-E166 PolarHBondContact O-N 3.24Å; E163-E167 PolarHBondContact O-N 2.84Å; E163-E167 VanDerWaalsContact O-N 3.08Å; E163-W234 HydrophobicContact CB-CE3 4.31Å; E163-W234 HydrophobicContact CB-CH2 4.27Å; E163-W234 HydrophobicContact CB-CZ3 3.5Å; E163-W234 VanDerWaalsContact CB-CZ3 3.5Å
164	L	94.9	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-39.4	177.5	-77.3	174.3	0	0	0	110.7	I160 F161 A162 E166 E167 F168 F175 W234 M237 I238 L243	I160-L164 WeakPolarHBondContact O-CG 3.4Å; I160-L164 PolarHBondContact O-N 2.9Å; F161-L164 PolarHBondContact O-N 3.49Å; A162-L164 VanDerWaalsContact C-N 3.33Å; A162-L164 PolarHBondContact O-N 2.68Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 3.02Å; L164-E167 PolarHBondContact O-N 3.02Å; L164-F168 HydrophobicContact CD2-CD2 3.75Å; L164-F168 HydrophobicContact CD2-CE2 3.66Å; L164-F168 WeakPolarHBondContact O-CB 3.38Å; L164-F168 WeakPolarHBondContact O-CD2 3.25Å; L164-F168 PolarHBondContact O-N 3.4Å; L164-F175 HydrophobicContact CB-CE1 3.82Å; L164-F175 HydrophobicContact CB-CZ 4.33Å; L164-W234 HydrophobicContact CB-CZ3 4.17Å; L164-W234 HydrophobicContact CD2-CD2 3.95Å; L164-W234 HydrophobicContact CD2-CE3 3.59Å; L164-W234 HydrophobicContact CD2-CH2 3.62Å; L164-W234 HydrophobicContact CD2-CZ2 3.98Å; L164-W234 HydrophobicContact CD2-CZ3 3.41Å; L164-W234 VanDerWaalsContact CD2-CZ3 3.41Å; L164-W234 HydrophobicContact CG-CE3 3.75Å; L164-W234 HydrophobicContact CG-CH2 4.17Å; L164-W234 HydrophobicContact CG-CZ3 3.53Å; L164-M237 HydrophobicContact CD1-CB 3.81Å; L164-M237 HydrophobicContact CD1-CE 3.45Å; L164-M237 VanDerWaalsContact CD1-CE 3.45Å; L164-M237 HydrophobicContact CD1-CG 4.43Å; L164-M237 HydrophobicContact CD1-SD 3.77Å; L164-M237 HydrophobicContact CG-CE 4.48Å; L164-I238 HydrophobicContact CD2-CD1 4.25Å; L164-I238 HydrophobicContact CD2-CG1 3.78Å; L164-L243 HydrophobicContact CD1-CD1 4.36Å; L164-L243 HydrophobicContact CD2-CD1 3.92Å
165	S	96.8	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-34.6	178.1	79.3	0	0	0	0	112.6	K120 V121 F161 A162 E163 G169	K120-S165 PolarHBondContact N-OG 3.23Å; V121-S165 WeakPolarHBondContact CG2-OG 3.22Å; F161-S165 PolarHBondContact O-N 2.87Å; A162-S165 WeakPolarHBondContact O-CB 3.32Å; A162-S165 PolarHBondContact O-N 2.99Å; A162-S165 VanDerWaalsContact O-N 3.16Å; A162-S165 PolarHBondContact O-OG 2.88Å; E163-S165 VanDerWaalsContact C-N 3.28Å; E163-S165 PolarHBondContact O-N 3.21Å; S165-G169 WeakPolarHBondContact O-CA 3.44Å; S165-G169 PolarHBondContact O-N 3.48Å
166	E	94.6	Very high	94.6	Very high	67 Å²	67	33.5 Å²	33.5	31%	0.313	17%	0.172	S	C	.	.	H	α-helix	trans	-73.3	-43.9	178.2	-177.2	50.6	-142.2	0	0	111.3	P118 K120 A162 E163 L164	P118-E166 HydrophobicContact CG-CG 4.37Å; K120-E166 WeakPolarHBondContact CE-OE2 3.33Å; K120-E166 PolarHBondContact NZ-O 3.29Å; K120-E166 IonicContact NZ-OE1 2.81Å; K120-E166 PolarHBondContact NZ-OE1 3.27Å; K120-E166 IonicContact NZ-OE2 3.23Å; K120-E166 PolarHBondContact NZ-OE2 3.31Å; A162-E166 PolarHBondContact O-N 3.41Å; A162-E166 VanDerWaalsContact O-N 3.11Å; E163-E166 PolarHBondContact O-N 3.24Å; L164-E166 VanDerWaalsContact C-N 3.29Å; L164-E166 PolarHBondContact O-N 3.02Å
167	E	92.7	Very high	94.9	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-71.5	-43.9	-177.4	-170.4	79.3	-162	0	0	112.8	R5 E163 L164 W234 Y247	R5-E167 IonicContact CZ-OE2 2.87Å; R5-E167 IonicContact NH2-OE2 3.94Å; R5-E167 PolarHBondContact NH2-OE2 2.92Å; E163-E167 PolarHBondContact O-N 2.84Å; E163-E167 VanDerWaalsContact O-N 3.08Å; L164-E167 PolarHBondContact O-N 3.02Å; E167-W234 HydrophobicContact CB-CH2 3.98Å; E167-W234 HydrophobicContact CB-CZ2 4.49Å; E167-W234 HydrophobicContact CG-CH2 4.31Å; E167-W234 HydrophobicContact CG-CZ2 4.32Å; E167-Y247 WeakPolarHBondContact O-CE2 3.35Å
168	F	95.8	Very high	95.2	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.044	17%	0.172	C	C	.	.	H	α-helix	trans	-106.3	-7.6	-172.7	-64.3	-80.5	0	0	0	113.6	L164 T170 F175 W234 I238 L243 N244 Y247	L164-F168 HydrophobicContact CD2-CD2 3.75Å; L164-F168 HydrophobicContact CD2-CE2 3.66Å; L164-F168 WeakPolarHBondContact O-CB 3.38Å; L164-F168 WeakPolarHBondContact O-CD2 3.25Å; L164-F168 PolarHBondContact O-N 3.4Å; F168-T170 PolarHBondContact O-N 3.31Å; F168-F175 HydrophobicContact CB-CE2 3.98Å; F168-F175 HydrophobicContact CB-CZ 3.83Å; F168-W234 HydrophobicContact CE2-CH2 4.19Å; F168-W234 AromaticContact CE2-CZ2 3.91Å; F168-W234 HydrophobicContact CE2-CZ2 3.91Å; F168-I238 HydrophobicContact CE2-CD1 3.63Å; F168-I238 HydrophobicContact CE2-CG1 3.74Å; F168-I238 HydrophobicContact CZ-CD1 3.58Å; F168-I238 HydrophobicContact CZ-CG1 3.81Å; F168-I238 HydrophobicContact CZ-CG2 4.46Å; F168-L243 HydrophobicContact CD1-CB 3.82Å; F168-L243 HydrophobicContact CD2-CB 4.4Å; F168-L243 HydrophobicContact CD2-CD1 4.15Å; F168-L243 HydrophobicContact CE1-CB 3.93Å; F168-L243 HydrophobicContact CE2-CD1 4.49Å; F168-L243 HydrophobicContact CG-CB 4.07Å; F168-L243 HydrophobicContact CG-CD1 4.4Å; F168-L243 HydrophobicContact CZ-CB 4.28Å; F168-N244 VanDerWaalsContact CE1-OD1 3.31Å; F168-N244 WeakPolarHBondContact CE1-OD1 3.41Å; F168-N244 WeakPolarHBondContact CZ-OD1 3.46Å; F168-Y247 HydrophobicContact CD1-CD2 4.34Å; F168-Y247 HydrophobicContact CD1-CG 4.11Å
169	G	94.9	Very high	95.4	Very high	13 Å²	13	29.4 Å²	29.4	13%	0.134	15%	0.152	C	C	.	.			trans	-67	120.4	178.3	0	0	0	0	0	111.7	S165 M173	S165-G169 WeakPolarHBondContact O-CA 3.44Å; S165-G169 PolarHBondContact O-N 3.48Å; G169-M173 WeakPolarHBondContact CA-O 3.44Å
170	T	94.6	Very high	95.5	Very high	45 Å²	45	28 Å²	28	28%	0.276	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	-138.6	172.9	176.5	61.9	0	0	0	0	109.4	F168 L172 M173 Y247	F168-T170 PolarHBondContact O-N 3.31Å; T170-L172 PolarHBondContact O-N 3.49Å; T170-M173 PolarHBondContact N-O 3.38Å; T170-M173 CarbonylContact O-C 3.37Å; T170-M173 PolarHBondContact O-N 3Å; T170-M173 VanDerWaalsContact O-N 3.12Å; T170-M173 WeakPolarHBondContact OG1-CB 3.39Å; T170-M173 PolarHBondContact OG1-N 3.21Å; T170-M173 VanDerWaalsContact OG1-N 3.11Å; T170-Y247 HydrophobicContact CG2-CD2 3.77Å; T170-Y247 HydrophobicContact CG2-CE2 3.62Å
171	D	92.2	Very high	95.6	Very high	144 Å²	144	31 Å²	31	77%	0.77	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	177.9	-61.4	-32.7	0	0	0	113.3
172	L	94.1	Very high	95.6	Very high	39 Å²	39	38.7 Å²	38.7	20%	0.204	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-3.3	-177.9	-63.5	175.5	0	0	0	113.6	K139 V140 T141 T170 Q250	K139-L172 HydrophobicContact CB-CD2 3.86Å; V140-L172 HydrophobicContact CG2-CD2 4.13Å; T141-L172 PolarHBondContact N-O 3.3Å; T170-L172 PolarHBondContact O-N 3.49Å; L172-Q250 HydrophobicContact CB-CG 4.07Å; L172-Q250 VanDerWaalsContact CB-OE1 3.26Å
173	M	95.8	Very high	95.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	103.7	173	-179.8	62.9	-167.9	0	0	109.4	T141 L143 G169 T170 F175 L206 L243 I246	T141-M173 HydrophobicContact CG2-SD 3.9Å; T141-M173 CarbonylContact O-C 3.59Å; T141-M173 WeakPolarHBondContact O-CA 3.35Å; L143-M173 HydrophobicContact CB-CE 3.62Å; G169-M173 WeakPolarHBondContact CA-O 3.44Å; T170-M173 PolarHBondContact N-O 3.38Å; T170-M173 CarbonylContact O-C 3.37Å; T170-M173 PolarHBondContact O-N 3Å; T170-M173 VanDerWaalsContact O-N 3.12Å; T170-M173 WeakPolarHBondContact OG1-CB 3.39Å; T170-M173 PolarHBondContact OG1-N 3.21Å; T170-M173 VanDerWaalsContact OG1-N 3.11Å; M173-F175 HydrophobicContact CE-CE1 4.49Å; M173-F175 HydrophobicContact CE-CE2 3.88Å; M173-F175 HydrophobicContact CE-CZ 3.83Å; M173-F175 HydrophobicContact CG-CE2 3.94Å; M173-L206 HydrophobicContact CE-CD1 4.13Å; M173-L243 HydrophobicContact CE-CD2 3.64Å; M173-I246 HydrophobicContact CB-CG2 4.28Å; M173-I246 HydrophobicContact CG-CG2 4.29Å; M173-I246 HydrophobicContact SD-CG2 4Å
174	K	97.8	Very high	95.8	Very high	74 Å²	74	41.8 Å²	41.8	32%	0.322	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.6	-176.4	-66.3	-172.9	179.5	-176.8	0	111.6	E132 V140 T141 W142 L143	E132-K174 IonicContact OE2-NZ 3.36Å; V140-K174 HydrophobicContact CG1-CB 4.26Å; V140-K174 HydrophobicContact CG1-CD 3.9Å; V140-K174 HydrophobicContact CG1-CG 3.87Å; T141-K174 PolarHBondContact O-N 3.36Å; W142-K174 CarbonylContact C-O 3.6Å; W142-K174 WeakPolarHBondContact CA-O 3.33Å; W142-K174 HydrophobicContact CD2-CB 3.68Å; W142-K174 HydrophobicContact CD2-CD 4.49Å; W142-K174 HydrophobicContact CE3-CB 3.46Å; W142-K174 VanDerWaalsContact CE3-CB 3.46Å; W142-K174 HydrophobicContact CG-CB 4.49Å; W142-K174 HydrophobicContact CH2-CB 3.74Å; W142-K174 HydrophobicContact CH2-CD 3.45Å; W142-K174 VanDerWaalsContact CH2-CD 3.45Å; W142-K174 HydrophobicContact CH2-CG 4.25Å; W142-K174 HydrophobicContact CZ2-CB 3.95Å; W142-K174 HydrophobicContact CZ2-CD 3.28Å; W142-K174 HydrophobicContact CZ2-CG 4.25Å; W142-K174 HydrophobicContact CZ3-CB 3.5Å; W142-K174 VanDerWaalsContact CZ3-CB 3.5Å; W142-K174 HydrophobicContact CZ3-CD 4.13Å; W142-K174 HydrophobicContact CZ3-CG 4.47Å; L143-K174 PolarHBondContact N-O 2.89Å
