G4VPI1_SCHMA Loading...

Holocytochrome c-type synthase

Lyase that catalyzes the covalent linking of the heme group to the cytochrome C apoprotein to produce the mature functional cytochrome.

AlphaFold DB , UniProt , Accession G4VPI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	49	Very low	244 Å²	244	111.9 Å²	111.9	100%	1.202	62%	0.618	S	S	*	*				0	100.2	0	-68.8	176.6	-169	0	0	106.9	L3	M1-L3 PolarHBondContact O-N 3.18Å
2	G	40.1	Very low	49.6	Very low	75 Å²	75	109.3 Å²	109.3	77%	0.773	61%	0.607	S	S	*	*			trans	-72.2	120.6	-179.2	0	0	0	0	0	109.5	I4	G2-I4 VanDerWaalsContact C-N 3.33Å; G2-I4 PolarHBondContact O-N 2.87Å
3	L	44.5	Very low	50.2	Low	178 Å²	178	104.8 Å²	104.8	93%	0.932	58%	0.579	S	S	*	*			trans	-66.4	95.5	169.2	-69.3	166.3	0	0	0	107.3	M1 S5	M1-L3 PolarHBondContact O-N 3.18Å; L3-S5 PolarHBondContact O-N 3.46Å; L3-S5 VanDerWaalsContact O-N 3.13Å
4	I	43.1	Very low	50.9	Low	121 Å²	121	97.8 Å²	97.8	62%	0.621	54%	0.54	S	S	*	.			trans	-62.3	115.8	168.4	-59.8	174.5	0	0	0	105.6	G2 S6 S8 Q9	G2-I4 VanDerWaalsContact C-N 3.33Å; G2-I4 PolarHBondContact O-N 2.87Å; I4-S6 PolarHBondContact O-N 2.95Å; I4-S8 WeakPolarHBondContact CG2-OG 3.39Å; I4-Q9 HydrophobicContact CG2-CG 4.13Å
5	S	50	Low	51.4	Low	70 Å²	70	93.9 Å²	93.9	49%	0.49	52%	0.515	S	S	.	.			trans	-58.9	137.4	-175.9	176.8	0	0	0	0	110.2	L3 R7 S8 Q9	L3-S5 PolarHBondContact O-N 3.46Å; L3-S5 VanDerWaalsContact O-N 3.13Å; S5-R7 PolarHBondContact O-N 3.18Å; S5-R7 VanDerWaalsContact O-N 3.08Å; S5-S8 PolarHBondContact N-OG 3.38Å; S5-S8 WeakPolarHBondContact O-CB 3.47Å; S5-S8 PolarHBondContact O-N 3.1Å; S5-S8 PolarHBondContact O-OG 3.05Å; S5-Q9 PolarHBondContact O-N 3.27Å
6	S	56.1	Low	52.1	Low	94 Å²	94	94.6 Å²	94.6	66%	0.657	51%	0.514	S	S	*	.	H	α-helix	trans	-51.1	-34.9	176.5	54.7	0	0	0	0	112.5	I4 S8 Q9 Q10	I4-S6 PolarHBondContact O-N 2.95Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 2.87Å; S6-Q9 PolarHBondContact O-N 3.41Å; S6-Q10 PolarHBondContact O-N 2.94Å
7	R	53.5	Low	52.6	Low	173 Å²	173	89.6 Å²	89.6	65%	0.653	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-36.1	176.3	-168.2	174.9	-175.7	-174.5	0.9	112.8	S5 V11	S5-R7 PolarHBondContact O-N 3.18Å; S5-R7 VanDerWaalsContact O-N 3.08Å; R7-V11 VanDerWaalsContact O-CG2 3.27Å; R7-V11 WeakPolarHBondContact O-CG2 3.33Å; R7-V11 PolarHBondContact O-N 3.01Å; R7-V11 VanDerWaalsContact O-N 3.08Å
8	S	50.5	Low	52.9	Low	51 Å²	51	85.5 Å²	85.5	36%	0.357	46%	0.464	S	S	.	.	H	α-helix	trans	-72.5	-35.3	178.6	63.2	0	0	0	0	112.6	I4 S5 S6 V12	I4-S8 WeakPolarHBondContact CG2-OG 3.39Å; S5-S8 PolarHBondContact N-OG 3.38Å; S5-S8 WeakPolarHBondContact O-CB 3.47Å; S5-S8 PolarHBondContact O-N 3.1Å; S5-S8 PolarHBondContact O-OG 3.05Å; S6-S8 VanDerWaalsContact C-N 3.32Å; S6-S8 PolarHBondContact O-N 2.87Å; S8-V12 VanDerWaalsContact O-CG2 3.27Å; S8-V12 WeakPolarHBondContact O-CG2 3.46Å; S8-V12 PolarHBondContact O-N 2.77Å; S8-V12 VanDerWaalsContact O-N 3.11Å
9	Q	53.5	Low	53.2	Low	121 Å²	121	86.9 Å²	86.9	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-65.8	-43.2	172.9	-72.2	-175.2	-30.9	0	0	111.2	I4 S5 S6 V11 V12 Q13	I4-Q9 HydrophobicContact CG2-CG 4.13Å; S5-Q9 PolarHBondContact O-N 3.27Å; S6-Q9 PolarHBondContact O-N 3.41Å; Q9-V11 PolarHBondContact O-N 3.23Å; Q9-V12 PolarHBondContact O-N 3.09Å; Q9-Q13 WeakPolarHBondContact O-CB 3.45Å; Q9-Q13 PolarHBondContact O-N 3.34Å
10	Q	54.9	Low	53.1	Low	57 Å²	57	88.1 Å²	88.1	27%	0.266	46%	0.464	S	S	.	.	H	α-helix	trans	-60	-44.9	177.8	-161.1	176.4	2.9	0	0	112.1	S6 V12 Q13 E14 D107	S6-Q10 PolarHBondContact O-N 2.94Å; Q10-V12 VanDerWaalsContact C-N 3.34Å; Q10-V12 PolarHBondContact O-N 3.26Å; Q10-Q13 PolarHBondContact O-N 2.74Å; Q10-E14 WeakPolarHBondContact O-CB 3.39Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 2.99Å; Q10-D107 WeakPolarHBondContact CG-OD1 3.08Å; Q10-D107 PolarHBondContact NE2-OD1 3.36Å
11	V	56.4	Low	52.9	Low	47 Å²	47	84.7 Å²	84.7	29%	0.285	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-36.5	176.5	170.5	0	0	0	0	112.3	R7 Q9 K15 V194	R7-V11 VanDerWaalsContact O-CG2 3.27Å; R7-V11 WeakPolarHBondContact O-CG2 3.33Å; R7-V11 PolarHBondContact O-N 3.01Å; R7-V11 VanDerWaalsContact O-N 3.08Å; Q9-V11 PolarHBondContact O-N 3.23Å; V11-K15 WeakPolarHBondContact O-CB 3.33Å; V11-K15 PolarHBondContact O-N 3.27Å; V11-V194 HydrophobicContact CG1-CB 4.2Å; V11-V194 HydrophobicContact CG1-CG2 3.61Å
12	V	56.3	Low	53	Low	80 Å²	80	74 Å²	74	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-66.5	-43.6	176.3	170.5	0	0	0	0	110.7	S8 Q9 Q10 K15 E16	S8-V12 VanDerWaalsContact O-CG2 3.27Å; S8-V12 WeakPolarHBondContact O-CG2 3.46Å; S8-V12 PolarHBondContact O-N 2.77Å; S8-V12 VanDerWaalsContact O-N 3.11Å; Q9-V12 PolarHBondContact O-N 3.09Å; Q10-V12 VanDerWaalsContact C-N 3.34Å; Q10-V12 PolarHBondContact O-N 3.26Å; V12-K15 WeakPolarHBondContact O-CB 3.42Å; V12-K15 PolarHBondContact O-N 3.36Å; V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 2.04Å
13	Q	56.7	Low	53.2	Low	52 Å²	52	72.2 Å²	72.2	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-44.6	178.7	-173.1	165.6	13	0	0	112	Q9 Q10 K15 E16 I17 D102	Q9-Q13 WeakPolarHBondContact O-CB 3.45Å; Q9-Q13 PolarHBondContact O-N 3.34Å; Q10-Q13 PolarHBondContact O-N 2.74Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 2.84Å; Q13-E16 PolarHBondContact O-N 3.24Å; Q13-I17 HydrophobicContact CG-CD1 4.22Å; Q13-I17 WeakPolarHBondContact O-CD1 3.38Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.49Å; Q13-I17 PolarHBondContact O-N 3.49Å; Q13-D102 VanDerWaalsContact NE2-CA 3.28Å; Q13-D102 PolarHBondContact NE2-O 3.33Å
14	E	60.6	Low	52.7	Low	6 Å²	6	70 Å²	70	3%	0.028	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-40.7	172	-74.4	169.3	-166.2	0	0	111.7	Q10 I17 L18 D107 N110	Q10-E14 WeakPolarHBondContact O-CB 3.39Å; Q10-E14 WeakPolarHBondContact O-CG 3.36Å; Q10-E14 PolarHBondContact O-N 2.99Å; E14-I17 PolarHBondContact O-N 2.93Å; E14-L18 WeakPolarHBondContact O-CB 3.3Å; E14-L18 WeakPolarHBondContact O-CD1 3.42Å; E14-L18 VanDerWaalsContact O-CG 3.23Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.76Å; E14-D107 HydrophobicContact CG-CB 4.41Å; E14-N110 HydrophobicContact CG-CB 4.39Å; E14-N110 VanDerWaalsContact OE1-CB 3.28Å; E14-N110 WeakPolarHBondContact OE1-CB 3.42Å; E14-N110 PolarHBondContact OE1-ND2 2.87Å
15	K	59	Low	52.3	Low	40 Å²	40	72.5 Å²	72.5	17%	0.174	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-41.9	177.3	-175.8	176.3	-175.3	174.5	0	112.1	V11 V12 Q13 L18 R19 D190 G192	V11-K15 WeakPolarHBondContact O-CB 3.33Å; V11-K15 PolarHBondContact O-N 3.27Å; V12-K15 WeakPolarHBondContact O-CB 3.42Å; V12-K15 PolarHBondContact O-N 3.36Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 2.84Å; K15-L18 PolarHBondContact O-N 3.08Å; K15-R19 VanDerWaalsContact CE-NH2 3.33Å; K15-R19 HydrophobicContact CG-CG 4.46Å; K15-R19 WeakPolarHBondContact O-CB 3.25Å; K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 3.14Å; K15-D190 WeakPolarHBondContact CE-OD1 3.38Å; K15-D190 WeakPolarHBondContact CE-OD2 3.48Å; K15-D190 IonicContact NZ-OD1 2.76Å; K15-D190 PolarHBondContact NZ-OD1 3.25Å; K15-D190 IonicContact NZ-OD2 3.19Å; K15-D190 PolarHBondContact NZ-OD2 3.18Å; K15-G192 PolarHBondContact NZ-O 2.62Å
16	E	61.6	Low	51.4	Low	105 Å²	105	72.1 Å²	72.1	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-46.4	173.4	-76.4	-179.5	168.8	0	0	110.5	V12 Q13 L18 R19 E20	V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 2.04Å; Q13-E16 PolarHBondContact O-N 3.24Å; E16-L18 VanDerWaalsContact C-N 3.31Å; E16-L18 PolarHBondContact O-N 2.94Å; E16-R19 PolarHBondContact O-N 3.38Å; E16-E20 WeakPolarHBondContact O-CA 3.45Å; E16-E20 WeakPolarHBondContact O-CB 3.13Å; E16-E20 VanDerWaalsContact O-CG 3.27Å; E16-E20 WeakPolarHBondContact O-CG 3.02Å; E16-E20 PolarHBondContact O-N 3.03Å