175	F	98.7	Very high	95.8	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.7	179.1	-71.6	-108.3	0	0	0	108.9	V121 L122 L143 F161 L164 F168 M173 L243	V121-F175 HydrophobicContact CG2-CB 4.35Å; L122-F175 PolarHBondContact N-O 3.33Å; L143-F175 HydrophobicContact CB-CD1 4.27Å; L143-F175 HydrophobicContact CB-CE1 4.3Å; L143-F175 HydrophobicContact CD2-CD1 4.19Å; L143-F175 HydrophobicContact CD2-CE1 3.71Å; L143-F175 HydrophobicContact CD2-CZ 4.49Å; L143-F175 WeakPolarHBondContact O-CA 3.38Å; F161-F175 HydrophobicContact CD2-CD1 4.38Å; F161-F175 HydrophobicContact CE1-CB 4.27Å; F161-F175 HydrophobicContact CE1-CD1 4.28Å; F161-F175 AromaticContact CE2-CD1 3.8Å; F161-F175 HydrophobicContact CE2-CD1 3.8Å; F161-F175 HydrophobicContact CE2-CE1 4.35Å; F161-F175 HydrophobicContact CZ-CB 4.26Å; F161-F175 AromaticContact CZ-CD1 3.75Å; F161-F175 HydrophobicContact CZ-CD1 3.75Å; F161-F175 HydrophobicContact CZ-CG 4.49Å; L164-F175 HydrophobicContact CB-CE1 3.82Å; L164-F175 HydrophobicContact CB-CZ 4.33Å; F168-F175 HydrophobicContact CB-CE2 3.98Å; F168-F175 HydrophobicContact CB-CZ 3.83Å; M173-F175 HydrophobicContact CE-CE1 4.49Å; M173-F175 HydrophobicContact CE-CE2 3.88Å; M173-F175 HydrophobicContact CE-CZ 3.83Å; M173-F175 HydrophobicContact CG-CE2 3.94Å; F175-L243 HydrophobicContact CZ-CD1 4.45Å
176	G	98.4	Very high	95.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.4	-179.4	0	0	0	0	0	111.8	L122 L143 V144 A145 F161	L122-G176 CarbonylContact O-C 3.59Å; L122-G176 VanDerWaalsContact O-CA 3.25Å; L122-G176 WeakPolarHBondContact O-CA 3.23Å; L143-G176 PolarHBondContact O-N 3.26Å; V144-G176 CarbonylContact C-O 3.59Å; V144-G176 WeakPolarHBondContact CA-O 3.44Å; A145-G176 PolarHBondContact N-O 2.97Å; F161-G176 WeakPolarHBondContact CE1-O 3.29Å
177	K	98.4	Very high	95.7	Very high	59 Å²	59	46 Å²	46	26%	0.257	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.4	169.7	68	-174.5	173.2	-165.2	0	110.7	V121 L122 Y123 L124 A145 Y147	V121-K177 HydrophobicContact CG1-CB 3.95Å; V121-K177 HydrophobicContact CG1-CD 3.82Å; V121-K177 HydrophobicContact CG1-CG 3.8Å; L122-K177 PolarHBondContact O-N 3.16Å; Y123-K177 HydrophobicContact CD2-CG 4.12Å; L124-K177 PolarHBondContact N-O 2.97Å; A145-K177 HydrophobicContact CB-CB 4.23Å; A145-K177 CarbonylContact O-C 3.52Å; A145-K177 VanDerWaalsContact O-CA 3.25Å; A145-K177 WeakPolarHBondContact O-CA 3.28Å; Y147-K177 HydrophobicContact CD1-CB 3.96Å; Y147-K177 HydrophobicContact CE1-CB 3.81Å; Y147-K177 HydrophobicContact CE1-CD 4.08Å; Y147-K177 HydrophobicContact CE1-CG 3.86Å
178	I	98.1	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.6	179.1	-171.1	150.3	0	0	0	111.1	L124 F129 V144 A145 F146 Y147 V180 Y183 I186	L124-I178 HydrophobicContact CB-CB 4.32Å; L124-I178 HydrophobicContact CB-CD1 4.32Å; L124-I178 WeakPolarHBondContact O-CD1 3.48Å; L124-I178 VanDerWaalsContact O-CG1 3.25Å; L124-I178 WeakPolarHBondContact O-CG1 3.31Å; F129-I178 HydrophobicContact CB-CD1 4.18Å; F129-I178 HydrophobicContact CG-CD1 4.46Å; V144-I178 HydrophobicContact CG1-CG2 4.09Å; A145-I178 PolarHBondContact O-N 3.29Å; F146-I178 HydrophobicContact CB-CG2 4.35Å; F146-I178 HydrophobicContact CD1-CG2 3.38Å; F146-I178 HydrophobicContact CD2-CG2 4.46Å; F146-I178 HydrophobicContact CE1-CG2 3.68Å; F146-I178 HydrophobicContact CG-CG2 3.82Å; F146-I178 HydrophobicContact CZ-CG2 4.33Å; Y147-I178 WeakPolarHBondContact CD1-O 3.02Å; Y147-I178 PolarHBondContact N-O 2.88Å; I178-V180 PolarHBondContact O-N 3.43Å; I178-Y183 HydrophobicContact CD1-CD2 4.08Å; I178-Y183 HydrophobicContact CG1-CD2 3.84Å; I178-I186 HydrophobicContact CD1-CD1 3.25Å; I178-I186 HydrophobicContact CD1-CG2 4.44Å; I178-I186 HydrophobicContact CG1-CD1 4.33Å
179	D	97.3	Very high	95.7	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106.8	176.5	-174.9	-15	0	0	0	109.6	Y123 Y147 I181 R182 Y183	Y123-D179 HydrophobicContact CE2-CB 4.41Å; Y147-D179 HydrophobicContact CE1-CB 4.33Å; Y147-D179 WeakPolarHBondContact O-CA 3.43Å; D179-I181 PolarHBondContact O-N 3.47Å; D179-I181 WeakPolarHBondContact OD1-CB 3.39Å; D179-I181 PolarHBondContact OD1-N 3.24Å; D179-R182 HydrophobicContact CB-CB 4.2Å; D179-R182 HydrophobicContact CB-CG 4.16Å; D179-R182 PolarHBondContact O-N 2.88Å; D179-R182 WeakPolarHBondContact OD2-CD 3.48Å; D179-R182 WeakPolarHBondContact OD2-CG 3.06Å; D179-R182 IonicContact OD2-NE 3.87Å; D179-R182 PolarHBondContact OD2-NE 3.49Å; D179-Y183 WeakPolarHBondContact O-CD2 3.45Å; D179-Y183 PolarHBondContact O-N 3.46Å
180	V	95.8	Very high	95.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.1	-175.8	-66.9	0	0	0	0	113.8	F146 Y147 T148 I178 Y183 T194 L201	F146-V180 HydrophobicContact CB-CG1 3.78Å; F146-V180 HydrophobicContact CD1-CG1 3.83Å; F146-V180 HydrophobicContact CG-CG1 4.31Å; Y147-V180 WeakPolarHBondContact O-CG2 3.48Å; Y147-V180 PolarHBondContact O-N 3.12Å; Y147-V180 VanDerWaalsContact O-N 3.11Å; T148-V180 HydrophobicContact CG2-CG2 3.52Å; I178-V180 PolarHBondContact O-N 3.43Å; V180-Y183 CarbonylContact O-C 3.5Å; V180-T194 HydrophobicContact CB-CG2 3.94Å; V180-T194 HydrophobicContact CG2-CG2 3.54Å; V180-L201 HydrophobicContact CG2-CD2 3.95Å
181	I	93.9	Very high	95.4	Very high	77 Å²	77	56 Å²	56	40%	0.395	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-37.7	171.8	-68.9	162	0	0	0	110.3	T148 W150 D179 Y183	T148-I181 HydrophobicContact CG2-CD1 3.52Å; T148-I181 HydrophobicContact CG2-CG1 3.74Å; W150-I181 HydrophobicContact CZ2-CD1 4.21Å; D179-I181 PolarHBondContact O-N 3.47Å; D179-I181 WeakPolarHBondContact OD1-CB 3.39Å; D179-I181 PolarHBondContact OD1-N 3.24Å; I181-Y183 VanDerWaalsContact C-N 3.31Å
182	R	96	Very high	95.5	Very high	169 Å²	169	49.6 Å²	49.6	64%	0.638	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.3	177.2	-68.9	177.9	-176.9	-91.2	2.3	112.1	Y123 D179	Y123-R182 WeakPolarHBondContact OH-CD 3.37Å; D179-R182 HydrophobicContact CB-CB 4.2Å; D179-R182 HydrophobicContact CB-CG 4.16Å; D179-R182 PolarHBondContact O-N 2.88Å; D179-R182 WeakPolarHBondContact OD2-CD 3.48Å; D179-R182 WeakPolarHBondContact OD2-CG 3.06Å; D179-R182 IonicContact OD2-NE 3.87Å; D179-R182 PolarHBondContact OD2-NE 3.49Å
183	Y	96	Very high	95.3	Very high	43 Å²	43	51 Å²	51	17%	0.169	25%	0.25	C	S	.	.			trans	-127.2	71.5	-177.8	-53	-69.8	0	0	0	111.3	R125 D126 I178 D179 V180 I181 D185 I186	R125-Y183 HydrophobicContact CB-CE1 4.29Å; R125-Y183 HydrophobicContact CB-CE2 4.21Å; R125-Y183 WeakPolarHBondContact CB-OH 3.18Å; R125-Y183 WeakPolarHBondContact CD-OH 3.35Å; R125-Y183 HydrophobicContact CG-CE2 4.48Å; R125-Y183 VanDerWaalsContact CG-OH 3.23Å; R125-Y183 WeakPolarHBondContact CG-OH 3.39Å; D126-Y183 HydrophobicContact CB-CD1 3.7Å; D126-Y183 HydrophobicContact CB-CE1 4.11Å; D126-Y183 HydrophobicContact CB-CG 4.3Å; D126-Y183 WeakPolarHBondContact OD1-CE1 3.46Å; I178-Y183 HydrophobicContact CD1-CD2 4.08Å; I178-Y183 HydrophobicContact CG1-CD2 3.84Å; D179-Y183 WeakPolarHBondContact O-CD2 3.45Å; D179-Y183 PolarHBondContact O-N 3.46Å; V180-Y183 CarbonylContact O-C 3.5Å; I181-Y183 VanDerWaalsContact C-N 3.31Å; Y183-D185 VanDerWaalsContact C-N 3.28Å; Y183-D185 PolarHBondContact O-N 2.87Å; Y183-I186 HydrophobicContact CG-CD1 4.18Å; Y183-I186 WeakPolarHBondContact O-CB 3.38Å; Y183-I186 PolarHBondContact O-N 3.44Å
184	P	94.2	Very high	94.9	Very high	66 Å²	66	53.3 Å²	53.3	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-29.7	-175.8	26.6	-35	0	0	0	113.1	I186 S187 V188	P184-I186 PolarHBondContact O-N 2.83Å; P184-S187 PolarHBondContact O-N 3.28Å; P184-S187 PolarHBondContact O-OG 3.16Å; P184-V188 WeakPolarHBondContact O-CG2 3.31Å; P184-V188 PolarHBondContact O-N 3.4Å
185	D	95.7	Very high	94.4	Very high	136 Å²	136	52.3 Å²	52.3	73%	0.727	27%	0.267	S	S	*	.	H	α-helix	trans	-60.7	-32.1	177.6	-61.7	-33.6	0	0	0	112.2	Y183 K189	Y183-D185 VanDerWaalsContact C-N 3.28Å; Y183-D185 PolarHBondContact O-N 2.87Å; D185-K189 VanDerWaalsContact O-CB 3.27Å; D185-K189 WeakPolarHBondContact O-CB 3.44Å; D185-K189 PolarHBondContact O-N 3.44Å
186	I	95.5	Very high	93.7	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-72.4	-40	176.3	-61.7	173.2	0	0	0	110.3	D126 F146 I178 Y183 P184 V188 K189 Y190	D126-I186 HydrophobicContact CB-CD1 3.9Å; F146-I186 HydrophobicContact CD1-CG2 4.23Å; F146-I186 HydrophobicContact CE1-CG2 3.62Å; I178-I186 HydrophobicContact CD1-CD1 3.25Å; I178-I186 HydrophobicContact CD1-CG2 4.44Å; I178-I186 HydrophobicContact CG1-CD1 4.33Å; Y183-I186 HydrophobicContact CG-CD1 4.18Å; Y183-I186 WeakPolarHBondContact O-CB 3.38Å; Y183-I186 PolarHBondContact O-N 3.44Å; P184-I186 PolarHBondContact O-N 2.83Å; I186-V188 VanDerWaalsContact C-N 3.31Å; I186-V188 PolarHBondContact O-N 3.28Å; I186-K189 PolarHBondContact O-N 3.02Å; I186-Y190 HydrophobicContact CG2-CD2 3.85Å; I186-Y190 HydrophobicContact CG2-CE2 4.17Å; I186-Y190 WeakPolarHBondContact O-CD2 3.46Å; I186-Y190 PolarHBondContact O-N 3.49Å
187	S	93.1	Very high	92.9	Very high	6 Å²	6	67.9 Å²	67.9	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-42.5	177.3	80.6	0	0	0	0	110.6	P184 Y190 N191 I192	P184-S187 PolarHBondContact O-N 3.28Å; P184-S187 PolarHBondContact O-OG 3.16Å; S187-Y190 CarbonylContact O-C 3.52Å; S187-Y190 PolarHBondContact O-N 2.96Å; S187-N191 PolarHBondContact O-N 3.49Å; S187-I192 PolarHBondContact O-N 3.38Å
188	V	94.5	Very high	92.2	Very high	104 Å²	104	66 Å²	66	63%	0.63	33%	0.334	S	S	*	.	H	α-helix	trans	-62.1	-49.6	173.4	176.6	0	0	0	0	110.9	P184 I186 Y190 N191	P184-V188 WeakPolarHBondContact O-CG2 3.31Å; P184-V188 PolarHBondContact O-N 3.4Å; I186-V188 VanDerWaalsContact C-N 3.31Å; I186-V188 PolarHBondContact O-N 3.28Å; V188-Y190 VanDerWaalsContact C-N 3.26Å; V188-Y190 PolarHBondContact O-N 2.92Å; V188-N191 PolarHBondContact O-N 3.03Å
189	K	94.6	Very high	91.6	Very high	114 Å²	114	74.4 Å²	74.4	50%	0.496	37%	0.371	S	S	.	.	H	α-helix	trans	-54.3	-40.7	179.1	-178.1	176.8	179.3	178.7	0	112.4	E130 D185 I186	E130-K189 IonicContact OE2-NZ 3.14Å; E130-K189 PolarHBondContact OE2-NZ 3.14Å; D185-K189 VanDerWaalsContact O-CB 3.27Å; D185-K189 WeakPolarHBondContact O-CB 3.44Å; D185-K189 PolarHBondContact O-N 3.44Å; I186-K189 PolarHBondContact O-N 3.02Å
190	Y	92.9	Very high	91.4	Very high	21 Å²	21	75.7 Å²	75.7	8%	0.082	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	8.1	-179.8	-69.8	-76.7	0	0	0	114.2	F129 I134 F146 I186 S187 V188 I192 I205 F207 R215	F129-Y190 AromaticContact CE1-CE2 3.56Å; F129-Y190 HydrophobicContact CE1-CE2 3.56Å; F129-Y190 AromaticContact CE1-CZ 3.84Å; F129-Y190 WeakPolarHBondContact CE1-OH 3.48Å; F129-Y190 AromaticContact CZ-CE2 3.59Å; F129-Y190 HydrophobicContact CZ-CE2 3.59Å; F129-Y190 AromaticContact CZ-CZ 3.71Å; F129-Y190 WeakPolarHBondContact CZ-OH 3.48Å; I134-Y190 VanDerWaalsContact CD1-OH 3.31Å; I134-Y190 WeakPolarHBondContact CD1-OH 3.27Å; F146-Y190 AromaticContact CE1-CD2 3.97Å; F146-Y190 HydrophobicContact CE1-CD2 3.97Å; F146-Y190 HydrophobicContact CE1-CG 4.42Å; F146-Y190 HydrophobicContact CZ-CD2 4.19Å; F146-Y190 HydrophobicContact CZ-CG 4.44Å; I186-Y190 HydrophobicContact CG2-CD2 3.85Å; I186-Y190 HydrophobicContact CG2-CE2 4.17Å; I186-Y190 WeakPolarHBondContact O-CD2 3.46Å; I186-Y190 PolarHBondContact O-N 3.49Å; S187-Y190 CarbonylContact O-C 3.52Å; S187-Y190 PolarHBondContact O-N 2.96Å; V188-Y190 VanDerWaalsContact C-N 3.26Å; V188-Y190 PolarHBondContact O-N 2.92Å; Y190-I192 VanDerWaalsContact C-N 3.32Å; Y190-I192 PolarHBondContact O-N 3.45Å; Y190-I205 HydrophobicContact CD1-CD1 4.13Å; Y190-I205 HydrophobicContact CG-CD1 4.37Å; Y190-F207 HydrophobicContact CD1-CE1 4.47Å; Y190-F207 HydrophobicContact CD1-CZ 4.19Å; Y190-F207 AromaticContact CE1-CE1 3.54Å; Y190-F207 HydrophobicContact CE1-CE1 3.54Å; Y190-F207 AromaticContact CE1-CZ 3.59Å; Y190-F207 HydrophobicContact CE1-CZ 3.59Å; Y190-F207 AromaticContact CZ-CE1 3.8Å; Y190-F207 AromaticContact CZ-CZ 3.81Å; Y190-R215 PolarHBondContact O-NH1 3.2Å; Y190-R215 PolarHBondContact O-NH2 3.14Å
191	N	91.4	Very high	91.2	Very high	104 Å²	104	76.2 Å²	76.2	56%	0.556	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	45.1	-178.1	-61.5	-82.6	0	0	0	113	S187 V188 Q200	S187-N191 PolarHBondContact O-N 3.49Å; V188-N191 PolarHBondContact O-N 3.03Å; N191-Q200 PolarHBondContact O-OE1 3.26Å
192	I	92.9	Very high	91.3	Very high	8 Å²	8	72.6 Å²	72.6	4%	0.041	36%	0.361	C	S	.	.			trans	-97.9	112.4	179	-59.6	174.5	0	0	0	108.9	F146 S187 Y190 T194 Q200 L201 T203 I205	F146-I192 HydrophobicContact CB-CD1 3.57Å; F146-I192 HydrophobicContact CD1-CD1 3.38Å; F146-I192 HydrophobicContact CD2-CD1 4.06Å; F146-I192 HydrophobicContact CE1-CD1 4.05Å; F146-I192 HydrophobicContact CG-CD1 3.39Å; S187-I192 PolarHBondContact O-N 3.38Å; Y190-I192 VanDerWaalsContact C-N 3.32Å; Y190-I192 PolarHBondContact O-N 3.45Å; I192-T194 PolarHBondContact O-N 2.99Å; I192-Q200 VanDerWaalsContact CA-OE1 3.27Å; I192-L201 HydrophobicContact CG2-CD2 3.99Å; I192-T203 HydrophobicContact CD1-CG2 4.34Å; I192-I205 HydrophobicContact CD1-CD1 4.47Å
193	D	90.5	Very high	91.4	Very high	69 Å²	69	64.7 Å²	64.7	37%	0.369	33%	0.332	S	S	.	.			trans	-69.1	120	172.9	176.9	13.9	0	0	0	110.2	S195 S198 Q200	D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 WeakPolarHBondContact OD1-CB 3.42Å; D193-S195 PolarHBondContact OD1-N 3.32Å; D193-S195 PolarHBondContact OD1-OG 3.41Å; D193-S195 PolarHBondContact OD2-OG 3.21Å; D193-S198 WeakPolarHBondContact O-CB 3.31Å; D193-S198 PolarHBondContact O-OG 3.44Å; D193-Q200 HydrophobicContact CB-CG 4.33Å
194	T	87.9	Confident	91.5	Very high	51 Å²	51	62.7 Å²	62.7	31%	0.313	32%	0.324	S	S	.	.			trans	-101.1	9	-179.3	64	0	0	0	0	113.5	W150 V180 I192	W150-T194 WeakPolarHBondContact CZ2-O 3.38Å; V180-T194 HydrophobicContact CB-CG2 3.94Å; V180-T194 HydrophobicContact CG2-CG2 3.54Å; I192-T194 PolarHBondContact O-N 2.99Å
195	S	87.5	Confident	91.7	Very high	52 Å²	52	59.5 Å²	59.5	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-63.2	154.1	177.4	70	0	0	0	0	112.2	D193 W197 S198	D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 WeakPolarHBondContact OD1-CB 3.42Å; D193-S195 PolarHBondContact OD1-N 3.32Å; D193-S195 PolarHBondContact OD1-OG 3.41Å; D193-S195 PolarHBondContact OD2-OG 3.21Å; S195-W197 PolarHBondContact O-N 3.31Å; S195-S198 WeakPolarHBondContact O-CB 3.38Å; S195-S198 PolarHBondContact O-N 2.71Å; S195-S198 PolarHBondContact OG-N 2.97Å
196	S	83.8	Confident	91.8	Very high	93 Å²	93	53.5 Å²	53.5	65%	0.65	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.3	-178	-50.7	0	0	0	0	114.3
197	W	80.5	Confident	92	Very high	235 Å²	235	53 Å²	53	89%	0.89	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	9.3	179.3	-61.6	106.3	0	0	0	113.2	S195 K199	S195-W197 PolarHBondContact O-N 3.31Å; W197-K199 PolarHBondContact O-N 3.43Å
198	S	83.8	Confident	92.1	Very high	19 Å²	19	57 Å²	57	13%	0.133	28%	0.282	C	S	.	.			trans	-56.6	128.7	179.6	173.9	0	0	0	0	111	D193 S195 Q200	D193-S198 WeakPolarHBondContact O-CB 3.31Å; D193-S198 PolarHBondContact O-OG 3.44Å; S195-S198 WeakPolarHBondContact O-CB 3.38Å; S195-S198 PolarHBondContact O-N 2.71Å; S195-S198 PolarHBondContact OG-N 2.97Å; S198-Q200 WeakPolarHBondContact OG-CB 3.45Å; S198-Q200 PolarHBondContact OG-N 3.19Å
199	K	86.4	Confident	92.1	Very high	178 Å²	178	58 Å²	58	77%	0.774	28%	0.28	S	S	*	.	S	Bend	trans	-86.1	0.7	170.8	-64.1	179.3	-177	171.7	0	112.2	W197	W197-K199 PolarHBondContact O-N 3.43Å
200	Q	91.6	Very high	92	Very high	31 Å²	31	53.5 Å²	53.5	15%	0.145	27%	0.266	C	S	.	.	S	Bend	trans	-88.7	-29.5	-177.6	-58.4	-172.1	11.3	0	0	111.8	N191 I192 D193 S198 P202 T203 P217 I227	N191-Q200 PolarHBondContact O-OE1 3.26Å; I192-Q200 VanDerWaalsContact CA-OE1 3.27Å; D193-Q200 HydrophobicContact CB-CG 4.33Å; S198-Q200 WeakPolarHBondContact OG-CB 3.45Å; S198-Q200 PolarHBondContact OG-N 3.19Å; Q200-P202 CarbonylContact O-C 3.02Å; Q200-T203 PolarHBondContact O-N 2.96Å; Q200-T203 PolarHBondContact O-OG1 2.84Å; Q200-P217 WeakPolarHBondContact O-CD 3.38Å; Q200-I227 HydrophobicContact CG-CD1 3.69Å; Q200-I227 HydrophobicContact CG-CG1 3.76Å
201	L	93.4	Very high	92.1	Very high	12 Å²	12	61 Å²	61	6%	0.063	29%	0.294	C	S	.	.			trans	-83.2	136.1	-179.5	-69.8	171.3	0	0	0	112.8	T148 W150 V180 I192	T148-L201 HydrophobicContact CG2-CD1 3.51Å; T148-L201 HydrophobicContact CG2-CD2 4.34Å; W150-L201 HydrophobicContact CH2-CD1 4.02Å; W150-L201 HydrophobicContact CZ2-CD1 4.45Å; V180-L201 HydrophobicContact CG2-CD2 3.95Å; I192-L201 HydrophobicContact CG2-CD2 3.99Å