17	I	61	Low	50	Low	10 Å²	10	71.3 Å²	71.3	5%	0.051	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-40.9	176.9	-63.2	159.9	0	0	0	111.3	Q13 E14 C21 W96 W98 I103 I111	Q13-I17 HydrophobicContact CG-CD1 4.22Å; Q13-I17 WeakPolarHBondContact O-CD1 3.38Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.49Å; Q13-I17 PolarHBondContact O-N 3.49Å; E14-I17 PolarHBondContact O-N 2.93Å; I17-C21 WeakPolarHBondContact O-CA 3.48Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 3.34Å; I17-C21 PolarHBondContact O-SG 3.44Å; I17-W96 HydrophobicContact CG1-CZ2 4.42Å; I17-W96 HydrophobicContact CG2-CZ2 4.39Å; I17-W98 HydrophobicContact CD1-CZ3 4.48Å; I17-W98 HydrophobicContact CG2-CH2 4.15Å; I17-W98 HydrophobicContact CG2-CZ3 3.95Å; I17-I103 HydrophobicContact CD1-CD1 4.04Å; I17-I103 HydrophobicContact CD1-CG1 4.38Å; I17-I111 HydrophobicContact CB-CD1 3.95Å; I17-I111 HydrophobicContact CD1-CD1 3.87Å; I17-I111 HydrophobicContact CG2-CD1 3.47Å; I17-I111 VanDerWaalsContact CG2-CD1 3.47Å; I17-I111 HydrophobicContact CG2-CG1 4.38Å
18	L	58.4	Low	48.7	Very low	15 Å²	15	66.6 Å²	66.6	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-70.4	-34.8	177.7	-74.1	163.6	0	0	0	113.4	E14 K15 E16 C21 I111 I114 F200	E14-L18 WeakPolarHBondContact O-CB 3.3Å; E14-L18 WeakPolarHBondContact O-CD1 3.42Å; E14-L18 VanDerWaalsContact O-CG 3.23Å; E14-L18 WeakPolarHBondContact O-CG 3.38Å; E14-L18 PolarHBondContact O-N 2.76Å; K15-L18 PolarHBondContact O-N 3.08Å; E16-L18 VanDerWaalsContact C-N 3.31Å; E16-L18 PolarHBondContact O-N 2.94Å; L18-C21 WeakPolarHBondContact O-CB 3.47Å; L18-I111 HydrophobicContact CD2-CG2 4.01Å; L18-I111 HydrophobicContact CG-CG1 4.49Å; L18-I114 HydrophobicContact CD1-CB 4.4Å; L18-I114 HydrophobicContact CD1-CD1 3.96Å; L18-I114 HydrophobicContact CD1-CG2 3.64Å; L18-I114 HydrophobicContact CD2-CG2 4.22Å; L18-F200 HydrophobicContact CB-CE2 4.03Å; L18-F200 HydrophobicContact CB-CZ 4.16Å; L18-F200 HydrophobicContact CD1-CD1 4.31Å; L18-F200 HydrophobicContact CD1-CD2 4.34Å; L18-F200 HydrophobicContact CD1-CE1 4Å; L18-F200 HydrophobicContact CD1-CE2 3.98Å; L18-F200 HydrophobicContact CD1-CG 4.48Å; L18-F200 HydrophobicContact CD1-CZ 3.79Å; L18-F200 HydrophobicContact CD2-CZ 4.09Å; L18-F200 HydrophobicContact CG-CE2 4.49Å; L18-F200 HydrophobicContact CG-CZ 4.25Å
19	R	58	Low	47.8	Very low	113 Å²	113	70.4 Å²	70.4	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-72.6	-43.5	174.7	-77.3	172.2	167.3	-158.9	-3.4	111.7	K15 E16 C21 D190	K15-R19 VanDerWaalsContact CE-NH2 3.33Å; K15-R19 HydrophobicContact CG-CG 4.46Å; K15-R19 WeakPolarHBondContact O-CB 3.25Å; K15-R19 WeakPolarHBondContact O-CG 3.49Å; K15-R19 PolarHBondContact O-N 3.14Å; E16-R19 PolarHBondContact O-N 3.38Å; R19-C21 VanDerWaalsContact C-N 3.29Å; R19-D190 IonicContact CZ-OD2 3.03Å; R19-D190 IonicContact NE-OD2 2.66Å; R19-D190 PolarHBondContact NE-OD2 2.81Å; R19-D190 IonicContact NH2-OD1 3.94Å; R19-D190 IonicContact NH2-OD2 2.62Å; R19-D190 PolarHBondContact NH2-OD2 3.05Å
20	E	50.4	Low	47.2	Very low	109 Å²	109	70 Å²	70	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-80.9	-13.9	-178.7	-68.4	-167.6	167.7	0	0	111.6	E16 P22 W96	E16-E20 WeakPolarHBondContact O-CA 3.45Å; E16-E20 WeakPolarHBondContact O-CB 3.13Å; E16-E20 VanDerWaalsContact O-CG 3.27Å; E16-E20 WeakPolarHBondContact O-CG 3.02Å; E16-E20 PolarHBondContact O-N 3.03Å; E20-P22 VanDerWaalsContact C-N 3.35Å; E20-P22 WeakPolarHBondContact O-CA 3.46Å; E20-P22 WeakPolarHBondContact O-CD 3.18Å; E20-W96 HydrophobicContact CB-CH2 3.4Å; E20-W96 HydrophobicContact CB-CZ3 3.52Å; E20-W96 HydrophobicContact CG-CH2 4.39Å; E20-W96 VanDerWaalsContact O-CZ3 3.3Å; E20-W96 WeakPolarHBondContact O-CZ3 3.34Å; E20-W96 WeakPolarHBondContact OE2-CH2 3.4Å
21	C	48.7	Very low	46.6	Very low	17 Å²	17	72.3 Å²	72.3	12%	0.115	43%	0.43	C	S	.	.			trans	-42.5	100.7	171.8	-95.7	0	0	0	0	107.5	I17 L18 R19 I23 M91	I17-C21 WeakPolarHBondContact O-CA 3.48Å; I17-C21 WeakPolarHBondContact O-CB 3.32Å; I17-C21 PolarHBondContact O-N 3.34Å; I17-C21 PolarHBondContact O-SG 3.44Å; L18-C21 WeakPolarHBondContact O-CB 3.47Å; R19-C21 VanDerWaalsContact C-N 3.29Å; C21-I23 PolarHBondContact O-N 2.85Å; C21-M91 HydrophobicContact CB-CE 4.49Å
22	P	40.1	Very low	45.8	Very low	19 Å²	19	77 Å²	77	12%	0.123	45%	0.454	C	S	.	.			trans	-85.5	81.8	-167.2	31.1	-28.5	0	0	0	104.5	E20 Q24 K94 W96	E20-P22 VanDerWaalsContact C-N 3.35Å; E20-P22 WeakPolarHBondContact O-CA 3.46Å; E20-P22 WeakPolarHBondContact O-CD 3.18Å; P22-Q24 HydrophobicContact CB-CB 4.16Å; P22-Q24 HydrophobicContact CB-CG 4.49Å; P22-Q24 PolarHBondContact O-N 3.25Å; P22-K94 HydrophobicContact CG-CB 4.48Å; P22-K94 WeakPolarHBondContact O-CD 3.44Å; P22-W96 HydrophobicContact CG-CE3 3.83Å; P22-W96 HydrophobicContact CG-CZ3 4.42Å
23	I	43.8	Very low	45.3	Very low	38 Å²	38	78 Å²	78	20%	0.195	45%	0.453	C	S	.	.			trans	-71.1	4.2	154.5	-55.6	167.2	0	0	0	108.3	C21 K25 A149 D169	C21-I23 PolarHBondContact O-N 2.85Å; I23-K25 PolarHBondContact O-N 3.49Å; I23-K25 VanDerWaalsContact O-N 3.13Å; I23-A149 HydrophobicContact CB-CB 4.03Å; I23-A149 HydrophobicContact CG2-CB 3.92Å; I23-A149 VanDerWaalsContact O-CB 3.31Å; I23-A149 WeakPolarHBondContact O-CB 3.42Å; I23-D169 HydrophobicContact CD1-CB 4.33Å; I23-D169 WeakPolarHBondContact CD1-OD1 3.34Å; I23-D169 WeakPolarHBondContact CD1-OD2 3.24Å
24	Q	34.4	Very low	44.8	Very low	132 Å²	132	77.9 Å²	77.9	62%	0.617	47%	0.465	S	S	*	.	S	Bend	trans	-60	105.6	159.6	-54.7	-175.4	20.4	0	0	110.2	P22 G26	P22-Q24 HydrophobicContact CB-CB 4.16Å; P22-Q24 HydrophobicContact CB-CG 4.49Å; P22-Q24 PolarHBondContact O-N 3.25Å; Q24-G26 PolarHBondContact O-N 2.9Å
25	K	34.2	Very low	44.4	Very low	173 Å²	173	83.1 Å²	83.1	75%	0.752	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-46.5	127.7	157	-107.6	-177.9	174.2	178.3	0	106.9	I23 G27 K150	I23-K25 PolarHBondContact O-N 3.49Å; I23-K25 VanDerWaalsContact O-N 3.13Å; K25-G27 PolarHBondContact O-N 3.47Å; K25-K150 HydrophobicContact CB-CD 4.07Å; K25-K150 WeakPolarHBondContact O-CE 3.42Å; K25-K150 PolarHBondContact O-NZ 2.92Å
26	G	30.8	Very low	44.5	Very low	63 Å²	63	91.3 Å²	91.3	65%	0.649	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-52.1	144.7	173.4	0	0	0	0	0	111.5	Q24 K150	Q24-G26 PolarHBondContact O-N 2.9Å; G26-K150 PolarHBondContact O-NZ 2.91Å
27	G	28	Very low	45.1	Very low	77 Å²	77	91.7 Å²	91.7	79%	0.794	53%	0.527	S	S	*	.	S	Bend	trans	-72.6	142	155.2	0	0	0	0	0	108.5	K25	K25-G27 PolarHBondContact O-N 3.47Å
28	G	25.9	Very low	46.1	Very low	74 Å²	74	95.1 Å²	95.1	76%	0.763	55%	0.545	S	S	*	.	S	Bend	trans	87.2	115.4	-178	0	0	0	0	0	112.9
29	C	31.5	Very low	47.4	Very low	131 Å²	131	96.1 Å²	96.1	89%	0.885	55%	0.553	S	S	*	*			trans	-57.8	155.6	157.4	-55.1	0	0	0	0	109.1
30	P	41.5	Very low	48.7	Very low	112 Å²	112	96 Å²	96	73%	0.727	57%	0.566	S	S	*	*			cis	-139	122.9	13.4	35.6	-14.3	0	0	0	113.6
31	V	42.4	Very low	50.5	Low	105 Å²	105	93.6 Å²	93.6	64%	0.636	56%	0.556	S	S	*	*			trans	-130.7	77	142.7	-87.5	0	0	0	0	106.3	H33	V31-H33 WeakPolarHBondContact CG1-CE1 3.45Å; V31-H33 WeakPolarHBondContact CG1-ND1 3.43Å; V31-H33 PolarHBondContact O-N 2.97Å
32	D	38.5	Very low	52.4	Low	147 Å²	147	94 Å²	94	79%	0.786	56%	0.556	S	S	*	*				-57.8	69	129.8	-172.9	29	0	0	0	106.6	G34	D32-G34 PolarHBondContact O-N 3.32Å; D32-G34 WeakPolarHBondContact OD1-CA 3.42Å
33	H	45.4	Very low	54.4	Low	101 Å²	101	98.2 Å²	98.2	47%	0.468	58%	0.577	S	S	.	*			trans	-61.6	98.4	147.3	-76.5	-16	0	0	0	100.9	V31 Y35	V31-H33 WeakPolarHBondContact CG1-CE1 3.45Å; V31-H33 WeakPolarHBondContact CG1-ND1 3.43Å; V31-H33 PolarHBondContact O-N 2.97Å; H33-Y35 HydrophobicContact CB-CD2 3.53Å; H33-Y35 HydrophobicContact CB-CE2 3.75Å; H33-Y35 PolarHBondContact O-N 3.08Å
34	G	47.3	Very low	56.3	Low	49 Å²	49	99.9 Å²	99.9	51%	0.505	59%	0.585	S	S	.	*			trans	-61.8	52.1	179.6	0	0	0	0	0	111.8	D32 K36	D32-G34 PolarHBondContact O-N 3.32Å; D32-G34 WeakPolarHBondContact OD1-CA 3.42Å; G34-K36 PolarHBondContact O-N 2.93Å
35	Y	51.7	Low	58.7	Low	115 Å²	115	94.5 Å²	94.5	45%	0.451	56%	0.561	S	S	.	*			trans	-62.4	85.7	157.4	-77.3	-74.9	0	0	0	104.9	H33 D37 P45	H33-Y35 HydrophobicContact CB-CD2 3.53Å; H33-Y35 HydrophobicContact CB-CE2 3.75Å; H33-Y35 PolarHBondContact O-N 3.08Å; Y35-D37 PolarHBondContact O-N 2.65Å; Y35-P45 HydrophobicContact CD1-CB 3.78Å; Y35-P45 HydrophobicContact CD2-CB 4.48Å; Y35-P45 HydrophobicContact CE1-CB 3.87Å; Y35-P45 HydrophobicContact CG-CB 4.11Å
36	K	59.9	Low	61.2	Low	213 Å²	213	89.4 Å²	89.4	93%	0.926	55%	0.546	S	S	*	.	S	Bend	trans	-62.4	-10.4	165.4	-67.4	-179.8	177.8	-178.5	0	111.5	G34	G34-K36 PolarHBondContact O-N 2.93Å
37	D	75.6	Confident	63.8	Low	112 Å²	112	90.6 Å²	90.6	60%	0.599	54%	0.542	S	S	*	.			trans	-122	58	-171.5	-164.1	24.3	0	0	0	111.3	Y35 P46	Y35-D37 PolarHBondContact O-N 2.65Å; D37-P46 WeakPolarHBondContact O-CD 3.48Å
38	L	81.9	Confident	66.8	Low	83 Å²	83	90.7 Å²	90.7	44%	0.435	53%	0.525	S	S	.	.			trans	-83.8	134.3	167	-65.8	178.5	0	0	0	108.8	P45	L38-P45 HydrophobicContact CD2-CB 4.1Å
39	S	84.5	Confident	70.1	Confident	35 Å²	35	89.6 Å²	89.6	25%	0.245	50%	0.5	C	S	.	.			trans	-61.5	128.4	174.1	172.2	0	0	0	0	110	E41 N42 L43 M44	S39-E41 PolarHBondContact O-N 3.32Å; S39-E41 PolarHBondContact OG-N 3.47Å; S39-N42 WeakPolarHBondContact CB-OD1 3.36Å; S39-L43 WeakPolarHBondContact O-CA 3.22Å; S39-L43 PolarHBondContact O-N 2.86Å; S39-M44 PolarHBondContact N-O 3.34Å
40	P	87	Confident	73.1	Confident	110 Å²	110	89.3 Å²	89.3	71%	0.714	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.4	177.6	27	-34.3	0	0	0	112.9
41	E	88	Confident	75.6	Confident	60 Å²	60	88.1 Å²	88.1	28%	0.28	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-26.6	-174.8	-50.1	173.6	176.7	0	0	113	S39 W79 R144 F145	S39-E41 PolarHBondContact O-N 3.32Å; S39-E41 PolarHBondContact OG-N 3.47Å; E41-W79 HydrophobicContact CB-CH2 3.74Å; E41-W79 WeakPolarHBondContact OE2-CH2 2.97Å; E41-R144 CarbonylContact O-C 3.56Å; E41-R144 WeakPolarHBondContact O-CA 3.09Å; E41-R144 WeakPolarHBondContact O-CB 3.45Å; E41-F145 PolarHBondContact O-N 3.27Å
42	N	87.1	Confident	78	Confident	24 Å²	24	84.2 Å²	84.2	13%	0.128	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	2.8	-177	60.9	28.3	0	0	0	115.4	S39 M44 F145	S39-N42 WeakPolarHBondContact CB-OD1 3.36Å; N42-M44 HydrophobicContact CB-CE 4.22Å; N42-M44 HydrophobicContact CB-CG 4.36Å; N42-M44 WeakPolarHBondContact ND2-CE 3.41Å; N42-M44 PolarHBondContact O-N 3.12Å; N42-M44 VanDerWaalsContact OD1-CB 3.27Å; N42-M44 WeakPolarHBondContact OD1-CB 3.46Å; N42-M44 PolarHBondContact OD1-N 3.06Å; N42-F145 VanDerWaalsContact CA-O 3.25Å; N42-F145 WeakPolarHBondContact CA-O 3.28Å; N42-F145 HydrophobicContact CB-CD1 4.14Å; N42-F145 HydrophobicContact CB-CD2 4.22Å; N42-F145 HydrophobicContact CB-CE1 3.66Å; N42-F145 HydrophobicContact CB-CE2 3.74Å; N42-F145 HydrophobicContact CB-CG 4.42Å; N42-F145 HydrophobicContact CB-CZ 3.44Å; N42-F145 VanDerWaalsContact CB-CZ 3.44Å
43	L	84	Confident	80.4	Confident	108 Å²	108	83.7 Å²	83.7	57%	0.565	46%	0.463	S	S	*	.			trans	54.1	25.1	-178.1	-51.4	177.9	0	0	0	113.3	S39 A146	S39-L43 WeakPolarHBondContact O-CA 3.22Å; S39-L43 PolarHBondContact O-N 2.86Å; L43-A146 HydrophobicContact CD1-CB 4.17Å
44	M	83.8	Confident	82.4	Confident	74 Å²	74	82.8 Å²	82.8	37%	0.365	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-91.4	143.3	173.6	-62.4	-162.8	-72.9	0	0	110.5	S39 N42 F145	S39-M44 PolarHBondContact N-O 3.34Å; N42-M44 HydrophobicContact CB-CE 4.22Å; N42-M44 HydrophobicContact CB-CG 4.36Å; N42-M44 WeakPolarHBondContact ND2-CE 3.41Å; N42-M44 PolarHBondContact O-N 3.12Å; N42-M44 VanDerWaalsContact OD1-CB 3.27Å; N42-M44 WeakPolarHBondContact OD1-CB 3.46Å; N42-M44 PolarHBondContact OD1-N 3.06Å; M44-F145 HydrophobicContact CE-CZ 4.25Å
45	P	84.2	Confident	84.5	Confident	18 Å²	18	81.8 Å²	81.8	12%	0.117	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-68.2	170	168.2	31.8	-35.5	0	0	0	110.4	Y35 L38	Y35-P45 HydrophobicContact CD1-CB 3.78Å; Y35-P45 HydrophobicContact CD2-CB 4.48Å; Y35-P45 HydrophobicContact CE1-CB 3.87Å; Y35-P45 HydrophobicContact CG-CB 4.11Å; L38-P45 HydrophobicContact CD2-CB 4.1Å
46	P	85.2	Confident	86.3	Confident	66 Å²	66	80.4 Å²	80.4	43%	0.429	47%	0.468	S	S	.	.	S	Bend	trans	-53.8	144.5	175.9	-25.8	36	0	0	0	111.5	D37 N48	D37-P46 WeakPolarHBondContact O-CD 3.48Å; P46-N48 PolarHBondContact O-N 3.23Å
47	P	87	Confident	87.7	Confident	88 Å²	88	71.8 Å²	71.8	57%	0.571	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-62.5	124.1	-175.8	26	-34.4	0	0	0	111	M86	P47-M86 HydrophobicContact CB-CE 3.56Å; P47-M86 HydrophobicContact CB-SD 3.96Å
48	N	91.3	Very high	88.6	Confident	79 Å²	79	72 Å²	72	42%	0.422	44%	0.438	S	S	.	.			trans	-110.8	113.1	172.7	-178.7	12.3	0	0	0	110.2	P46 L50 N89	P46-N48 PolarHBondContact O-N 3.23Å; N48-L50 WeakPolarHBondContact OD1-CB 3.37Å; N48-L50 PolarHBondContact OD1-N 3.49Å; N48-N89 PolarHBondContact O-ND2 3.25Å
49	Q	94.4	Very high	89.1	Confident	51 Å²	51	68.9 Å²	68.9	24%	0.238	42%	0.422	C	S	.	.			trans	-104.2	4.7	-180	-68.1	-84.2	18.7	0	0	112.6	T61 S83 Q85 M86	Q49-T61 HydrophobicContact CB-CG2 4.13Å; Q49-T61 PolarHBondContact NE2-O 3.16Å; Q49-T61 VanDerWaalsContact OE1-CA 3.26Å; Q49-T61 VanDerWaalsContact OE1-CB 3.31Å; Q49-S83 PolarHBondContact NE2-OG 3.44Å; Q49-S83 PolarHBondContact OE1-OG 2.76Å; Q49-Q85 VanDerWaalsContact O-CG 3.24Å; Q49-Q85 WeakPolarHBondContact O-CG 3.46Å; Q49-M86 VanDerWaalsContact CD-CG 3.47Å; Q49-M86 HydrophobicContact CG-CG 3.95Å; Q49-M86 HydrophobicContact CG-SD 4.29Å; Q49-M86 PolarHBondContact NE2-SD 2.95Å
50	L	95.2	Very high	89.6	Confident	125 Å²	125	69.6 Å²	69.6	65%	0.654	43%	0.427	S	S	*	.	S	Bend	trans	-78.3	141.6	176.4	-62.7	176.4	0	0	0	110	N48 S52 N89	N48-L50 WeakPolarHBondContact OD1-CB 3.37Å; N48-L50 PolarHBondContact OD1-N 3.49Å; L50-S52 PolarHBondContact O-N 3.42Å; L50-N89 PolarHBondContact O-ND2 3.18Å
51	P	94.2	Very high	90.1	Very high	87 Å²	87	68.1 Å²	68.1	57%	0.565	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-55.6	138.1	170.7	-25.5	35	0	0	0	111.3
52	S	90.9	Very high	90.4	Very high	24 Å²	24	72.7 Å²	72.7	17%	0.168	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-75.1	151.8	173.8	-76.4	0	0	0	0	111	L50 G54 Q55 N89 L92	L50-S52 PolarHBondContact O-N 3.42Å; S52-G54 PolarHBondContact O-N 3.28Å; S52-Q55 WeakPolarHBondContact O-CB 3.03Å; S52-Q55 PolarHBondContact O-N 3.02Å; S52-Q55 VanDerWaalsContact O-N 3.07Å; S52-N89 PolarHBondContact OG-OD1 2.85Å; S52-L92 VanDerWaalsContact CB-CD1 3.49Å; S52-L92 WeakPolarHBondContact OG-CD1 3.48Å
53	P	90.5	Very high	90.8	Very high	136 Å²	136	76.3 Å²	76.3	88%	0.883	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	130.8	174.4	-25.4	34.6	0	0	0	111.9	Q55	P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 3.16Å
54	G	87.8	Confident	91.4	Very high	81 Å²	81	76 Å²	76	84%	0.835	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	9.7	-179.1	0	0	0	0	0	115.1	S52 P56	S52-G54 PolarHBondContact O-N 3.28Å; G54-P56 WeakPolarHBondContact O-CD 3.47Å