202	P	95.7	Very high	92.3	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	28%	0.284	C	S	.	.	S	Bend	cis	-72.1	148.5	-9.9	29.8	-33.2	0	0	0	111.7	F146 L157 Q200 P217 F232	F146-P202 WeakPolarHBondContact O-CA 3.38Å; L157-P202 HydrophobicContact CB-CG 4.09Å; L157-P202 HydrophobicContact CD2-CB 3.49Å; L157-P202 VanDerWaalsContact CD2-CB 3.49Å; L157-P202 HydrophobicContact CD2-CG 3.44Å; L157-P202 VanDerWaalsContact CD2-CG 3.44Å; L157-P202 HydrophobicContact CG-CG 4.33Å; Q200-P202 CarbonylContact O-C 3.02Å; P202-P217 WeakPolarHBondContact O-CD 3.38Å; P202-F232 HydrophobicContact CG-CD2 4.13Å; P202-F232 HydrophobicContact CG-CE2 3.84Å; P202-F232 HydrophobicContact CG-CZ 4.12Å; P202-F232 WeakPolarHBondContact O-CZ 3.5Å
203	T	97.1	Very high	92.4	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.9	168.7	-54.1	0	0	0	0	108.8	F146 I192 Q200 I205 R215 R216	F146-T203 WeakPolarHBondContact CD2-O 3.37Å; F146-T203 PolarHBondContact N-O 2.96Å; F146-T203 PolarHBondContact O-N 3.23Å; I192-T203 HydrophobicContact CD1-CG2 4.34Å; Q200-T203 PolarHBondContact O-N 2.96Å; Q200-T203 PolarHBondContact O-OG1 2.84Å; T203-I205 HydrophobicContact CG2-CD1 4.07Å; T203-I205 HydrophobicContact CG2-CG1 3.71Å; T203-R215 HydrophobicContact CG2-CB 4.47Å; T203-R216 CarbonylContact C-O 3.44Å; T203-R216 WeakPolarHBondContact CA-O 3.14Å
204	L	98.5	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.9	168.9	-66.9	-172.7	0	0	0	109.2	L143 V144 A145 L157 F161 R215 R216 F232 M237 F241	L143-L204 HydrophobicContact CD1-CB 4.36Å; V144-L204 WeakPolarHBondContact O-CA 3.49Å; A145-L204 VanDerWaalsContact CA-CD2 3.46Å; A145-L204 HydrophobicContact CB-CD2 3.35Å; L157-L204 HydrophobicContact CD1-CD1 4.36Å; L157-L204 HydrophobicContact CD2-CD2 3.85Å; L157-L204 HydrophobicContact CD2-CG 4.25Å; F161-L204 HydrophobicContact CD2-CD1 4.43Å; F161-L204 HydrophobicContact CD2-CD2 4.09Å; F161-L204 HydrophobicContact CE2-CD1 4.43Å; F161-L204 HydrophobicContact CE2-CD2 3.75Å; F161-L204 HydrophobicContact CZ-CD2 4.37Å; L204-R215 CarbonylContact O-C 3.55Å; L204-R215 WeakPolarHBondContact O-CA 3.13Å; L204-R216 PolarHBondContact N-O 3.31Å; L204-R216 PolarHBondContact O-N 3.4Å; L204-F232 HydrophobicContact CB-CE1 4.25Å; L204-F232 HydrophobicContact CD1-CD1 3.78Å; L204-F232 HydrophobicContact CD1-CE1 3.69Å; L204-F232 HydrophobicContact CG-CD1 4.23Å; L204-F232 HydrophobicContact CG-CE1 3.68Å; L204-M237 HydrophobicContact CD1-CG 4.26Å; L204-M237 HydrophobicContact CD1-SD 3.57Å; L204-M237 VanDerWaalsContact CD1-SD 3.57Å; L204-F241 HydrophobicContact CB-CE1 4.45Å; L204-F241 HydrophobicContact CB-CE2 3.83Å; L204-F241 HydrophobicContact CB-CZ 3.48Å; L204-F241 VanDerWaalsContact CB-CZ 3.48Å; L204-F241 HydrophobicContact CD1-CE2 3.84Å; L204-F241 HydrophobicContact CD1-CZ 4.39Å
205	I	98.4	Very high	93	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	177.9	-48.4	-173.6	0	0	0	109.6	V144 F146 Y190 I192 T203 F207 E212 R215	V144-I205 PolarHBondContact N-O 3.18Å; V144-I205 PolarHBondContact O-N 3.15Å; F146-I205 HydrophobicContact CD2-CD1 4.02Å; F146-I205 HydrophobicContact CD2-CG1 3.92Å; F146-I205 HydrophobicContact CE2-CB 3.89Å; F146-I205 HydrophobicContact CE2-CD1 3.57Å; F146-I205 HydrophobicContact CE2-CG1 3.63Å; F146-I205 HydrophobicContact CZ-CD1 4.03Å; Y190-I205 HydrophobicContact CD1-CD1 4.13Å; Y190-I205 HydrophobicContact CG-CD1 4.37Å; I192-I205 HydrophobicContact CD1-CD1 4.47Å; T203-I205 HydrophobicContact CG2-CD1 4.07Å; T203-I205 HydrophobicContact CG2-CG1 3.71Å; I205-F207 HydrophobicContact CB-CD2 4.25Å; I205-F207 HydrophobicContact CB-CE2 3.55Å; I205-F207 HydrophobicContact CB-CZ 3.92Å; I205-F207 HydrophobicContact CD1-CZ 4.3Å; I205-F207 HydrophobicContact CG2-CD2 4.04Å; I205-F207 HydrophobicContact CG2-CE1 4.09Å; I205-F207 HydrophobicContact CG2-CE2 3.52Å; I205-F207 HydrophobicContact CG2-CZ 3.53Å; I205-E212 HydrophobicContact CG2-CB 4.14Å; I205-E212 HydrophobicContact CG2-CG 3.5Å; I205-E212 VanDerWaalsContact CG2-CG 3.5Å; I205-R215 HydrophobicContact CB-CB 4.33Å; I205-R215 HydrophobicContact CD1-CB 4.44Å; I205-R215 HydrophobicContact CG1-CB 3.8Å; I205-R215 HydrophobicContact CG2-CB 4.26Å
206	L	98.3	Very high	93.5	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.5	172.7	-168.6	74.7	0	0	0	109.5	T141 W142 L143 M173 L213 T214 F241 I246	T141-L206 HydrophobicContact CG2-CD1 3.63Å; T141-L206 HydrophobicContact CG2-CD2 4.4Å; T141-L206 HydrophobicContact CG2-CG 3.98Å; W142-L206 CarbonylContact O-C 3.47Å; W142-L206 WeakPolarHBondContact O-CA 3.3Å; L143-L206 HydrophobicContact CB-CD1 4.14Å; L143-L206 HydrophobicContact CD1-CB 4.33Å; L143-L206 HydrophobicContact CD1-CD1 4.15Å; M173-L206 HydrophobicContact CE-CD1 4.13Å; L206-L213 HydrophobicContact CD2-CB 4.41Å; L206-L213 HydrophobicContact CD2-CD1 4.11Å; L206-L213 HydrophobicContact CG-CD1 4.5Å; L206-L213 PolarHBondContact O-N 2.85Å; L206-T214 HydrophobicContact CB-CG2 4.04Å; L206-T214 HydrophobicContact CD2-CG2 4.39Å; L206-T214 PolarHBondContact N-O 3.46Å; L206-F241 HydrophobicContact CB-CD1 3.9Å; L206-F241 HydrophobicContact CB-CE1 4.31Å; L206-I246 HydrophobicContact CD1-CD1 4.49Å; L206-I246 HydrophobicContact CD2-CD1 4.22Å
207	F	98.2	Very high	94	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	177.6	-65.1	-88.5	0	0	0	111.5	F129 V133 I134 T141 W142 V144 F146 Y190 I205 R211 E212	F129-F207 HydrophobicContact CE2-CE2 4.13Å; F129-F207 HydrophobicContact CE2-CZ 4.3Å; F129-F207 HydrophobicContact CZ-CE1 4.33Å; F129-F207 HydrophobicContact CZ-CE2 4.15Å; F129-F207 AromaticContact CZ-CZ 3.86Å; F129-F207 HydrophobicContact CZ-CZ 3.86Å; V133-F207 HydrophobicContact CG1-CB 3.65Å; V133-F207 HydrophobicContact CG1-CD1 4.22Å; V133-F207 HydrophobicContact CG1-CD2 3.74Å; V133-F207 HydrophobicContact CG1-CE2 4.41Å; V133-F207 HydrophobicContact CG1-CG 3.61Å; I134-F207 HydrophobicContact CD1-CD1 4.37Å; I134-F207 HydrophobicContact CD1-CE1 4.39Å; T141-F207 WeakPolarHBondContact CA-O 3.45Å; T141-F207 WeakPolarHBondContact CG2-O 3.07Å; W142-F207 HydrophobicContact CB-CB 4.2Å; W142-F207 PolarHBondContact N-O 2.92Å; W142-F207 PolarHBondContact O-N 3.31Å; V144-F207 HydrophobicContact CB-CD2 4.26Å; V144-F207 HydrophobicContact CB-CE2 4.08Å; V144-F207 HydrophobicContact CG2-CD2 3.89Å; V144-F207 HydrophobicContact CG2-CE2 4.12Å; F146-F207 AromaticContact CE2-CE2 3.98Å; F146-F207 HydrophobicContact CE2-CE2 3.98Å; F146-F207 HydrophobicContact CE2-CZ 4.36Å; F146-F207 HydrophobicContact CZ-CE2 4.03Å; F146-F207 HydrophobicContact CZ-CZ 4.09Å; Y190-F207 HydrophobicContact CD1-CE1 4.47Å; Y190-F207 HydrophobicContact CD1-CZ 4.19Å; Y190-F207 AromaticContact CE1-CE1 3.54Å; Y190-F207 HydrophobicContact CE1-CE1 3.54Å; Y190-F207 AromaticContact CE1-CZ 3.59Å; Y190-F207 HydrophobicContact CE1-CZ 3.59Å; Y190-F207 AromaticContact CZ-CE1 3.8Å; Y190-F207 AromaticContact CZ-CZ 3.81Å; I205-F207 HydrophobicContact CB-CD2 4.25Å; I205-F207 HydrophobicContact CB-CE2 3.55Å; I205-F207 HydrophobicContact CB-CZ 3.92Å; I205-F207 HydrophobicContact CD1-CZ 4.3Å; I205-F207 HydrophobicContact CG2-CD2 4.04Å; I205-F207 HydrophobicContact CG2-CE1 4.09Å; I205-F207 HydrophobicContact CG2-CE2 3.52Å; I205-F207 HydrophobicContact CG2-CZ 3.53Å; F207-R211 CarbonylContact C-O 3.54Å; F207-R211 VanDerWaalsContact CA-O 3.24Å; F207-R211 WeakPolarHBondContact CA-O 3.47Å; F207-E212 HydrophobicContact CD1-CB 4.34Å; F207-E212 HydrophobicContact CE1-CB 4.08Å
208	R	95.5	Very high	94.6	Very high	91 Å²	91	47 Å²	47	34%	0.343	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.8	168.8	-177.3	177.9	-79.2	-177.1	-4.2	108.4	T141 G210 R211 L213	T141-R208 PolarHBondContact OG1-NE 3.28Å; T141-R208 PolarHBondContact OG1-NH2 3.35Å; R208-G210 PolarHBondContact O-N 3.44Å; R208-R211 PolarHBondContact N-O 2.88Å; R208-R211 PolarHBondContact O-N 2.91Å; R208-L213 HydrophobicContact CB-CD1 3.62Å; R208-L213 HydrophobicContact CB-CD2 4.4Å; R208-L213 HydrophobicContact CB-CG 4.06Å
209	Q	94.7	Very high	94.9	Very high	125 Å²	125	48.6 Å²	48.6	58%	0.584	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.9	-176.6	-62.1	172.2	-19	0	0	112.7	P138 R211	P138-Q209 HydrophobicContact CB-CG 3.87Å; P138-Q209 VanDerWaalsContact O-CG 3.3Å; P138-Q209 WeakPolarHBondContact O-CG 3.13Å; Q209-R211 PolarHBondContact O-N 3.09Å; Q209-R211 VanDerWaalsContact O-N 3.08Å
210	G	92.7	Very high	94.9	Very high	19 Å²	19	43.5 Å²	43.5	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	6.6	-176.7	0	0	0	0	0	116.2	V133 I134 R208	V133-G210 WeakPolarHBondContact O-CA 3.29Å; I134-G210 VanDerWaalsContact O-CA 3.25Å; I134-G210 WeakPolarHBondContact O-CA 3.22Å; R208-G210 PolarHBondContact O-N 3.44Å