55	Q	90.9	Very high	92	Very high	29 Å²	29	77.9 Å²	77.9	14%	0.136	46%	0.456	C	S	.	.			trans	-61.2	122.9	174.6	-175.9	178.1	-49.5	0	0	110.4	S52 P53 F57 W88	S52-Q55 WeakPolarHBondContact O-CB 3.03Å; S52-Q55 PolarHBondContact O-N 3.02Å; S52-Q55 VanDerWaalsContact O-N 3.07Å; P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 3.16Å; Q55-F57 WeakPolarHBondContact CG-O 3.3Å; Q55-F57 PolarHBondContact NE2-O 3.43Å; Q55-F57 PolarHBondContact O-N 3.27Å; Q55-W88 HydrophobicContact CB-CZ2 4.49Å; Q55-W88 HydrophobicContact CG-CZ2 3.98Å
56	P	88.9	Confident	92.6	Very high	85 Å²	85	77.2 Å²	77.2	55%	0.552	45%	0.451	S	S	*	.	S	Bend	trans	-76.2	-20.3	-167.1	26.5	-33.7	0	0	0	114.5	G54 W88	G54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-W88 HydrophobicContact CG-CH2 4.25Å
57	F	90.3	Very high	93.1	Very high	32 Å²	32	76.7 Å²	76.7	14%	0.14	45%	0.449	C	S	.	.	S	Bend	trans	-148.3	154.5	-179.2	45.9	-101.7	0	0	0	111.5	Q55 L59 W88 I103 P105	Q55-F57 WeakPolarHBondContact CG-O 3.3Å; Q55-F57 PolarHBondContact NE2-O 3.43Å; Q55-F57 PolarHBondContact O-N 3.27Å; F57-L59 HydrophobicContact CD2-CD2 4.01Å; F57-L59 HydrophobicContact CD2-CG 4.14Å; F57-L59 HydrophobicContact CE2-CD2 3.66Å; F57-L59 HydrophobicContact CE2-CG 4.04Å; F57-W88 HydrophobicContact CE2-CZ3 4.37Å; F57-W88 HydrophobicContact CZ-CH2 4.46Å; F57-W88 HydrophobicContact CZ-CZ3 4.04Å; F57-I103 HydrophobicContact CE1-CG2 4.41Å; F57-I103 WeakPolarHBondContact CE1-O 3.48Å; F57-I103 HydrophobicContact CZ-CG2 4.1Å; F57-P105 HydrophobicContact CB-CG 4.06Å; F57-P105 HydrophobicContact CD1-CG 4.11Å; F57-P105 HydrophobicContact CD2-CB 4.07Å; F57-P105 HydrophobicContact CD2-CG 3.65Å; F57-P105 HydrophobicContact CE1-CG 4.5Å; F57-P105 HydrophobicContact CE2-CB 4.24Å; F57-P105 HydrophobicContact CE2-CG 4.06Å; F57-P105 HydrophobicContact CG-CG 3.68Å; F57-P105 HydrophobicContact CZ-CG 4.46Å
58	P	92.6	Very high	93.6	Very high	117 Å²	117	72.6 Å²	72.6	76%	0.76	42%	0.423	S	S	*	.			trans	-66	142.4	173.9	29	-34.9	0	0	0	110.7
59	L	94.2	Very high	93.9	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.094	41%	0.411	C	S	.	.			trans	-117	147.2	173.9	-75.4	172.6	0	0	0	109.9	F57 T61 P84 Q85 W88 M108	F57-L59 HydrophobicContact CD2-CD2 4.01Å; F57-L59 HydrophobicContact CD2-CG 4.14Å; F57-L59 HydrophobicContact CE2-CD2 3.66Å; F57-L59 HydrophobicContact CE2-CG 4.04Å; L59-T61 PolarHBondContact O-N 2.75Å; L59-P84 HydrophobicContact CB-CB 4.27Å; L59-P84 HydrophobicContact CD2-CB 4.16Å; L59-Q85 HydrophobicContact CB-CB 3.98Å; L59-W88 HydrophobicContact CD1-CB 3.45Å; L59-W88 VanDerWaalsContact CD1-CB 3.45Å; L59-W88 HydrophobicContact CD1-CD2 3.74Å; L59-W88 HydrophobicContact CD1-CE3 3.68Å; L59-W88 HydrophobicContact CD1-CG 3.66Å; L59-M108 HydrophobicContact CD1-CG 4.35Å; L59-M108 HydrophobicContact CD2-CB 3.89Å; L59-M108 HydrophobicContact CD2-CG 3.7Å
60	S	95.2	Very high	94	Very high	50 Å²	50	70.1 Å²	70.1	35%	0.35	41%	0.41	S	S	.	.			trans	-62.6	139	176.1	-177	0	0	0	0	110.8	E62 P84 Q85	S60-E62 VanDerWaalsContact OG-CB 3.25Å; S60-E62 WeakPolarHBondContact OG-CB 3.45Å; S60-E62 PolarHBondContact OG-N 2.95Å; S60-E62 VanDerWaalsContact OG-N 3.1Å; S60-P84 WeakPolarHBondContact O-CD 3.25Å; S60-Q85 WeakPolarHBondContact O-CB 3.47Å; S60-Q85 PolarHBondContact O-N 3.24Å
61	T	95.7	Very high	93.9	Very high	79 Å²	79	64.7 Å²	64.7	49%	0.485	38%	0.384	S	S	.	.			trans	-95.9	-3.5	171.6	57.9	0	0	0	0	112.2	Q49 L59 S83 Q85	Q49-T61 HydrophobicContact CB-CG2 4.13Å; Q49-T61 PolarHBondContact NE2-O 3.16Å; Q49-T61 VanDerWaalsContact OE1-CA 3.26Å; Q49-T61 VanDerWaalsContact OE1-CB 3.31Å; L59-T61 PolarHBondContact O-N 2.75Å; T61-S83 VanDerWaalsContact C-CB 3.43Å; T61-S83 WeakPolarHBondContact O-CB 3.27Å; T61-Q85 HydrophobicContact CG2-CB 4.2Å; T61-Q85 HydrophobicContact CG2-CG 4.34Å
62	E	95.5	Very high	93.5	Very high	155 Å²	155	65 Å²	65	72%	0.724	38%	0.381	S	S	*	.			trans	-65.6	140.6	-179.5	-158.6	172.1	-157	0	0	110.8	S60 S83	S60-E62 VanDerWaalsContact OG-CB 3.25Å; S60-E62 WeakPolarHBondContact OG-CB 3.45Å; S60-E62 PolarHBondContact OG-N 2.95Å; S60-E62 VanDerWaalsContact OG-N 3.1Å; E62-S83 WeakPolarHBondContact O-CA 3.4Å; E62-S83 WeakPolarHBondContact O-CB 3.28Å
63	R	95.3	Very high	93.2	Very high	100 Å²	100	64.6 Å²	64.6	38%	0.377	38%	0.377	S	S	.	.			trans	-122.9	145.8	-176.1	-62.8	-177.4	68.5	-175	1.2	109.7	I80 Y81 M86	R63-I80 HydrophobicContact CB-CG2 3.6Å; R63-I80 HydrophobicContact CG-CG2 4.46Å; R63-I80 PolarHBondContact NH2-O 2.5Å; R63-Y81 PolarHBondContact NE-O 2.82Å; R63-Y81 PolarHBondContact NH2-O 2.86Å; R63-M86 HydrophobicContact CG-SD 4.45Å
64	E	95.9	Very high	92.5	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-102	137.8	-179.3	-169	178.6	173	0	0	111.1	I80 Y81 N116	E64-I80 WeakPolarHBondContact O-CA 3.19Å; E64-I80 WeakPolarHBondContact O-CG2 3.08Å; E64-Y81 HydrophobicContact CB-CD2 4.5Å; E64-Y81 PolarHBondContact O-N 2.88Å; E64-N116 PolarHBondContact OE2-ND2 2.79Å
65	L	96.8	Very high	92.2	Very high	112 Å²	112	65.8 Å²	65.8	59%	0.586	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.1	173.6	-172.1	69.9	0	0	0	109.3	K78 I80	L65-K78 HydrophobicContact CD1-CB 3.91Å; L65-K78 HydrophobicContact CG-CB 4.25Å; L65-I80 HydrophobicContact CD1-CG1 3.85Å
66	S	97.1	Very high	91.9	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.028	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	170.1	175.5	73.4	0	0	0	0	112.1	I68 K78 W79 Y81 E120	S66-I68 VanDerWaalsContact C-N 3.28Å; S66-I68 PolarHBondContact OG-N 3.35Å; S66-I68 VanDerWaalsContact OG-N 3.16Å; S66-I68 PolarHBondContact OG-O 3.35Å; S66-K78 WeakPolarHBondContact O-CB 3.36Å; S66-K78 WeakPolarHBondContact O-CD 3.45Å; S66-W79 VanDerWaalsContact CB-O 3.25Å; S66-W79 WeakPolarHBondContact CB-O 3.37Å; S66-W79 PolarHBondContact N-O 2.55Å; S66-W79 VanDerWaalsContact OG-C 3.32Å; S66-W79 WeakPolarHBondContact OG-CA 2.92Å; S66-W79 WeakPolarHBondContact OG-CB 3.25Å; S66-W79 PolarHBondContact OG-N 3.25Å; S66-W79 PolarHBondContact OG-O 3.48Å; S66-Y81 VanDerWaalsContact CB-CE2 3.41Å; S66-E120 VanDerWaalsContact CA-OE1 3.28Å; S66-E120 WeakPolarHBondContact CA-OE1 3.39Å; S66-E120 VanDerWaalsContact CB-OE1 3.27Å; S66-E120 WeakPolarHBondContact CB-OE1 3.43Å
67	S	96.2	Very high	92.2	Very high	55 Å²	55	67.1 Å²	67.1	39%	0.385	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-9.7	166.7	87.3	0	0	0	0	113.3	P69 E120	S67-P69 WeakPolarHBondContact O-CD 3.18Å; S67-E120 WeakPolarHBondContact CB-OE2 3.22Å; S67-E120 PolarHBondContact N-OE1 3.3Å; S67-E120 PolarHBondContact OG-OE2 3.49Å
68	I	97.6	Very high	92.4	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.015	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.7	-166.5	-47.2	179	0	0	0	110.6	S66 K78 W79 W123 L142 W173	S66-I68 VanDerWaalsContact C-N 3.28Å; S66-I68 PolarHBondContact OG-N 3.35Å; S66-I68 VanDerWaalsContact OG-N 3.16Å; S66-I68 PolarHBondContact OG-O 3.35Å; I68-K78 CarbonylContact O-C 3.55Å; I68-K78 WeakPolarHBondContact O-CA 3.22Å; I68-K78 VanDerWaalsContact O-CB 3.3Å; I68-K78 WeakPolarHBondContact O-CB 3.5Å; I68-W79 PolarHBondContact O-N 3.11Å; I68-W123 HydrophobicContact CB-CD2 4.48Å; I68-W123 HydrophobicContact CB-CG 4.4Å; I68-W123 HydrophobicContact CD1-CB 3.83Å; I68-W123 HydrophobicContact CD1-CG 4.16Å; I68-W123 HydrophobicContact CG1-CB 3.85Å; I68-W123 HydrophobicContact CG1-CD2 4.24Å; I68-W123 HydrophobicContact CG1-CG 3.69Å; I68-W123 HydrophobicContact CG2-CD2 3.84Å; I68-W123 HydrophobicContact CG2-CE3 4.04Å; I68-W123 HydrophobicContact CG2-CG 4.22Å; I68-W123 HydrophobicContact CG2-CZ2 4.37Å; I68-W123 HydrophobicContact CG2-CZ3 4.4Å; I68-L142 HydrophobicContact CG2-CB 3.56Å; I68-L142 HydrophobicContact CG2-CD2 3.85Å; I68-L142 HydrophobicContact CG2-CG 4.36Å; I68-W173 HydrophobicContact CD1-CH2 3.83Å; I68-W173 HydrophobicContact CD1-CZ3 4.17Å
69	P	97.2	Very high	92.6	Very high	28 Å²	28	65 Å²	65	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.8	179.1	29.2	-31.7	0	0	0	112.3	S67 W123 K141 L142	S67-P69 WeakPolarHBondContact O-CD 3.18Å; P69-W123 HydrophobicContact CG-CZ2 4.08Å; P69-K141 HydrophobicContact CB-CG 4.11Å; P69-K141 HydrophobicContact CG-CB 4.34Å; P69-K141 HydrophobicContact CG-CG 4.07Å; P69-L142 PolarHBondContact O-N 2.91Å
70	K	96	Very high	92.6	Very high	49 Å²	49	67.8 Å²	67.8	21%	0.213	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-81.9	134.5	172.9	-68.5	-173.7	170.3	-165.2	0	111.1	E77 W79 K141	K70-E77 WeakPolarHBondContact CB-O 3.39Å; K70-E77 PolarHBondContact N-O 2.9Å; K70-W79 HydrophobicContact CD-CD2 4.4Å; K70-W79 HydrophobicContact CG-CD2 3.84Å; K70-W79 HydrophobicContact CG-CE3 4.48Å; K70-W79 HydrophobicContact CG-CG 3.96Å; K70-W79 HydrophobicContact CG-CZ2 4.17Å; K70-K141 WeakPolarHBondContact O-CD 3.23Å
71	A	93.8	Very high	92.6	Very high	12 Å²	12	66.1 Å²	66.1	10%	0.099	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-50.9	178.5	0	0	0	0	0	112.6	S73 K141 L142 R143 D176	A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.45Å; A71-K141 HydrophobicContact CB-CB 3.99Å; A71-L142 PolarHBondContact N-O 2.77Å; A71-R143 HydrophobicContact CB-CB 3.65Å; A71-R143 HydrophobicContact CB-CG 4.06Å; A71-D176 HydrophobicContact CB-CB 3.64Å
72	D	86.1	Confident	92.5	Very high	94 Å²	94	63.6 Å²	63.6	50%	0.503	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	8.4	-170.3	-61.4	-46.9	0	0	0	113.9	R143	D72-R143 IonicContact OD1-CZ 3.53Å; D72-R143 VanDerWaalsContact OD1-CZ 3.25Å; D72-R143 IonicContact OD1-NH1 3.83Å; D72-R143 PolarHBondContact OD1-NH1 3.44Å; D72-R143 IonicContact OD1-NH2 2.75Å; D72-R143 PolarHBondContact OD1-NH2 2.95Å; D72-R143 IonicContact OD2-NH1 3.16Å; D72-R143 PolarHBondContact OD2-NH1 3.24Å
73	S	84.2	Confident	92.5	Very high	14 Å²	14	56.2 Å²	56.2	10%	0.098	31%	0.305	C	S	.	.			trans	-90.5	127.6	174.7	-175.9	0	0	0	0	111.6	A71 N75 E77	A71-S73 VanDerWaalsContact C-N 3.27Å; A71-S73 PolarHBondContact O-N 3.45Å; S73-N75 VanDerWaalsContact C-N 3.29Å; S73-N75 PolarHBondContact O-N 3.24Å; S73-E77 WeakPolarHBondContact OG-CB 3.49Å; S73-E77 WeakPolarHBondContact OG-CG 3.49Å; S73-E77 PolarHBondContact OG-OE2 2.89Å
74	S	75	Confident	92.5	Very high	112 Å²	112	51.9 Å²	51.9	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.4	177.9	53	0	0	0	0	113.1
75	N	80.9	Confident	92.4	Very high	130 Å²	130	47 Å²	47	70%	0.695	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	17	-168.5	-64.3	-15.4	0	0	0	113.6	S73 E77	S73-N75 VanDerWaalsContact C-N 3.29Å; S73-N75 PolarHBondContact O-N 3.24Å; N75-E77 HydrophobicContact CB-CG 4.36Å; N75-E77 PolarHBondContact O-N 3.43Å
76	G	86	Confident	92.3	Very high	42 Å²	42	42.8 Å²	42.8	43%	0.433	25%	0.245	S	C	.	.			trans	64.8	28.1	-177.3	0	0	0	0	0	113
77	E	94	Very high	92.1	Very high	100 Å²	100	43.8 Å²	43.8	47%	0.467	25%	0.249	S	C	.	.			trans	-60.9	152.5	178.5	-63.6	168.5	168.5	0	0	111.1	K70 S73 N75	K70-E77 WeakPolarHBondContact CB-O 3.39Å; K70-E77 PolarHBondContact N-O 2.9Å; S73-E77 WeakPolarHBondContact OG-CB 3.49Å; S73-E77 WeakPolarHBondContact OG-CG 3.49Å; S73-E77 PolarHBondContact OG-OE2 2.89Å; N75-E77 HydrophobicContact CB-CG 4.36Å; N75-E77 PolarHBondContact O-N 3.43Å
78	K	96.1	Very high	91.9	Very high	90 Å²	90	41.5 Å²	41.5	39%	0.391	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	161.1	178.3	-59.7	-175.7	-177.6	179.5	0	111	L65 S66 I68	L65-K78 HydrophobicContact CD1-CB 3.91Å; L65-K78 HydrophobicContact CG-CB 4.25Å; S66-K78 WeakPolarHBondContact O-CB 3.36Å; S66-K78 WeakPolarHBondContact O-CD 3.45Å; I68-K78 CarbonylContact O-C 3.55Å; I68-K78 WeakPolarHBondContact O-CA 3.22Å; I68-K78 VanDerWaalsContact O-CB 3.3Å; I68-K78 WeakPolarHBondContact O-CB 3.5Å
79	W	95.7	Very high	91.7	Very high	15 Å²	15	41.8 Å²	41.8	6%	0.057	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	147.1	171.4	-69.2	94.5	0	0	0	110.3	E41 S66 I68 K70 L142 F145	E41-W79 HydrophobicContact CB-CH2 3.74Å; E41-W79 WeakPolarHBondContact OE2-CH2 2.97Å; S66-W79 VanDerWaalsContact CB-O 3.25Å; S66-W79 WeakPolarHBondContact CB-O 3.37Å; S66-W79 PolarHBondContact N-O 2.55Å; S66-W79 VanDerWaalsContact OG-C 3.32Å; S66-W79 WeakPolarHBondContact OG-CA 2.92Å; S66-W79 WeakPolarHBondContact OG-CB 3.25Å; S66-W79 PolarHBondContact OG-N 3.25Å; S66-W79 PolarHBondContact OG-O 3.48Å; I68-W79 PolarHBondContact O-N 3.11Å; K70-W79 HydrophobicContact CD-CD2 4.4Å; K70-W79 HydrophobicContact CG-CD2 3.84Å; K70-W79 HydrophobicContact CG-CE3 4.48Å; K70-W79 HydrophobicContact CG-CG 3.96Å; K70-W79 HydrophobicContact CG-CZ2 4.17Å; W79-L142 HydrophobicContact CG-CD2 4.48Å; W79-L142 HydrophobicContact CZ2-CG 4.5Å; W79-L142 PolarHBondContact NE1-O 2.85Å; W79-F145 HydrophobicContact CD2-CE1 4.02Å; W79-F145 AromaticContact CE3-CE1 3.67Å; W79-F145 HydrophobicContact CE3-CE1 3.67Å; W79-F145 HydrophobicContact CE3-CZ 4.44Å; W79-F145 HydrophobicContact CH2-CD1 4.33Å; W79-F145 AromaticContact CH2-CE1 3.88Å; W79-F145 HydrophobicContact CH2-CE1 3.88Å; W79-F145 HydrophobicContact CZ2-CD1 4.35Å; W79-F145 HydrophobicContact CZ2-CE1 4.21Å; W79-F145 HydrophobicContact CZ3-CD1 4.48Å; W79-F145 AromaticContact CZ3-CE1 3.61Å; W79-F145 HydrophobicContact CZ3-CE1 3.61Å; W79-F145 HydrophobicContact CZ3-CZ 4.43Å
80	I	94.9	Very high	91.3	Very high	76 Å²	76	41.4 Å²	41.4	39%	0.39	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123	178.3	-56.4	174.9	0	0	0	107	R63 E64 L65	R63-I80 HydrophobicContact CB-CG2 3.6Å; R63-I80 HydrophobicContact CG-CG2 4.46Å; R63-I80 PolarHBondContact NH2-O 2.5Å; E64-I80 WeakPolarHBondContact O-CA 3.19Å; E64-I80 WeakPolarHBondContact O-CG2 3.08Å; L65-I80 HydrophobicContact CD1-CG1 3.85Å
81	Y	95.6	Very high	90.9	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.059	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.4	154.1	179.5	-68.5	-53.2	0	0	0	111.8	R63 E64 S66 N116 N119 E120	R63-Y81 PolarHBondContact NE-O 2.82Å; R63-Y81 PolarHBondContact NH2-O 2.86Å; E64-Y81 HydrophobicContact CB-CD2 4.5Å; E64-Y81 PolarHBondContact O-N 2.88Å; S66-Y81 VanDerWaalsContact CB-CE2 3.41Å; Y81-N116 VanDerWaalsContact CB-OD1 3.3Å; Y81-N116 WeakPolarHBondContact CB-OD1 3.48Å; Y81-N116 HydrophobicContact CD2-CB 3.77Å; Y81-N116 HydrophobicContact CE2-CB 3.87Å; Y81-N116 HydrophobicContact CG-CB 4.29Å; Y81-N119 HydrophobicContact CE1-CB 3.69Å; Y81-N119 VanDerWaalsContact CE1-ND2 3.28Å; Y81-N119 WeakPolarHBondContact CE1-ND2 2.93Å; Y81-N119 VanDerWaalsContact OH-CB 3.23Å; Y81-N119 WeakPolarHBondContact OH-CB 3.22Å; Y81-E120 HydrophobicContact CE2-CG 4.38Å; Y81-E120 PolarHBondContact OH-OE1 2.87Å
82	P	93.5	Very high	90.7	Very high	26 Å²	26	40.9 Å²	40.9	17%	0.169	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-65.9	147.5	174.3	29.1	-34.7	0	0	0	110.5	M86	P82-M86 HydrophobicContact CB-CB 3.94Å; P82-M86 HydrophobicContact CB-CE 4.14Å
83	S	94.7	Very high	90.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-71.6	163.7	168.9	65.4	0	0	0	0	111	Q49 T61 E62 Q85 M86 F87	Q49-S83 PolarHBondContact NE2-OG 3.44Å; Q49-S83 PolarHBondContact OE1-OG 2.76Å; T61-S83 VanDerWaalsContact C-CB 3.43Å; T61-S83 WeakPolarHBondContact O-CB 3.27Å; E62-S83 WeakPolarHBondContact O-CA 3.4Å; E62-S83 WeakPolarHBondContact O-CB 3.28Å; S83-Q85 PolarHBondContact O-N 2.85Å; S83-Q85 PolarHBondContact OG-N 2.84Å; S83-M86 PolarHBondContact O-N 3.28Å; S83-M86 VanDerWaalsContact O-N 3.13Å; S83-M86 WeakPolarHBondContact OG-CB 3.38Å; S83-M86 WeakPolarHBondContact OG-CG 3.39Å; S83-M86 PolarHBondContact OG-N 2.71Å; S83-F87 WeakPolarHBondContact O-CB 3.18Å; S83-F87 PolarHBondContact O-N 2.89Å