211	R	95.4	Very high	94.3	Very high	180 Å²	180	49.6 Å²	49.6	68%	0.679	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.6	178.4	-63.6	179.6	-176	176.1	1.1	110.6	F207 R208 Q209	F207-R211 CarbonylContact C-O 3.54Å; F207-R211 VanDerWaalsContact CA-O 3.24Å; F207-R211 WeakPolarHBondContact CA-O 3.47Å; R208-R211 PolarHBondContact N-O 2.88Å; R208-R211 PolarHBondContact O-N 2.91Å; Q209-R211 PolarHBondContact O-N 3.09Å; Q209-R211 VanDerWaalsContact O-N 3.08Å
212	E	95.5	Very high	93.4	Very high	71 Å²	71	51.4 Å²	51.4	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126	169	171.6	173.8	162.3	0	0	110.3	I205 F207 R215	I205-E212 HydrophobicContact CG2-CB 4.14Å; I205-E212 HydrophobicContact CG2-CG 3.5Å; I205-E212 VanDerWaalsContact CG2-CG 3.5Å; F207-E212 HydrophobicContact CD1-CB 4.34Å; F207-E212 HydrophobicContact CE1-CB 4.08Å; E212-R215 WeakPolarHBondContact OE1-CG 3.46Å; E212-R215 IonicContact OE1-CZ 3.46Å; E212-R215 IonicContact OE1-NE 3.32Å; E212-R215 PolarHBondContact OE1-NE 2.92Å; E212-R215 IonicContact OE1-NH2 3.38Å; E212-R215 PolarHBondContact OE1-NH2 2.88Å; E212-R215 IonicContact OE2-CZ 3.22Å; E212-R215 IonicContact OE2-NE 2.65Å; E212-R215 IonicContact OE2-NH2 3.48Å; E212-R215 PolarHBondContact OE2-NH2 3.49Å
213	L	94.9	Very high	92.4	Very high	93 Å²	93	58.1 Å²	58.1	49%	0.487	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-49.1	175	-60.9	-174.1	0	0	0	111.8	L206 R208	L206-L213 HydrophobicContact CD2-CB 4.41Å; L206-L213 HydrophobicContact CD2-CD1 4.11Å; L206-L213 HydrophobicContact CG-CD1 4.5Å; L206-L213 PolarHBondContact O-N 2.85Å; R208-L213 HydrophobicContact CB-CD1 3.62Å; R208-L213 HydrophobicContact CB-CD2 4.4Å; R208-L213 HydrophobicContact CB-CG 4.06Å
214	T	95.5	Very high	91.4	Very high	41 Å²	41	66.8 Å²	66.8	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	152.5	179.9	-160.3	0	0	0	0	110.7	L206 R216 F241	L206-T214 HydrophobicContact CB-CG2 4.04Å; L206-T214 HydrophobicContact CD2-CG2 4.39Å; L206-T214 PolarHBondContact N-O 3.46Å; T214-R216 PolarHBondContact OG1-NH1 3.47Å; T214-F241 HydrophobicContact CG2-CD1 3.63Å; T214-F241 HydrophobicContact CG2-CE1 3.82Å
215	R	96.6	Very high	90.2	Very high	32 Å²	32	73.6 Å²	73.6	12%	0.121	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.4	177.6	65.8	167.3	69.2	-175.5	2.2	113	Y190 T203 L204 I205 E212	Y190-R215 PolarHBondContact O-NH1 3.2Å; Y190-R215 PolarHBondContact O-NH2 3.14Å; T203-R215 HydrophobicContact CG2-CB 4.47Å; L204-R215 CarbonylContact O-C 3.55Å; L204-R215 WeakPolarHBondContact O-CA 3.13Å; I205-R215 HydrophobicContact CB-CB 4.33Å; I205-R215 HydrophobicContact CD1-CB 4.44Å; I205-R215 HydrophobicContact CG1-CB 3.8Å; I205-R215 HydrophobicContact CG2-CB 4.26Å; E212-R215 WeakPolarHBondContact OE1-CG 3.46Å; E212-R215 IonicContact OE1-CZ 3.46Å; E212-R215 IonicContact OE1-NE 3.32Å; E212-R215 PolarHBondContact OE1-NE 2.92Å; E212-R215 IonicContact OE1-NH2 3.38Å; E212-R215 PolarHBondContact OE1-NH2 2.88Å; E212-R215 IonicContact OE2-CZ 3.22Å; E212-R215 IonicContact OE2-NE 2.65Å; E212-R215 IonicContact OE2-NH2 3.48Å; E212-R215 PolarHBondContact OE2-NH2 3.49Å
216	R	96.7	Very high	89.5	Confident	52 Å²	52	76.5 Å²	76.5	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.8	169.4	-64.3	-62.6	-179.5	-80.8	-6.3	110.3	T203 L204 T214 F230 F232 A240 F241	T203-R216 CarbonylContact C-O 3.44Å; T203-R216 WeakPolarHBondContact CA-O 3.14Å; L204-R216 PolarHBondContact N-O 3.31Å; L204-R216 PolarHBondContact O-N 3.4Å; T214-R216 PolarHBondContact OG1-NH1 3.47Å; R216-F230 HydrophobicContact CB-CB 4.41Å; R216-F230 HydrophobicContact CB-CD1 3.73Å; R216-F230 HydrophobicContact CB-CD2 4.22Å; R216-F230 HydrophobicContact CB-CE1 3.95Å; R216-F230 HydrophobicContact CB-CE2 4.42Å; R216-F230 HydrophobicContact CB-CG 3.85Å; R216-F230 HydrophobicContact CB-CZ 4.28Å; R216-F230 HydrophobicContact CG-CD1 4.24Å; R216-F230 HydrophobicContact CG-CD2 3.95Å; R216-F230 HydrophobicContact CG-CE1 4.16Å; R216-F230 HydrophobicContact CG-CE2 3.87Å; R216-F230 HydrophobicContact CG-CG 4.13Å; R216-F230 HydrophobicContact CG-CZ 3.97Å; R216-F232 HydrophobicContact CB-CE1 4.31Å; R216-A240 HydrophobicContact CG-CB 4.12Å; R216-F241 HydrophobicContact CB-CE2 4.36Å; R216-F241 HydrophobicContact CB-CZ 3.86Å; R216-F241 HydrophobicContact CG-CE1 4.38Å; R216-F241 HydrophobicContact CG-CE2 4.17Å; R216-F241 HydrophobicContact CG-CZ 3.72Å
217	P	94.9	Very high	89.1	Confident	7 Å²	7	78 Å²	78	5%	0.045	39%	0.388	C	S	.	.	S	Bend	cis	-66.8	150	-3.6	30.1	-34.6	0	0	0	112.1	Q200 P202 I227 Q228 F230	Q200-P217 WeakPolarHBondContact O-CD 3.38Å; P202-P217 WeakPolarHBondContact O-CD 3.38Å; P217-I227 HydrophobicContact CB-CG2 3.52Å; P217-I227 HydrophobicContact CG-CG2 3.61Å; P217-Q228 WeakPolarHBondContact CB-O 3.44Å; P217-F230 HydrophobicContact CB-CB 4.15Å
218	A	93.1	Very high	88.7	Confident	21 Å²	21	82.9 Å²	82.9	17%	0.174	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	144.7	-179.5	0	0	0	0	0	110.6	Q228	A218-Q228 HydrophobicContact CB-CB 4.14Å; A218-Q228 PolarHBondContact O-N 2.85Å
219	I	89.9	Confident	88.4	Confident	52 Å²	52	85.6 Å²	85.6	27%	0.267	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.7	173.4	-55.9	174.2	0	0	0	107.3	K225 I227	I219-K225 HydrophobicContact CG2-CB 4.19Å; I219-I227 HydrophobicContact CB-CD1 4.43Å; I219-I227 HydrophobicContact CG1-CD1 3.82Å; I219-I227 HydrophobicContact CG2-CD1 4.44Å
220	I	86.3	Confident	88.2	Confident	71 Å²	71	81.6 Å²	81.6	36%	0.364	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.3	176.6	-53.3	173.6	0	0	0	107.6	T222 T226 Q228	I220-T222 HydrophobicContact CG2-CG2 3.92Å; I220-T222 PolarHBondContact O-N 3.46Å; I220-T222 PolarHBondContact O-OG1 2.88Å; I220-T222 VanDerWaalsContact O-OG1 3.09Å; I220-T226 WeakPolarHBondContact CB-O 3.32Å; I220-T226 PolarHBondContact N-O 2.89Å; I220-T226 PolarHBondContact O-N 3.01Å; I220-Q228 HydrophobicContact CD1-CB 3.92Å; I220-Q228 HydrophobicContact CD1-CG 4.44Å; I220-Q228 HydrophobicContact CG1-CB 3.94Å
221	N	78.7	Confident	88.1	Confident	159 Å²	159	82.6 Å²	82.6	85%	0.85	41%	0.408	S	S	*	.			trans	-69.4	65.1	175.7	-72.2	-9.5	0	0	0	111.6
222	T	75.6	Confident	88	Confident	50 Å²	50	74.5 Å²	74.5	31%	0.307	38%	0.378	S	S	.	.	S	Bend	trans	-98.5	157.8	166.9	39.8	0	0	0	0	107.9	I220 K224 K225 T226	I220-T222 HydrophobicContact CG2-CG2 3.92Å; I220-T222 PolarHBondContact O-N 3.46Å; I220-T222 PolarHBondContact O-OG1 2.88Å; I220-T222 VanDerWaalsContact O-OG1 3.09Å; T222-K224 PolarHBondContact O-N 2.9Å; T222-K225 PolarHBondContact O-N 2.91Å; T222-T226 PolarHBondContact OG1-N 2.84Å; T222-T226 PolarHBondContact OG1-OG1 2.79Å
223	P	73.3	Confident	87.7	Confident	143 Å²	143	72.6 Å²	72.6	93%	0.929	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.1	176.6	18.3	-30.1	0	0	0	112.9
224	K	75.9	Confident	87.6	Confident	185 Å²	185	69.3 Å²	69.3	80%	0.804	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	5.1	175.8	-62	-175.1	178.8	-178.1	0	114.9	T222 T226	T222-K224 PolarHBondContact O-N 2.9Å; K224-T226 HydrophobicContact CB-CG2 4.19Å; K224-T226 PolarHBondContact O-N 3.39Å
225	K	73.5	Confident	87.4	Confident	142 Å²	142	71 Å²	71	62%	0.617	36%	0.36	S	S	*	.			trans	44.3	56	-175.5	-64.7	-176.5	179.4	179.9	0	113.1	I219 T222	I219-K225 HydrophobicContact CG2-CB 4.19Å; T222-K225 PolarHBondContact O-N 2.91Å
226	T	85.4	Confident	87.2	Confident	61 Å²	61	72.7 Å²	72.7	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.9	-176.5	56.7	0	0	0	0	112.5	I220 T222 K224	I220-T226 WeakPolarHBondContact CB-O 3.32Å; I220-T226 PolarHBondContact N-O 2.89Å; I220-T226 PolarHBondContact O-N 3.01Å; T222-T226 PolarHBondContact OG1-N 2.84Å; T222-T226 PolarHBondContact OG1-OG1 2.79Å; K224-T226 HydrophobicContact CB-CG2 4.19Å; K224-T226 PolarHBondContact O-N 3.39Å
227	I	88	Confident	87.2	Confident	43 Å²	43	70.2 Å²	70.2	22%	0.221	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.8	-178.2	-56	-57.2	0	0	0	109.8	Q200 P217 I219 K229	Q200-I227 HydrophobicContact CG-CD1 3.69Å; Q200-I227 HydrophobicContact CG-CG1 3.76Å; P217-I227 HydrophobicContact CB-CG2 3.52Å; P217-I227 HydrophobicContact CG-CG2 3.61Å; I219-I227 HydrophobicContact CB-CD1 4.43Å; I219-I227 HydrophobicContact CG1-CD1 3.82Å; I219-I227 HydrophobicContact CG2-CD1 4.44Å; I227-K229 PolarHBondContact O-N 3.41Å
228	Q	90.6	Very high	87.2	Confident	103 Å²	103	70.4 Å²	70.4	48%	0.481	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	116.4	172.7	-169.9	176.3	55.2	0	0	109	P217 A218 I220 F230	P217-Q228 WeakPolarHBondContact CB-O 3.44Å; A218-Q228 HydrophobicContact CB-CB 4.14Å; A218-Q228 PolarHBondContact O-N 2.85Å; I220-Q228 HydrophobicContact CD1-CB 3.92Å; I220-Q228 HydrophobicContact CD1-CG 4.44Å; I220-Q228 HydrophobicContact CG1-CB 3.94Å; Q228-F230 PolarHBondContact O-N 2.91Å