84	P	94.7	Very high	90.5	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-47.7	-45.1	167.3	-31.1	37.1	0	0	0	113.3	L59 S60 F87 W88 M108 I112	L59-P84 HydrophobicContact CB-CB 4.27Å; L59-P84 HydrophobicContact CD2-CB 4.16Å; S60-P84 WeakPolarHBondContact O-CD 3.25Å; P84-F87 PolarHBondContact O-N 2.98Å; P84-W88 WeakPolarHBondContact O-CB 3.3Å; P84-W88 PolarHBondContact O-N 3.14Å; P84-M108 HydrophobicContact CB-CG 3.88Å; P84-I112 HydrophobicContact CB-CG1 4.31Å; P84-I112 HydrophobicContact CG-CG1 4.03Å
85	Q	95.2	Very high	90.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-40.3	179.2	-175.3	59.9	76.5	0	0	113.1	Q49 L59 S60 T61 S83 F87 N89	Q49-Q85 VanDerWaalsContact O-CG 3.24Å; Q49-Q85 WeakPolarHBondContact O-CG 3.46Å; L59-Q85 HydrophobicContact CB-CB 3.98Å; S60-Q85 WeakPolarHBondContact O-CB 3.47Å; S60-Q85 PolarHBondContact O-N 3.24Å; T61-Q85 HydrophobicContact CG2-CB 4.2Å; T61-Q85 HydrophobicContact CG2-CG 4.34Å; S83-Q85 PolarHBondContact O-N 2.85Å; S83-Q85 PolarHBondContact OG-N 2.84Å; Q85-F87 VanDerWaalsContact C-N 3.35Å; Q85-N89 PolarHBondContact NE2-OD1 3.3Å; Q85-N89 VanDerWaalsContact O-CG 3.25Å; Q85-N89 PolarHBondContact O-N 3.33Å; Q85-N89 VanDerWaalsContact O-N 3.12Å; Q85-N89 PolarHBondContact O-ND2 3.42Å
86	M	94.5	Very high	91	Very high	22 Å²	22	37 Å²	37	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-41.3	174.9	-76.1	174.9	61.6	0	0	111.6	P47 Q49 R63 P82 S83 N89 A90	P47-M86 HydrophobicContact CB-CE 3.56Å; P47-M86 HydrophobicContact CB-SD 3.96Å; Q49-M86 VanDerWaalsContact CD-CG 3.47Å; Q49-M86 HydrophobicContact CG-CG 3.95Å; Q49-M86 HydrophobicContact CG-SD 4.29Å; Q49-M86 PolarHBondContact NE2-SD 2.95Å; R63-M86 HydrophobicContact CG-SD 4.45Å; P82-M86 HydrophobicContact CB-CB 3.94Å; P82-M86 HydrophobicContact CB-CE 4.14Å; S83-M86 PolarHBondContact O-N 3.28Å; S83-M86 VanDerWaalsContact O-N 3.13Å; S83-M86 WeakPolarHBondContact OG-CB 3.38Å; S83-M86 WeakPolarHBondContact OG-CG 3.39Å; S83-M86 PolarHBondContact OG-N 2.71Å; M86-N89 PolarHBondContact O-N 3.37Å; M86-A90 WeakPolarHBondContact O-CB 3.36Å; M86-A90 PolarHBondContact O-N 2.78Å
87	F	92.5	Very high	90.8	Very high	25 Å²	25	43 Å²	43	11%	0.11	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-43.7	179.1	-171	-85.7	0	0	0	111.4	S83 P84 Q85 N89 A90 M91 M108 I111 I112	S83-F87 WeakPolarHBondContact O-CB 3.18Å; S83-F87 PolarHBondContact O-N 2.89Å; P84-F87 PolarHBondContact O-N 2.98Å; Q85-F87 VanDerWaalsContact C-N 3.35Å; F87-N89 VanDerWaalsContact C-N 3.34Å; F87-N89 PolarHBondContact O-N 3.22Å; F87-A90 CarbonylContact O-C 3.57Å; F87-A90 WeakPolarHBondContact O-CA 3.4Å; F87-A90 WeakPolarHBondContact O-CB 3.42Å; F87-A90 PolarHBondContact O-N 2.71Å; F87-A90 VanDerWaalsContact O-N 3.09Å; F87-M91 HydrophobicContact CD1-CG 3.75Å; F87-M91 HydrophobicContact CE1-CG 3.51Å; F87-M91 HydrophobicContact CE1-SD 4.05Å; F87-M91 HydrophobicContact CZ-CG 4.21Å; F87-M91 HydrophobicContact CZ-SD 4.25Å; F87-M91 WeakPolarHBondContact O-CG 2.95Å; F87-M91 PolarHBondContact O-N 3.2Å; F87-M108 HydrophobicContact CD1-CE 4.48Å; F87-M108 HydrophobicContact CD1-SD 3.7Å; F87-M108 HydrophobicContact CE1-SD 4.35Å; F87-I111 HydrophobicContact CE1-CG2 3.72Å; F87-I111 HydrophobicContact CZ-CG2 3.74Å; F87-I112 HydrophobicContact CB-CD1 3.34Å; F87-I112 HydrophobicContact CD1-CD1 4.09Å; F87-I112 HydrophobicContact CD2-CD1 3.54Å; F87-I112 HydrophobicContact CE2-CD1 4.33Å; F87-I112 HydrophobicContact CG-CD1 3.4Å
88	W	91.8	Very high	89.8	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-53	-51.6	172	178.7	-84.7	0	0	0	111.8	Q55 P56 F57 L59 P84 A90 M91 L92 W98 I103 M108	Q55-W88 HydrophobicContact CB-CZ2 4.49Å; Q55-W88 HydrophobicContact CG-CZ2 3.98Å; P56-W88 HydrophobicContact CG-CH2 4.25Å; F57-W88 HydrophobicContact CE2-CZ3 4.37Å; F57-W88 HydrophobicContact CZ-CH2 4.46Å; F57-W88 HydrophobicContact CZ-CZ3 4.04Å; L59-W88 HydrophobicContact CD1-CB 3.45Å; L59-W88 VanDerWaalsContact CD1-CB 3.45Å; L59-W88 HydrophobicContact CD1-CD2 3.74Å; L59-W88 HydrophobicContact CD1-CE3 3.68Å; L59-W88 HydrophobicContact CD1-CG 3.66Å; P84-W88 WeakPolarHBondContact O-CB 3.3Å; P84-W88 PolarHBondContact O-N 3.14Å; W88-A90 VanDerWaalsContact C-N 3.28Å; W88-A90 PolarHBondContact O-N 2.95Å; W88-M91 PolarHBondContact O-N 3.21Å; W88-L92 PolarHBondContact O-N 3.21Å; W88-W98 AromaticContact CD2-CD1 3.84Å; W88-W98 AromaticContact CD2-CE2 3.98Å; W88-W98 AromaticContact CD2-NE1 3.37Å; W88-W98 AromaticContact CE2-CD1 3.5Å; W88-W98 AromaticContact CE2-NE1 3.5Å; W88-W98 AromaticContact CE3-CD1 3.86Å; W88-W98 HydrophobicContact CE3-CD2 4.04Å; W88-W98 AromaticContact CE3-CE2 3.56Å; W88-W98 HydrophobicContact CE3-CG 4.22Å; W88-W98 HydrophobicContact CE3-CZ2 4.01Å; W88-W98 AromaticContact CE3-NE1 3.41Å; W88-W98 HydrophobicContact CH2-CB 3.72Å; W88-W98 AromaticContact CH2-CD1 3.23Å; W88-W98 AromaticContact CH2-CD2 3.93Å; W88-W98 HydrophobicContact CH2-CD2 3.93Å; W88-W98 AromaticContact CH2-CG 3.34Å; W88-W98 HydrophobicContact CH2-CG 3.34Å; W88-W98 AromaticContact CH2-NE1 3.73Å; W88-W98 HydrophobicContact CZ2-CB 4.29Å; W88-W98 AromaticContact CZ2-CD1 3.19Å; W88-W98 AromaticContact CZ2-CG 3.81Å; W88-W98 HydrophobicContact CZ2-CG 3.81Å; W88-W98 AromaticContact CZ2-NE1 3.69Å; W88-W98 HydrophobicContact CZ3-CB 4.29Å; W88-W98 AromaticContact CZ3-CD1 3.57Å; W88-W98 AromaticContact CZ3-CD2 3.62Å; W88-W98 HydrophobicContact CZ3-CD2 3.62Å; W88-W98 AromaticContact CZ3-CE2 3.66Å; W88-W98 HydrophobicContact CZ3-CE3 4.33Å; W88-W98 AromaticContact CZ3-CG 3.59Å; W88-W98 HydrophobicContact CZ3-CG 3.59Å; W88-W98 HydrophobicContact CZ3-CZ2 4.4Å; W88-W98 AromaticContact CZ3-NE1 3.6Å; W88-I103 HydrophobicContact CH2-CG2 4.23Å; W88-I103 HydrophobicContact CZ3-CG2 3.89Å; W88-M108 HydrophobicContact CE3-CE 3.65Å; W88-M108 HydrophobicContact CZ3-CE 4.25Å
89	N	92.5	Very high	88.5	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.053	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-35.4	178.1	-69.1	-18.2	0	0	0	112	N48 L50 S52 Q85 M86 F87 R93	N48-N89 PolarHBondContact O-ND2 3.25Å; L50-N89 PolarHBondContact O-ND2 3.18Å; S52-N89 PolarHBondContact OG-OD1 2.85Å; Q85-N89 PolarHBondContact NE2-OD1 3.3Å; Q85-N89 VanDerWaalsContact O-CG 3.25Å; Q85-N89 PolarHBondContact O-N 3.33Å; Q85-N89 VanDerWaalsContact O-N 3.12Å; Q85-N89 PolarHBondContact O-ND2 3.42Å; M86-N89 PolarHBondContact O-N 3.37Å; F87-N89 VanDerWaalsContact C-N 3.34Å; F87-N89 PolarHBondContact O-N 3.22Å; N89-R93 WeakPolarHBondContact O-CB 3.42Å; N89-R93 PolarHBondContact O-N 2.85Å
90	A	89.7	Confident	86.8	Confident	20 Å²	20	51 Å²	51	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-40.7	175.6	0	0	0	0	0	112.8	M86 F87 W88 R93 K94	M86-A90 WeakPolarHBondContact O-CB 3.36Å; M86-A90 PolarHBondContact O-N 2.78Å; F87-A90 CarbonylContact O-C 3.57Å; F87-A90 WeakPolarHBondContact O-CA 3.4Å; F87-A90 WeakPolarHBondContact O-CB 3.42Å; F87-A90 PolarHBondContact O-N 2.71Å; F87-A90 VanDerWaalsContact O-N 3.09Å; W88-A90 VanDerWaalsContact C-N 3.28Å; W88-A90 PolarHBondContact O-N 2.95Å; A90-R93 PolarHBondContact O-N 3.15Å; A90-K94 WeakPolarHBondContact O-CG 3.23Å; A90-K94 PolarHBondContact O-N 2.85Å; A90-K94 VanDerWaalsContact O-N 3.13Å