229	K	88.4	Confident	87.4	Confident	147 Å²	147	74.8 Å²	74.8	64%	0.639	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-56.7	128	178.3	-174.4	-175.2	174.7	-165.1	0	109.8	K64 I227	K64-K229 PolarHBondContact O-NZ 3.01Å; I227-K229 PolarHBondContact O-N 3.41Å
230	F	91.9	Very high	87.7	Confident	41 Å²	41	73.2 Å²	73.2	18%	0.18	38%	0.378	C	S	.	.			trans	-123.5	140.5	174.3	-173	-102.7	0	0	0	110	R216 P217 Q228 F232 N236 M237 A240	R216-F230 HydrophobicContact CB-CB 4.41Å; R216-F230 HydrophobicContact CB-CD1 3.73Å; R216-F230 HydrophobicContact CB-CD2 4.22Å; R216-F230 HydrophobicContact CB-CE1 3.95Å; R216-F230 HydrophobicContact CB-CE2 4.42Å; R216-F230 HydrophobicContact CB-CG 3.85Å; R216-F230 HydrophobicContact CB-CZ 4.28Å; R216-F230 HydrophobicContact CG-CD1 4.24Å; R216-F230 HydrophobicContact CG-CD2 3.95Å; R216-F230 HydrophobicContact CG-CE1 4.16Å; R216-F230 HydrophobicContact CG-CE2 3.87Å; R216-F230 HydrophobicContact CG-CG 4.13Å; R216-F230 HydrophobicContact CG-CZ 3.97Å; P217-F230 HydrophobicContact CB-CB 4.15Å; Q228-F230 PolarHBondContact O-N 2.91Å; F230-F232 AromaticContact CD1-CD1 3.65Å; F230-F232 HydrophobicContact CD1-CD1 3.65Å; F230-F232 HydrophobicContact CD1-CD2 4.1Å; F230-F232 AromaticContact CD1-CE1 3.54Å; F230-F232 HydrophobicContact CD1-CE1 3.54Å; F230-F232 HydrophobicContact CD1-CE2 4.02Å; F230-F232 AromaticContact CD1-CG 3.92Å; F230-F232 HydrophobicContact CD1-CG 3.92Å; F230-F232 AromaticContact CD1-CZ 3.75Å; F230-F232 HydrophobicContact CD1-CZ 3.75Å; F230-F232 AromaticContact CE1-CD1 3.57Å; F230-F232 HydrophobicContact CE1-CD1 3.57Å; F230-F232 AromaticContact CE1-CE1 3.74Å; F230-F232 HydrophobicContact CE1-CE1 3.74Å; F230-F232 HydrophobicContact CE1-CG 4.08Å; F230-F232 HydrophobicContact CE1-CZ 4.41Å; F230-N236 HydrophobicContact CE2-CB 4.29Å; F230-N236 HydrophobicContact CZ-CB 3.91Å; F230-M237 HydrophobicContact CE1-CG 4.27Å; F230-A240 HydrophobicContact CE2-CB 3.79Å; F230-A240 HydrophobicContact CZ-CB 3.73Å
231	T	90.3	Very high	88.2	Confident	41 Å²	41	70 Å²	70	25%	0.252	36%	0.361	S	S	.	.			trans	-107.2	115.6	176.2	-49.5	0	0	0	0	108.2	T233 N236	T231-T233 HydrophobicContact CG2-CG2 3.82Å; T231-T233 PolarHBondContact O-N 3Å; T231-N236 WeakPolarHBondContact O-CB 3.28Å; T231-N236 PolarHBondContact O-ND2 3.42Å
232	F	92.3	Very high	89	Confident	10 Å²	10	64.7 Å²	64.7	4%	0.044	34%	0.336	C	S	.	.			trans	-79	58.9	-176.8	-66.1	-83.5	0	0	0	112.5	F67 L157 I160 P202 L204 R216 F230 M237	F67-F232 HydrophobicContact CD2-CB 3.97Å; F67-F232 HydrophobicContact CE2-CB 3.82Å; F67-F232 HydrophobicContact CE2-CD2 4.31Å; F67-F232 HydrophobicContact CE2-CG 4.47Å; F67-F232 HydrophobicContact CG-CB 4.45Å; F67-F232 HydrophobicContact CZ-CB 4.18Å; F67-F232 HydrophobicContact CZ-CD2 4.08Å; L157-F232 HydrophobicContact CD1-CB 3.93Å; L157-F232 HydrophobicContact CD1-CD1 4.01Å; L157-F232 HydrophobicContact CD1-CG 4.15Å; I160-F232 WeakPolarHBondContact CD1-O 3.42Å; P202-F232 HydrophobicContact CG-CD2 4.13Å; P202-F232 HydrophobicContact CG-CE2 3.84Å; P202-F232 HydrophobicContact CG-CZ 4.12Å; P202-F232 WeakPolarHBondContact O-CZ 3.5Å; L204-F232 HydrophobicContact CB-CE1 4.25Å; L204-F232 HydrophobicContact CD1-CD1 3.78Å; L204-F232 HydrophobicContact CD1-CE1 3.69Å; L204-F232 HydrophobicContact CG-CD1 4.23Å; L204-F232 HydrophobicContact CG-CE1 3.68Å; R216-F232 HydrophobicContact CB-CE1 4.31Å; F230-F232 AromaticContact CD1-CD1 3.65Å; F230-F232 HydrophobicContact CD1-CD1 3.65Å; F230-F232 HydrophobicContact CD1-CD2 4.1Å; F230-F232 AromaticContact CD1-CE1 3.54Å; F230-F232 HydrophobicContact CD1-CE1 3.54Å; F230-F232 HydrophobicContact CD1-CE2 4.02Å; F230-F232 AromaticContact CD1-CG 3.92Å; F230-F232 HydrophobicContact CD1-CG 3.92Å; F230-F232 AromaticContact CD1-CZ 3.75Å; F230-F232 HydrophobicContact CD1-CZ 3.75Å; F230-F232 AromaticContact CE1-CD1 3.57Å; F230-F232 HydrophobicContact CE1-CD1 3.57Å; F230-F232 AromaticContact CE1-CE1 3.74Å; F230-F232 HydrophobicContact CE1-CE1 3.74Å; F230-F232 HydrophobicContact CE1-CG 4.08Å; F230-F232 HydrophobicContact CE1-CZ 4.41Å; F232-M237 HydrophobicContact CB-SD 4.36Å; F232-M237 HydrophobicContact CD1-CG 4.22Å; F232-M237 HydrophobicContact CD1-SD 4.02Å
233	T	91	Very high	90	Very high	30 Å²	30	62.4 Å²	62.4	18%	0.184	32%	0.322	C	S	.	.			trans	-81.6	155.5	165.8	69	0	0	0	0	109.5	T231 D235 N236 M237	T231-T233 HydrophobicContact CG2-CG2 3.82Å; T231-T233 PolarHBondContact O-N 3Å; T233-D235 VanDerWaalsContact C-N 3.33Å; T233-D235 PolarHBondContact O-N 2.97Å; T233-N236 PolarHBondContact O-N 3.46Å; T233-N236 VanDerWaalsContact OG1-CB 3.29Å; T233-N236 WeakPolarHBondContact OG1-CB 3.29Å; T233-N236 PolarHBondContact OG1-N 3.09Å; T233-N236 PolarHBondContact OG1-ND2 3.14Å; T233-M237 WeakPolarHBondContact O-CG 3.34Å; T233-M237 PolarHBondContact O-N 3.32Å
234	W	91.3	Very high	91	Very high	25 Å²	25	59.6 Å²	59.6	10%	0.095	30%	0.299	C	S	.	.	H	α-helix	trans	-46.3	-54.1	174.2	175.2	-88.7	0	0	0	112.9	K2 I160 E163 L164 E167 F168 N236 M237 I238	K2-W234 HydrophobicContact CD-CB 4.3Å; K2-W234 HydrophobicContact CD-CD2 4.23Å; K2-W234 HydrophobicContact CD-CG 3.75Å; I160-W234 HydrophobicContact CG2-CB 4.1Å; I160-W234 HydrophobicContact CG2-CE3 3.92Å; E163-W234 HydrophobicContact CB-CE3 4.31Å; E163-W234 HydrophobicContact CB-CH2 4.27Å; E163-W234 HydrophobicContact CB-CZ3 3.5Å; E163-W234 VanDerWaalsContact CB-CZ3 3.5Å; L164-W234 HydrophobicContact CB-CZ3 4.17Å; L164-W234 HydrophobicContact CD2-CD2 3.95Å; L164-W234 HydrophobicContact CD2-CE3 3.59Å; L164-W234 HydrophobicContact CD2-CH2 3.62Å; L164-W234 HydrophobicContact CD2-CZ2 3.98Å; L164-W234 HydrophobicContact CD2-CZ3 3.41Å; L164-W234 VanDerWaalsContact CD2-CZ3 3.41Å; L164-W234 HydrophobicContact CG-CE3 3.75Å; L164-W234 HydrophobicContact CG-CH2 4.17Å; L164-W234 HydrophobicContact CG-CZ3 3.53Å; E167-W234 HydrophobicContact CB-CH2 3.98Å; E167-W234 HydrophobicContact CB-CZ2 4.49Å; E167-W234 HydrophobicContact CG-CH2 4.31Å; E167-W234 HydrophobicContact CG-CZ2 4.32Å; F168-W234 HydrophobicContact CE2-CH2 4.19Å; F168-W234 AromaticContact CE2-CZ2 3.91Å; F168-W234 HydrophobicContact CE2-CZ2 3.91Å; W234-N236 PolarHBondContact O-N 3.19Å; W234-M237 PolarHBondContact O-N 2.82Å; W234-I238 HydrophobicContact CD2-CD1 4.23Å; W234-I238 VanDerWaalsContact CE2-CD1 3.49Å; W234-I238 HydrophobicContact CG-CD1 4.29Å; W234-I238 HydrophobicContact CZ2-CD1 3.93Å; W234-I238 WeakPolarHBondContact O-CG1 3.45Å; W234-I238 PolarHBondContact O-N 3.39Å
235	D	91.7	Very high	91.9	Very high	77 Å²	77	56.5 Å²	56.5	41%	0.412	29%	0.288	S	S	.	.	H	α-helix	trans	-68.4	-39.4	-174.5	-54	-72.3	0	0	0	111.4	K2 T233 M237 I238 N239	K2-D235 IonicContact NZ-OD1 2.64Å; K2-D235 IonicContact NZ-OD2 3.53Å; K2-D235 PolarHBondContact NZ-OD2 3.09Å; T233-D235 VanDerWaalsContact C-N 3.33Å; T233-D235 PolarHBondContact O-N 2.97Å; D235-M237 VanDerWaalsContact C-N 3.31Å; D235-M237 PolarHBondContact O-N 2.88Å; D235-I238 PolarHBondContact O-N 3.34Å; D235-N239 WeakPolarHBondContact O-CB 3.36Å; D235-N239 PolarHBondContact O-N 3.13Å; D235-N239 PolarHBondContact O-ND2 3.14Å
236	N	93.6	Very high	92.7	Very high	67 Å²	67	50.5 Å²	50.5	36%	0.358	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-38.1	175.5	-72.8	-7.4	0	0	0	111.7	F230 T231 T233 W234 A240	F230-N236 HydrophobicContact CE2-CB 4.29Å; F230-N236 HydrophobicContact CZ-CB 3.91Å; T231-N236 WeakPolarHBondContact O-CB 3.28Å; T231-N236 PolarHBondContact O-ND2 3.42Å; T233-N236 PolarHBondContact O-N 3.46Å; T233-N236 VanDerWaalsContact OG1-CB 3.29Å; T233-N236 WeakPolarHBondContact OG1-CB 3.29Å; T233-N236 PolarHBondContact OG1-N 3.09Å; T233-N236 PolarHBondContact OG1-ND2 3.14Å; W234-N236 PolarHBondContact O-N 3.19Å; N236-A240 WeakPolarHBondContact O-CB 3.21Å; N236-A240 PolarHBondContact O-N 3.38Å
237	M	95.4	Very high	93.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-44.4	178	-71.9	-169.4	-72.9	0	0	112	L157 I160 L164 L204 F230 F232 T233 W234 D235 N239 A240 F241	L157-M237 HydrophobicContact CD1-CE 4.06Å; L157-M237 HydrophobicContact CD1-SD 3.64Å; I160-M237 HydrophobicContact CB-CE 3.79Å; I160-M237 HydrophobicContact CG2-CE 3.16Å; L164-M237 HydrophobicContact CD1-CB 3.81Å; L164-M237 HydrophobicContact CD1-CE 3.45Å; L164-M237 VanDerWaalsContact CD1-CE 3.45Å; L164-M237 HydrophobicContact CD1-CG 4.43Å; L164-M237 HydrophobicContact CD1-SD 3.77Å; L164-M237 HydrophobicContact CG-CE 4.48Å; L204-M237 HydrophobicContact CD1-CG 4.26Å; L204-M237 HydrophobicContact CD1-SD 3.57Å; L204-M237 VanDerWaalsContact CD1-SD 3.57Å; F230-M237 HydrophobicContact CE1-CG 4.27Å; F232-M237 HydrophobicContact CB-SD 4.36Å; F232-M237 HydrophobicContact CD1-CG 4.22Å; F232-M237 HydrophobicContact CD1-SD 4.02Å; T233-M237 WeakPolarHBondContact O-CG 3.34Å; T233-M237 PolarHBondContact O-N 3.32Å; W234-M237 PolarHBondContact O-N 2.82Å; D235-M237 VanDerWaalsContact C-N 3.31Å; D235-M237 PolarHBondContact O-N 2.88Å; M237-N239 VanDerWaalsContact C-N 3.29Å; M237-N239 PolarHBondContact O-N 3.12Å; M237-A240 PolarHBondContact O-N 2.92Å; M237-F241 VanDerWaalsContact O-CD2 3.29Å; M237-F241 WeakPolarHBondContact O-CD2 3.48Å; M237-F241 PolarHBondContact O-N 2.89Å; M237-F241 VanDerWaalsContact O-N 3.09Å
238	I	95.6	Very high	93.2	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-47.9	175	-71.5	173.6	0	0	0	110.7	L164 F168 W234 D235 S242 L243 N244	L164-I238 HydrophobicContact CD2-CD1 4.25Å; L164-I238 HydrophobicContact CD2-CG1 3.78Å; F168-I238 HydrophobicContact CE2-CD1 3.63Å; F168-I238 HydrophobicContact CE2-CG1 3.74Å; F168-I238 HydrophobicContact CZ-CD1 3.58Å; F168-I238 HydrophobicContact CZ-CG1 3.81Å; F168-I238 HydrophobicContact CZ-CG2 4.46Å; W234-I238 HydrophobicContact CD2-CD1 4.23Å; W234-I238 VanDerWaalsContact CE2-CD1 3.49Å; W234-I238 HydrophobicContact CG-CD1 4.29Å; W234-I238 HydrophobicContact CZ2-CD1 3.93Å; W234-I238 WeakPolarHBondContact O-CG1 3.45Å; W234-I238 PolarHBondContact O-N 3.39Å; D235-I238 PolarHBondContact O-N 3.34Å; I238-S242 WeakPolarHBondContact O-CA 3.22Å; I238-S242 PolarHBondContact O-N 3.49Å; I238-L243 HydrophobicContact CG1-CB 4.47Å; I238-L243 HydrophobicContact CG1-CD1 4.2Å; I238-L243 HydrophobicContact CG2-CB 4.38Å; I238-L243 PolarHBondContact O-N 2.87Å; I238-N244 HydrophobicContact CG2-CB 4.48Å; I238-N244 VanDerWaalsContact CG2-ND2 3.29Å; I238-N244 WeakPolarHBondContact CG2-ND2 3.48Å
239	N	95.8	Very high	93.2	Very high	113 Å²	113	50.6 Å²	50.6	60%	0.604	26%	0.263	S	S	*	.	H	α-helix	trans	-71.3	-42.2	-177.7	-66.2	-19.5	0	0	0	111.9	D235 M237 F241 S242	D235-N239 WeakPolarHBondContact O-CB 3.36Å; D235-N239 PolarHBondContact O-N 3.13Å; D235-N239 PolarHBondContact O-ND2 3.14Å; M237-N239 VanDerWaalsContact C-N 3.29Å; M237-N239 PolarHBondContact O-N 3.12Å; N239-F241 VanDerWaalsContact C-N 3.27Å; N239-F241 PolarHBondContact O-N 3.33Å; N239-S242 PolarHBondContact O-N 3.29Å
240	A	96.3	Very high	93.1	Very high	19 Å²	19	44.7 Å²	44.7	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-26.8	-177.6	0	0	0	0	0	113.5	R216 F230 N236 M237	R216-A240 HydrophobicContact CG-CB 4.12Å; F230-A240 HydrophobicContact CE2-CB 3.79Å; F230-A240 HydrophobicContact CZ-CB 3.73Å; N236-A240 WeakPolarHBondContact O-CB 3.21Å; N236-A240 PolarHBondContact O-N 3.38Å; M237-A240 PolarHBondContact O-N 2.92Å
241	F	97.3	Very high	92.7	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	11.3	-179.7	-61.9	-69.6	0	0	0	113.2	L143 L204 L206 T214 R216 M237 N239 L243 I246	L143-F241 HydrophobicContact CD1-CD1 3.72Å; L143-F241 HydrophobicContact CD1-CD2 4.05Å; L143-F241 HydrophobicContact CD1-CE1 3.78Å; L143-F241 HydrophobicContact CD1-CE2 4.14Å; L143-F241 HydrophobicContact CD1-CG 3.87Å; L143-F241 HydrophobicContact CD1-CZ 4Å; L143-F241 HydrophobicContact CD2-CD2 4.25Å; L143-F241 HydrophobicContact CD2-CG 4.45Å; L204-F241 HydrophobicContact CB-CE1 4.45Å; L204-F241 HydrophobicContact CB-CE2 3.83Å; L204-F241 HydrophobicContact CB-CZ 3.48Å; L204-F241 VanDerWaalsContact CB-CZ 3.48Å; L204-F241 HydrophobicContact CD1-CE2 3.84Å; L204-F241 HydrophobicContact CD1-CZ 4.39Å; L206-F241 HydrophobicContact CB-CD1 3.9Å; L206-F241 HydrophobicContact CB-CE1 4.31Å; T214-F241 HydrophobicContact CG2-CD1 3.63Å; T214-F241 HydrophobicContact CG2-CE1 3.82Å; R216-F241 HydrophobicContact CB-CE2 4.36Å; R216-F241 HydrophobicContact CB-CZ 3.86Å; R216-F241 HydrophobicContact CG-CE1 4.38Å; R216-F241 HydrophobicContact CG-CE2 4.17Å; R216-F241 HydrophobicContact CG-CZ 3.72Å; M237-F241 VanDerWaalsContact O-CD2 3.29Å; M237-F241 WeakPolarHBondContact O-CD2 3.48Å; M237-F241 PolarHBondContact O-N 2.89Å; M237-F241 VanDerWaalsContact O-N 3.09Å; N239-F241 VanDerWaalsContact C-N 3.27Å; N239-F241 PolarHBondContact O-N 3.33Å; F241-L243 HydrophobicContact CB-CD2 3.8Å; F241-L243 HydrophobicContact CB-CG 4.02Å; F241-L243 PolarHBondContact O-N 3.15Å; F241-L243 VanDerWaalsContact O-N 3.13Å; F241-I246 WeakPolarHBondContact O-CD1 3.44Å
242	S	96.2	Very high	92.3	Very high	46 Å²	46	52.2 Å²	52.2	32%	0.322	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	41	-179.5	-62.2	0	0	0	0	113.7	I238 N239 N244 E245 I246	I238-S242 WeakPolarHBondContact O-CA 3.22Å; I238-S242 PolarHBondContact O-N 3.49Å; N239-S242 PolarHBondContact O-N 3.29Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.35Å; S242-E245 WeakPolarHBondContact CB-OE2 3.32Å; S242-E245 PolarHBondContact O-N 3.42Å; S242-E245 VanDerWaalsContact O-N 3.11Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; S242-I246 PolarHBondContact O-N 3.41Å
243	L	96.1	Very high	91.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-35.4	-170.7	-62.5	-175.2	0	0	0	112.5	L143 L164 F168 M173 F175 I238 F241 Y247	L143-L243 HydrophobicContact CD2-CD2 4.4Å; L164-L243 HydrophobicContact CD1-CD1 4.36Å; L164-L243 HydrophobicContact CD2-CD1 3.92Å; F168-L243 HydrophobicContact CD1-CB 3.82Å; F168-L243 HydrophobicContact CD2-CB 4.4Å; F168-L243 HydrophobicContact CD2-CD1 4.15Å; F168-L243 HydrophobicContact CE1-CB 3.93Å; F168-L243 HydrophobicContact CE2-CD1 4.49Å; F168-L243 HydrophobicContact CG-CB 4.07Å; F168-L243 HydrophobicContact CG-CD1 4.4Å; F168-L243 HydrophobicContact CZ-CB 4.28Å; M173-L243 HydrophobicContact CE-CD2 3.64Å; F175-L243 HydrophobicContact CZ-CD1 4.45Å; I238-L243 HydrophobicContact CG1-CB 4.47Å; I238-L243 HydrophobicContact CG1-CD1 4.2Å; I238-L243 HydrophobicContact CG2-CB 4.38Å; I238-L243 PolarHBondContact O-N 2.87Å; F241-L243 HydrophobicContact CB-CD2 3.8Å; F241-L243 HydrophobicContact CB-CG 4.02Å; F241-L243 PolarHBondContact O-N 3.15Å; F241-L243 VanDerWaalsContact O-N 3.13Å; L243-Y247 WeakPolarHBondContact O-CB 3.4Å; L243-Y247 PolarHBondContact O-N 2.83Å
244	N	94.7	Very high	90.7	Very high	84 Å²	84	57.5 Å²	57.5	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-44	175.5	-72.2	-26.7	0	0	0	112.3	F168 I238 S242 Y247 T248	F168-N244 VanDerWaalsContact CE1-OD1 3.31Å; F168-N244 WeakPolarHBondContact CE1-OD1 3.41Å; F168-N244 WeakPolarHBondContact CZ-OD1 3.46Å; I238-N244 HydrophobicContact CG2-CB 4.48Å; I238-N244 VanDerWaalsContact CG2-ND2 3.29Å; I238-N244 WeakPolarHBondContact CG2-ND2 3.48Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.35Å; N244-Y247 PolarHBondContact O-N 3.21Å; N244-T248 WeakPolarHBondContact O-CB 3.49Å; N244-T248 PolarHBondContact O-N 3.25Å; N244-T248 PolarHBondContact O-OG1 3.46Å
245	E	93.7	Very high	89.6	Confident	121 Å²	121	57.8 Å²	57.8	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-67.5	-46.6	-179.6	-65.1	170.3	-167.7	0	0	110.5	S242 Y247 T248 N249	S242-E245 WeakPolarHBondContact CB-OE2 3.32Å; S242-E245 PolarHBondContact O-N 3.42Å; S242-E245 VanDerWaalsContact O-N 3.11Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; E245-Y247 PolarHBondContact O-N 3.49Å; E245-T248 PolarHBondContact O-N 3.04Å; E245-N249 WeakPolarHBondContact O-CB 3.49Å; E245-N249 PolarHBondContact O-N 3.21Å; E245-N249 PolarHBondContact O-ND2 3.3Å
246	I	92	Very high	88.1	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.077	32%	0.321	C	S	.	.	H	α-helix	trans	-56.1	-52.3	176.2	-65	169.8	0	0	0	109.1	T141 M173 L206 F241 S242 T248 N249 Q250	T141-I246 HydrophobicContact CG2-CD1 4.38Å; M173-I246 HydrophobicContact CB-CG2 4.28Å; M173-I246 HydrophobicContact CG-CG2 4.29Å; M173-I246 HydrophobicContact SD-CG2 4Å; L206-I246 HydrophobicContact CD1-CD1 4.49Å; L206-I246 HydrophobicContact CD2-CD1 4.22Å; F241-I246 WeakPolarHBondContact O-CD1 3.44Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; S242-I246 PolarHBondContact O-N 3.41Å; I246-T248 PolarHBondContact O-N 3.06Å; I246-N249 PolarHBondContact O-N 2.87Å; I246-Q250 VanDerWaalsContact O-CG 3.29Å; I246-Q250 WeakPolarHBondContact O-CG 2.94Å; I246-Q250 PolarHBondContact O-N 2.9Å
247	Y	92.2	Very high	86.4	Confident	58 Å²	58	58.1 Å²	58.1	23%	0.227	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-40	-178	-175	-103	0	0	0	113.4	E167 F168 T170 L243 N244 E245 Q250 K251	E167-Y247 WeakPolarHBondContact O-CE2 3.35Å; F168-Y247 HydrophobicContact CD1-CD2 4.34Å; F168-Y247 HydrophobicContact CD1-CG 4.11Å; T170-Y247 HydrophobicContact CG2-CD2 3.77Å; T170-Y247 HydrophobicContact CG2-CE2 3.62Å; L243-Y247 WeakPolarHBondContact O-CB 3.4Å; L243-Y247 PolarHBondContact O-N 2.83Å; N244-Y247 PolarHBondContact O-N 3.21Å; E245-Y247 VanDerWaalsContact C-N 3.33Å; E245-Y247 PolarHBondContact O-N 3.49Å; Y247-Q250 PolarHBondContact O-N 3.13Å; Y247-K251 HydrophobicContact CD1-CD 4.38Å; Y247-K251 HydrophobicContact CE1-CD 3.9Å; Y247-K251 PolarHBondContact O-N 3.06Å; Y247-K251 VanDerWaalsContact O-N 3.1Å; Y247-K251 WeakPolarHBondContact OH-CE 3.18Å; Y247-K251 PolarHBondContact OH-NZ 3.31Å