91	M	87.7	Confident	85.2	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-47.1	176.9	-73.8	-65.7	-73.2	0	0	111.3	C21 F87 W88 R93 K94 G95 W96 W98	C21-M91 HydrophobicContact CB-CE 4.49Å; F87-M91 HydrophobicContact CD1-CG 3.75Å; F87-M91 HydrophobicContact CE1-CG 3.51Å; F87-M91 HydrophobicContact CE1-SD 4.05Å; F87-M91 HydrophobicContact CZ-CG 4.21Å; F87-M91 HydrophobicContact CZ-SD 4.25Å; F87-M91 WeakPolarHBondContact O-CG 2.95Å; F87-M91 PolarHBondContact O-N 3.2Å; W88-M91 PolarHBondContact O-N 3.21Å; M91-R93 VanDerWaalsContact C-N 3.29Å; M91-R93 PolarHBondContact O-N 3.38Å; M91-K94 CarbonylContact O-C 3.6Å; M91-K94 WeakPolarHBondContact O-CA 3.47Å; M91-K94 WeakPolarHBondContact O-CB 3.32Å; M91-K94 PolarHBondContact O-N 3.08Å; M91-G95 PolarHBondContact O-N 2.63Å; M91-W96 HydrophobicContact CB-CB 3.99Å; M91-W96 HydrophobicContact CB-CG 4.34Å; M91-W96 HydrophobicContact CE-CB 4.08Å; M91-W96 HydrophobicContact CE-CD2 3.6Å; M91-W96 HydrophobicContact CE-CE3 3.89Å; M91-W96 HydrophobicContact CE-CG 3.71Å; M91-W96 WeakPolarHBondContact O-CB 3.33Å; M91-W96 PolarHBondContact O-N 3Å; M91-W96 VanDerWaalsContact O-N 3.07Å; M91-W98 HydrophobicContact CB-CH2 4.43Å; M91-W98 HydrophobicContact CB-CZ2 3.64Å; M91-W98 HydrophobicContact CE-CH2 4.19Å; M91-W98 HydrophobicContact CE-CZ2 4.45Å; M91-W98 HydrophobicContact CG-CH2 4.3Å; M91-W98 HydrophobicContact CG-CZ2 3.9Å
92	L	88.9	Confident	84	Confident	44 Å²	44	57.2 Å²	57.2	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-42.8	176.1	-73.1	-177.2	0	0	0	112.4	S52 W88 K94 G95 W96 R97	S52-L92 VanDerWaalsContact CB-CD1 3.49Å; S52-L92 WeakPolarHBondContact OG-CD1 3.48Å; W88-L92 PolarHBondContact O-N 3.21Å; L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 2.73Å; L92-G95 PolarHBondContact O-N 3.11Å; L92-W96 WeakPolarHBondContact CD2-O 3.4Å; L92-R97 PolarHBondContact O-NH1 3Å
93	R	85.9	Confident	83.3	Confident	91 Å²	91	56.7 Å²	56.7	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-31.8	175.9	-177	176.8	62.7	-101.4	1.7	112.6	N89 A90 M91 G95	N89-R93 WeakPolarHBondContact O-CB 3.42Å; N89-R93 PolarHBondContact O-N 2.85Å; A90-R93 PolarHBondContact O-N 3.15Å; M91-R93 VanDerWaalsContact C-N 3.29Å; M91-R93 PolarHBondContact O-N 3.38Å; R93-G95 PolarHBondContact O-N 2.9Å
94	K	80.6	Confident	82.8	Confident	99 Å²	99	62.9 Å²	62.9	43%	0.43	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	5	174.8	-69.1	175.3	179.8	-175.4	0	113.3	P22 A90 M91 L92	P22-K94 HydrophobicContact CG-CB 4.48Å; P22-K94 WeakPolarHBondContact O-CD 3.44Å; A90-K94 WeakPolarHBondContact O-CG 3.23Å; A90-K94 PolarHBondContact O-N 2.85Å; A90-K94 VanDerWaalsContact O-N 3.13Å; M91-K94 CarbonylContact O-C 3.6Å; M91-K94 WeakPolarHBondContact O-CA 3.47Å; M91-K94 WeakPolarHBondContact O-CB 3.32Å; M91-K94 PolarHBondContact O-N 3.08Å; L92-K94 VanDerWaalsContact C-N 3.26Å; L92-K94 PolarHBondContact O-N 2.73Å
95	G	83.7	Confident	82.2	Confident	44 Å²	44	64.3 Å²	64.3	45%	0.454	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	3.4	178.9	0	0	0	0	0	113.9	M91 L92 R93 R97	M91-G95 PolarHBondContact O-N 2.63Å; L92-G95 PolarHBondContact O-N 3.11Å; R93-G95 PolarHBondContact O-N 2.9Å; G95-R97 PolarHBondContact O-NH1 3.39Å
96	W	83.2	Confident	81.7	Confident	34 Å²	34	69.1 Å²	69.1	13%	0.129	33%	0.33	C	S	.	.			trans	-62.9	142	175.1	-167.2	-98.6	0	0	0	111	I17 E20 P22 M91 L92 W98	I17-W96 HydrophobicContact CG1-CZ2 4.42Å; I17-W96 HydrophobicContact CG2-CZ2 4.39Å; E20-W96 HydrophobicContact CB-CH2 3.4Å; E20-W96 HydrophobicContact CB-CZ3 3.52Å; E20-W96 HydrophobicContact CG-CH2 4.39Å; E20-W96 VanDerWaalsContact O-CZ3 3.3Å; E20-W96 WeakPolarHBondContact O-CZ3 3.34Å; E20-W96 WeakPolarHBondContact OE2-CH2 3.4Å; P22-W96 HydrophobicContact CG-CE3 3.83Å; P22-W96 HydrophobicContact CG-CZ3 4.42Å; M91-W96 HydrophobicContact CB-CB 3.99Å; M91-W96 HydrophobicContact CB-CG 4.34Å; M91-W96 HydrophobicContact CE-CB 4.08Å; M91-W96 HydrophobicContact CE-CD2 3.6Å; M91-W96 HydrophobicContact CE-CE3 3.89Å; M91-W96 HydrophobicContact CE-CG 3.71Å; M91-W96 WeakPolarHBondContact O-CB 3.33Å; M91-W96 PolarHBondContact O-N 3Å; M91-W96 VanDerWaalsContact O-N 3.07Å; L92-W96 WeakPolarHBondContact CD2-O 3.4Å; W96-W98 AromaticContact CD1-CD2 3.29Å; W96-W98 AromaticContact CD1-CE2 3.31Å; W96-W98 AromaticContact CD1-CE3 3.59Å; W96-W98 AromaticContact CD1-CG 3.78Å; W96-W98 AromaticContact CD1-CH2 3.87Å; W96-W98 AromaticContact CD1-CZ2 3.65Å; W96-W98 AromaticContact CD1-CZ3 3.82Å; W96-W98 AromaticContact CD1-NE1 3.77Å; W96-W98 AromaticContact CE2-CZ3 3.94Å; W96-W98 HydrophobicContact CZ2-CZ3 4.39Å; W96-W98 AromaticContact NE1-CD2 3.24Å; W96-W98 AromaticContact NE1-CE2 3.65Å; W96-W98 AromaticContact NE1-CE3 2.98Å; W96-W98 AromaticContact NE1-CG 3.96Å; W96-W98 AromaticContact NE1-CH2 3.59Å; W96-W98 AromaticContact NE1-CZ2 3.85Å; W96-W98 AromaticContact NE1-CZ3 3.13Å
97	R	81	Confident	81.3	Confident	169 Å²	169	68.1 Å²	68.1	64%	0.638	33%	0.325	S	S	*	.			trans	-129.4	104.5	175.1	-62.4	-64.3	177.3	-94.5	1.3	107.5	L92 G95 R99	L92-R97 PolarHBondContact O-NH1 3Å; G95-R97 PolarHBondContact O-NH1 3.39Å; R97-R99 PolarHBondContact O-N 3.42Å
98	W	74.6	Confident	81.1	Confident	32 Å²	32	67 Å²	67	12%	0.121	32%	0.32	C	S	.	.			trans	-63.5	120.1	171.9	-51	104.1	0	0	0	107.4	I17 W88 M91 W96 I103 M108	I17-W98 HydrophobicContact CD1-CZ3 4.48Å; I17-W98 HydrophobicContact CG2-CH2 4.15Å; I17-W98 HydrophobicContact CG2-CZ3 3.95Å; W88-W98 AromaticContact CD2-CD1 3.84Å; W88-W98 AromaticContact CD2-CE2 3.98Å; W88-W98 AromaticContact CD2-NE1 3.37Å; W88-W98 AromaticContact CE2-CD1 3.5Å; W88-W98 AromaticContact CE2-NE1 3.5Å; W88-W98 AromaticContact CE3-CD1 3.86Å; W88-W98 HydrophobicContact CE3-CD2 4.04Å; W88-W98 AromaticContact CE3-CE2 3.56Å; W88-W98 HydrophobicContact CE3-CG 4.22Å; W88-W98 HydrophobicContact CE3-CZ2 4.01Å; W88-W98 AromaticContact CE3-NE1 3.41Å; W88-W98 HydrophobicContact CH2-CB 3.72Å; W88-W98 AromaticContact CH2-CD1 3.23Å; W88-W98 AromaticContact CH2-CD2 3.93Å; W88-W98 HydrophobicContact CH2-CD2 3.93Å; W88-W98 AromaticContact CH2-CG 3.34Å; W88-W98 HydrophobicContact CH2-CG 3.34Å; W88-W98 AromaticContact CH2-NE1 3.73Å; W88-W98 HydrophobicContact CZ2-CB 4.29Å; W88-W98 AromaticContact CZ2-CD1 3.19Å; W88-W98 AromaticContact CZ2-CG 3.81Å; W88-W98 HydrophobicContact CZ2-CG 3.81Å; W88-W98 AromaticContact CZ2-NE1 3.69Å; W88-W98 HydrophobicContact CZ3-CB 4.29Å; W88-W98 AromaticContact CZ3-CD1 3.57Å; W88-W98 AromaticContact CZ3-CD2 3.62Å; W88-W98 HydrophobicContact CZ3-CD2 3.62Å; W88-W98 AromaticContact CZ3-CE2 3.66Å; W88-W98 HydrophobicContact CZ3-CE3 4.33Å; W88-W98 AromaticContact CZ3-CG 3.59Å; W88-W98 HydrophobicContact CZ3-CG 3.59Å; W88-W98 HydrophobicContact CZ3-CZ2 4.4Å; W88-W98 AromaticContact CZ3-NE1 3.6Å; M91-W98 HydrophobicContact CB-CH2 4.43Å; M91-W98 HydrophobicContact CB-CZ2 3.64Å; M91-W98 HydrophobicContact CE-CH2 4.19Å; M91-W98 HydrophobicContact CE-CZ2 4.45Å; M91-W98 HydrophobicContact CG-CH2 4.3Å; M91-W98 HydrophobicContact CG-CZ2 3.9Å; W96-W98 AromaticContact CD1-CD2 3.29Å; W96-W98 AromaticContact CD1-CE2 3.31Å; W96-W98 AromaticContact CD1-CE3 3.59Å; W96-W98 AromaticContact CD1-CG 3.78Å; W96-W98 AromaticContact CD1-CH2 3.87Å; W96-W98 AromaticContact CD1-CZ2 3.65Å; W96-W98 AromaticContact CD1-CZ3 3.82Å; W96-W98 AromaticContact CD1-NE1 3.77Å; W96-W98 AromaticContact CE2-CZ3 3.94Å; W96-W98 HydrophobicContact CZ2-CZ3 4.39Å; W96-W98 AromaticContact NE1-CD2 3.24Å; W96-W98 AromaticContact NE1-CE2 3.65Å; W96-W98 AromaticContact NE1-CE3 2.98Å; W96-W98 AromaticContact NE1-CG 3.96Å; W96-W98 AromaticContact NE1-CH2 3.59Å; W96-W98 AromaticContact NE1-CZ2 3.85Å; W96-W98 AromaticContact NE1-CZ3 3.13Å; W98-I103 HydrophobicContact CB-CG2 4.15Å; W98-I103 HydrophobicContact CD2-CD1 4.45Å; W98-I103 HydrophobicContact CD2-CG2 4.17Å; W98-I103 HydrophobicContact CE3-CB 4.08Å; W98-I103 HydrophobicContact CE3-CD1 3.53Å; W98-I103 HydrophobicContact CE3-CG1 4.39Å; W98-I103 HydrophobicContact CE3-CG2 3.73Å; W98-I103 HydrophobicContact CG-CG2 4.39Å; W98-I103 HydrophobicContact CH2-CD1 3.84Å; W98-I103 HydrophobicContact CZ3-CD1 3.2Å; W98-I103 HydrophobicContact CZ3-CG1 4.41Å; W98-M108 HydrophobicContact CH2-CE 3.44Å; W98-M108 VanDerWaalsContact CH2-CE 3.44Å; W98-M108 HydrophobicContact CZ2-CE 3.54Å; W98-M108 HydrophobicContact CZ3-CE 4.11Å