248	T	91.7	Very high	84.6	Confident	66 Å²	66	64.5 Å²	64.5	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-44.7	177.5	-56.9	0	0	0	0	111.6	N244 E245 I246 Q250 K251 Q252	N244-T248 WeakPolarHBondContact O-CB 3.49Å; N244-T248 PolarHBondContact O-N 3.25Å; N244-T248 PolarHBondContact O-OG1 3.46Å; E245-T248 PolarHBondContact O-N 3.04Å; I246-T248 PolarHBondContact O-N 3.06Å; T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 3.16Å; T248-K251 PolarHBondContact O-N 2.93Å; T248-Q252 WeakPolarHBondContact O-CG 3.05Å; T248-Q252 PolarHBondContact O-N 2.71Å
249	N	89.8	Confident	82.5	Confident	86 Å²	86	70.9 Å²	70.9	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-36	177.5	-67.8	-19.9	0	0	0	111.7	E245 I246 T253	E245-N249 WeakPolarHBondContact O-CB 3.49Å; E245-N249 PolarHBondContact O-N 3.21Å; E245-N249 PolarHBondContact O-ND2 3.3Å; I246-N249 PolarHBondContact O-N 2.87Å; N249-T253 WeakPolarHBondContact O-CB 2.85Å; N249-T253 PolarHBondContact O-N 3.37Å; N249-T253 PolarHBondContact O-OG1 2.89Å
250	Q	87	Confident	80.5	Confident	23 Å²	23	70 Å²	70	11%	0.107	39%	0.394	C	S	.	.	H	α-helix	trans	-68.7	-39.6	176.1	-64.8	-52.1	-20.3	0	0	112.6	L172 I246 Y247 T248 T253 S254	L172-Q250 HydrophobicContact CB-CG 4.07Å; L172-Q250 VanDerWaalsContact CB-OE1 3.26Å; I246-Q250 VanDerWaalsContact O-CG 3.29Å; I246-Q250 WeakPolarHBondContact O-CG 2.94Å; I246-Q250 PolarHBondContact O-N 2.9Å; Y247-Q250 PolarHBondContact O-N 3.13Å; T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 3.16Å; Q250-T253 PolarHBondContact O-N 3.44Å; Q250-S254 WeakPolarHBondContact O-CB 3.38Å; Q250-S254 PolarHBondContact O-N 2.87Å; Q250-S254 PolarHBondContact O-OG 2.73Å
251	K	82.4	Confident	78.3	Confident	121 Å²	121	72.4 Å²	72.4	53%	0.526	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-41.7	174.9	-78.9	-171.6	172.5	177.7	0	112.2	Y247 T248 S254 G255	Y247-K251 HydrophobicContact CD1-CD 4.38Å; Y247-K251 HydrophobicContact CE1-CD 3.9Å; Y247-K251 PolarHBondContact O-N 3.06Å; Y247-K251 VanDerWaalsContact O-N 3.1Å; Y247-K251 WeakPolarHBondContact OH-CE 3.18Å; Y247-K251 PolarHBondContact OH-NZ 3.31Å; T248-K251 PolarHBondContact O-N 2.93Å; K251-S254 PolarHBondContact O-N 3.34Å; K251-G255 PolarHBondContact O-N 3.14Å
252	Q	82.7	Confident	75.7	Confident	118 Å²	118	76.4 Å²	76.4	55%	0.551	45%	0.449	S	S	*	.	H	α-helix	trans	-63.5	-45.7	175.9	-70	176.3	0.1	0	0	111.2	T248 S254 G255 V256	T248-Q252 WeakPolarHBondContact O-CG 3.05Å; T248-Q252 PolarHBondContact O-N 2.71Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 2.91Å; Q252-G255 PolarHBondContact O-N 3.13Å; Q252-V256 VanDerWaalsContact O-CG2 3.29Å; Q252-V256 WeakPolarHBondContact O-CG2 3.36Å; Q252-V256 PolarHBondContact O-N 3.38Å
253	T	77.2	Confident	72.8	Confident	87 Å²	87	79.8 Å²	79.8	53%	0.534	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-40.6	177.7	-52.9	0	0	0	0	111.8	N249 Q250 A257	N249-T253 WeakPolarHBondContact O-CB 2.85Å; N249-T253 PolarHBondContact O-N 3.37Å; N249-T253 PolarHBondContact O-OG1 2.89Å; Q250-T253 PolarHBondContact O-N 3.44Å; T253-A257 PolarHBondContact O-N 2.95Å
254	S	71.4	Confident	69.8	Low	64 Å²	64	83.5 Å²	83.5	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-73	-37.2	178	-52.6	0	0	0	0	112.5	Q250 K251 Q252 A257 N258	Q250-S254 WeakPolarHBondContact O-CB 3.38Å; Q250-S254 PolarHBondContact O-N 2.87Å; Q250-S254 PolarHBondContact O-OG 2.73Å; K251-S254 PolarHBondContact O-N 3.34Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 2.91Å; S254-A257 PolarHBondContact O-N 2.9Å; S254-N258 PolarHBondContact O-N 3.25Å; S254-N258 VanDerWaalsContact O-N 3.09Å
255	G	68.3	Low	67.3	Low	32 Å²	32	86.2 Å²	86.2	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-41.6	176.7	0	0	0	0	0	112.8	K251 Q252 A257 N258 Q259	K251-G255 PolarHBondContact O-N 3.14Å; Q252-G255 PolarHBondContact O-N 3.13Å; G255-A257 VanDerWaalsContact C-N 3.35Å; G255-N258 PolarHBondContact O-N 2.92Å; G255-Q259 PolarHBondContact O-N 3.13Å
256	V	61.3	Low	64.6	Low	89 Å²	89	86 Å²	86	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-39.8	174.9	174	0	0	0	0	110.9	Q252 N258 Q259 C260	Q252-V256 VanDerWaalsContact O-CG2 3.29Å; Q252-V256 WeakPolarHBondContact O-CG2 3.36Å; Q252-V256 PolarHBondContact O-N 3.38Å; V256-N258 VanDerWaalsContact C-N 3.32Å; V256-N258 PolarHBondContact O-N 3.19Å; V256-Q259 PolarHBondContact O-N 3.07Å; V256-C260 PolarHBondContact O-N 3.08Å
257	A	57.7	Low	62	Low	62 Å²	62	91.4 Å²	91.4	51%	0.512	55%	0.552	S	S	.	*	H	α-helix	trans	-61.1	-40.5	174.8	0	0	0	0	0	112.1	T253 S254 G255 G261	T253-A257 PolarHBondContact O-N 2.95Å; S254-A257 PolarHBondContact O-N 2.9Å; G255-A257 VanDerWaalsContact C-N 3.35Å; A257-G261 PolarHBondContact O-N 3.07Å
258	N	56.6	Low	59.4	Low	133 Å²	133	98.3 Å²	98.3	71%	0.711	58%	0.584	S	S	*	*	H	α-helix	trans	-68.2	-33.2	175.8	-76	-3.5	0	0	0	113	S254 G255 V256	S254-N258 PolarHBondContact O-N 3.25Å; S254-N258 VanDerWaalsContact O-N 3.09Å; G255-N258 PolarHBondContact O-N 2.92Å; V256-N258 VanDerWaalsContact C-N 3.32Å; V256-N258 PolarHBondContact O-N 3.19Å
259	Q	52.6	Low	57	Low	145 Å²	145	102 Å²	102	68%	0.678	60%	0.601	S	S	*	*	H	α-helix	trans	-72.4	-45.8	176	-74	-178.2	-10	0	0	112.1	G255 V256 G261 S262	G255-Q259 PolarHBondContact O-N 3.13Å; V256-Q259 PolarHBondContact O-N 3.07Å; Q259-G261 PolarHBondContact O-N 2.02Å; Q259-S262 PolarHBondContact O-N 2.82Å; Q259-S262 VanDerWaalsContact O-N 3.09Å; Q259-S262 PolarHBondContact O-OG 2.79Å
260	C	53.5	Low	54.6	Low	95 Å²	95	107 Å²	107	64%	0.642	62%	0.619	S	S	*	*	H	α-helix	trans	-65.5	-25	175.6	-96.4	0	0	0	0	113.2	V256 S262 T263	V256-C260 PolarHBondContact O-N 3.08Å; C260-S262 PolarHBondContact O-N 3.04Å; C260-T263 PolarHBondContact O-OG1 3.26Å
261	G	49.9	Very low	52.5	Low	70 Å²	70	113 Å²	113	72%	0.722	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9.1	173.6	0	0	0	0	0	114.6	A257 Q259	A257-G261 PolarHBondContact O-N 3.07Å; Q259-G261 PolarHBondContact O-N 2.02Å
262	S	43.4	Very low	50.4	Low	87 Å²	87	118.9 Å²	118.9	61%	0.608	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	8.4	-176.8	68.8	0	0	0	0	114.8	Q259 C260 S264	Q259-S262 PolarHBondContact O-N 2.82Å; Q259-S262 VanDerWaalsContact O-N 3.09Å; Q259-S262 PolarHBondContact O-OG 2.79Å; C260-S262 PolarHBondContact O-N 3.04Å; S262-S264 VanDerWaalsContact C-N 3.31Å; S262-S264 PolarHBondContact O-N 2.93Å; S262-S264 VanDerWaalsContact O-N 3.1Å
263	T	35	Very low	48.8	Very low	117 Å²	117	118.9 Å²	118.9	72%	0.718	69%	0.694	S	S	*	*			trans	-81.9	83.9	164.1	46.7	0	0	0	0	109.2	C260	C260-T263 PolarHBondContact O-OG1 3.26Å
264	S	33.6	Very low	47.3	Very low	81 Å²	81	120.6 Å²	120.6	57%	0.566	70%	0.702	S	S	*	*			trans	-58.1	131.9	167.1	51.4	0	0	0	0	109.7	S262 T266	S262-S264 VanDerWaalsContact C-N 3.31Å; S262-S264 PolarHBondContact O-N 2.93Å; S262-S264 VanDerWaalsContact O-N 3.1Å; S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 3.16Å
265	P	40.8	Very low	46	Very low	140 Å²	140	123.7 Å²	123.7	91%	0.909	72%	0.716	S	S	*	*			trans	-72.3	88.8	174.3	29.7	-31.8	0	0	0	108.6
266	T	37.3	Very low	44.6	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	74%	0.739	S	S	*	*			trans	-101.4	138.2	168.5	39.8	0	0	0	0	109.8	S264	S264-T266 VanDerWaalsContact C-N 3.3Å; S264-T266 PolarHBondContact O-N 3.16Å
267	D	37.4	Very low	43.6	Very low	127 Å²	127	131.6 Å²	131.6	68%	0.679	75%	0.752	S	S	*	*			trans	94	60.5	167.5	-139.2	12.8	0	0	0	116.9
268	K	38.3	Very low	42.7	Very low	204 Å²	204	136.3 Å²	136.3	89%	0.887	77%	0.768	S	S	*	*			trans	-123.2	59.6	147.3	-84.2	-164.7	178	-175.6	0	109.4
269	D	40.4	Very low	41.7	Very low	143 Å²	143	136.5 Å²	136.5	77%	0.765	77%	0.772	S	S	*	*			trans	-151.1	70.8	166.2	-82.2	-41.3	0	0	0	109.5
270	K	40.8	Very low	40.8	Very low	192 Å²	192	135.8 Å²	135.8	84%	0.835	78%	0.779	S	S	*	*			trans	-107.8	99.7	152.2	-84	-173.4	-179.5	175.4	0	108.3
271	N	43	Very low	39.8	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	79%	0.79	S	S	*	*			trans	-32	132.2	173.1	-67.5	-53.2	0	0	0	114.9
272	L	37.4	Very low	38.9	Very low	243 Å²	243	145.5 Å²	145.5	100%	1.272	80%	0.796	S	S	*	*			trans	-15.6	0	137.3	-149.4	78.2	0	0	0	115.8

Retrieved 272 of 272 residues in 193.5 ms (Link to these results)

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