99	R	67.4	Low	80.9	Confident	181 Å²	181	70.1 Å²	70.1	68%	0.683	34%	0.338	S	S	*	.			trans	-81.2	152.6	172.1	-44	-174.9	-166.9	171.1	5.7	108.4	R97 D101 D102	R97-R99 PolarHBondContact O-N 3.42Å; R99-D101 PolarHBondContact O-N 3.47Å; R99-D101 VanDerWaalsContact O-N 3.1Å; R99-D102 HydrophobicContact CB-CB 4.2Å; R99-D102 VanDerWaalsContact CB-OD2 3.25Å; R99-D102 WeakPolarHBondContact CB-OD2 3.28Å; R99-D102 WeakPolarHBondContact CD-OD2 3.39Å; R99-D102 VanDerWaalsContact CG-OD2 3.25Å; R99-D102 WeakPolarHBondContact CG-OD2 3.23Å; R99-D102 IonicContact NE-OD2 3.78Å; R99-D102 PolarHBondContact O-N 3.26Å
100	D	60.3	Low	80.7	Confident	159 Å²	159	71.3 Å²	71.3	85%	0.85	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.9	-170	-63.3	-44.3	0	0	0	114
101	D	61.2	Low	80.6	Confident	155 Å²	155	70.3 Å²	70.3	83%	0.829	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-6.2	-180	-60.2	-37.2	0	0	0	113.9	R99	R99-D101 PolarHBondContact O-N 3.47Å; R99-D101 VanDerWaalsContact O-N 3.1Å
102	D	69.9	Low	80.7	Confident	67 Å²	67	70.7 Å²	70.7	36%	0.358	34%	0.338	S	S	.	.	S	Bend	trans	-103.2	-2.1	-158.7	-73.2	-12	0	0	0	115.3	Q13 R99	Q13-D102 VanDerWaalsContact NE2-CA 3.28Å; Q13-D102 PolarHBondContact NE2-O 3.33Å; R99-D102 HydrophobicContact CB-CB 4.2Å; R99-D102 VanDerWaalsContact CB-OD2 3.25Å; R99-D102 WeakPolarHBondContact CB-OD2 3.28Å; R99-D102 WeakPolarHBondContact CD-OD2 3.39Å; R99-D102 VanDerWaalsContact CG-OD2 3.25Å; R99-D102 WeakPolarHBondContact CG-OD2 3.23Å; R99-D102 IonicContact NE-OD2 3.78Å; R99-D102 PolarHBondContact O-N 3.26Å
103	I	79.2	Confident	80.7	Confident	15 Å²	15	72.3 Å²	72.3	8%	0.077	34%	0.344	C	S	.	.			trans	-154.3	133.2	177	-164.8	165.1	0	0	0	113.5	I17 F57 W88 W98 D107 M108 I111	I17-I103 HydrophobicContact CD1-CD1 4.04Å; I17-I103 HydrophobicContact CD1-CG1 4.38Å; F57-I103 HydrophobicContact CE1-CG2 4.41Å; F57-I103 WeakPolarHBondContact CE1-O 3.48Å; F57-I103 HydrophobicContact CZ-CG2 4.1Å; W88-I103 HydrophobicContact CH2-CG2 4.23Å; W88-I103 HydrophobicContact CZ3-CG2 3.89Å; W98-I103 HydrophobicContact CB-CG2 4.15Å; W98-I103 HydrophobicContact CD2-CD1 4.45Å; W98-I103 HydrophobicContact CD2-CG2 4.17Å; W98-I103 HydrophobicContact CE3-CB 4.08Å; W98-I103 HydrophobicContact CE3-CD1 3.53Å; W98-I103 HydrophobicContact CE3-CG1 4.39Å; W98-I103 HydrophobicContact CE3-CG2 3.73Å; W98-I103 HydrophobicContact CG-CG2 4.39Å; W98-I103 HydrophobicContact CH2-CD1 3.84Å; W98-I103 HydrophobicContact CZ3-CD1 3.2Å; W98-I103 HydrophobicContact CZ3-CG1 4.41Å; I103-D107 HydrophobicContact CD1-CB 4.45Å; I103-D107 HydrophobicContact CG1-CB 3.84Å; I103-M108 HydrophobicContact CD1-CB 4.49Å; I103-M108 HydrophobicContact CD1-CE 3.48Å; I103-M108 VanDerWaalsContact CD1-CE 3.48Å; I103-I111 HydrophobicContact CD1-CD1 4.22Å
104	K	83.8	Confident	80.8	Confident	130 Å²	130	68 Å²	68	57%	0.565	33%	0.328	S	S	*	.			trans	-101.9	160.8	172.2	-62	177.2	-175.2	172.4	0	110.8	E106 D107 M108	K104-E106 PolarHBondContact O-N 3.11Å; K104-D107 WeakPolarHBondContact CB-OD2 3.19Å; K104-D107 PolarHBondContact N-OD2 2.85Å; K104-D107 WeakPolarHBondContact O-CB 3.47Å; K104-D107 PolarHBondContact O-N 2.9Å; K104-D107 VanDerWaalsContact O-N 3.13Å; K104-M108 PolarHBondContact O-N 2.73Å
105	P	82.1	Confident	81.2	Confident	40 Å²	40	65.6 Å²	65.6	26%	0.26	32%	0.318	S	S	.	.	H	α-helix	trans	-52.3	-39.4	173.4	-23.1	30	0	0	0	113	F57 D107 M108 N109	F57-P105 HydrophobicContact CB-CG 4.06Å; F57-P105 HydrophobicContact CD1-CG 4.11Å; F57-P105 HydrophobicContact CD2-CB 4.07Å; F57-P105 HydrophobicContact CD2-CG 3.65Å; F57-P105 HydrophobicContact CE1-CG 4.5Å; F57-P105 HydrophobicContact CE2-CB 4.24Å; F57-P105 HydrophobicContact CE2-CG 4.06Å; F57-P105 HydrophobicContact CG-CG 3.68Å; F57-P105 HydrophobicContact CZ-CG 4.46Å; P105-D107 PolarHBondContact O-N 2.94Å; P105-M108 PolarHBondContact O-N 2.93Å; P105-N109 PolarHBondContact O-N 2.74Å; P105-N109 PolarHBondContact O-ND2 2.83Å
106	E	86.2	Confident	81.6	Confident	103 Å²	103	63.7 Å²	63.7	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-39.2	-179.7	-66.4	70	-152.6	0	0	112.1	K104 M108 N109 N110	K104-E106 PolarHBondContact O-N 3.11Å; E106-M108 VanDerWaalsContact C-N 3.29Å; E106-M108 PolarHBondContact O-N 3.48Å; E106-N109 PolarHBondContact O-N 3.02Å; E106-N110 VanDerWaalsContact O-CG 3.3Å; E106-N110 PolarHBondContact O-N 2.79Å; E106-N110 PolarHBondContact O-ND2 3.16Å
107	D	85.5	Confident	82	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-40	178.7	-55.2	-30	0	0	0	110.4	Q10 E14 I103 K104 P105 N110 I111	Q10-D107 WeakPolarHBondContact CG-OD1 3.08Å; Q10-D107 PolarHBondContact NE2-OD1 3.36Å; E14-D107 HydrophobicContact CG-CB 4.41Å; I103-D107 HydrophobicContact CD1-CB 4.45Å; I103-D107 HydrophobicContact CG1-CB 3.84Å; K104-D107 WeakPolarHBondContact CB-OD2 3.19Å; K104-D107 PolarHBondContact N-OD2 2.85Å; K104-D107 WeakPolarHBondContact O-CB 3.47Å; K104-D107 PolarHBondContact O-N 2.9Å; K104-D107 VanDerWaalsContact O-N 3.13Å; P105-D107 PolarHBondContact O-N 2.94Å; D107-N110 PolarHBondContact O-N 2.92Å; D107-I111 WeakPolarHBondContact O-CD1 3.04Å; D107-I111 WeakPolarHBondContact O-CG1 3.22Å; D107-I111 PolarHBondContact O-N 3.32Å
108	M	87.2	Confident	82.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-44	175.6	-173.5	58.8	56.8	0	0	111.6	L59 P84 F87 W88 W98 I103 K104 P105 E106 N110 I111 I112	L59-M108 HydrophobicContact CD1-CG 4.35Å; L59-M108 HydrophobicContact CD2-CB 3.89Å; L59-M108 HydrophobicContact CD2-CG 3.7Å; P84-M108 HydrophobicContact CB-CG 3.88Å; F87-M108 HydrophobicContact CD1-CE 4.48Å; F87-M108 HydrophobicContact CD1-SD 3.7Å; F87-M108 HydrophobicContact CE1-SD 4.35Å; W88-M108 HydrophobicContact CE3-CE 3.65Å; W88-M108 HydrophobicContact CZ3-CE 4.25Å; W98-M108 HydrophobicContact CH2-CE 3.44Å; W98-M108 VanDerWaalsContact CH2-CE 3.44Å; W98-M108 HydrophobicContact CZ2-CE 3.54Å; W98-M108 HydrophobicContact CZ3-CE 4.11Å; I103-M108 HydrophobicContact CD1-CB 4.49Å; I103-M108 HydrophobicContact CD1-CE 3.48Å; I103-M108 VanDerWaalsContact CD1-CE 3.48Å; K104-M108 PolarHBondContact O-N 2.73Å; P105-M108 PolarHBondContact O-N 2.93Å; E106-M108 VanDerWaalsContact C-N 3.29Å; E106-M108 PolarHBondContact O-N 3.48Å; M108-N110 VanDerWaalsContact C-N 3.3Å; M108-N110 PolarHBondContact O-N 2.67Å; M108-I111 PolarHBondContact O-N 3.45Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 3.23Å
109	N	89.2	Confident	83.4	Confident	73 Å²	73	55 Å²	55	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-41.2	176.8	-69.4	-32.4	0	0	0	111.5	P105 E106 I112 H113	P105-N109 PolarHBondContact O-N 2.74Å; P105-N109 PolarHBondContact O-ND2 2.83Å; E106-N109 PolarHBondContact O-N 3.02Å; N109-I112 PolarHBondContact O-N 2.76Å; N109-H113 WeakPolarHBondContact O-CB 3.5Å; N109-H113 PolarHBondContact O-N 2.67Å
110	N	87.4	Confident	84.7	Confident	35 Å²	35	48.7 Å²	48.7	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-45.1	176.9	-68.3	-22.8	0	0	0	111.4	E14 E106 D107 M108 I112 H113 I114	E14-N110 HydrophobicContact CG-CB 4.39Å; E14-N110 VanDerWaalsContact OE1-CB 3.28Å; E14-N110 WeakPolarHBondContact OE1-CB 3.42Å; E14-N110 PolarHBondContact OE1-ND2 2.87Å; E106-N110 VanDerWaalsContact O-CG 3.3Å; E106-N110 PolarHBondContact O-N 2.79Å; E106-N110 PolarHBondContact O-ND2 3.16Å; D107-N110 PolarHBondContact O-N 2.92Å; M108-N110 VanDerWaalsContact C-N 3.3Å; M108-N110 PolarHBondContact O-N 2.67Å; N110-I112 VanDerWaalsContact C-N 3.33Å; N110-I112 PolarHBondContact O-N 2.9Å; N110-H113 PolarHBondContact O-N 3.49Å; N110-I114 WeakPolarHBondContact O-CB 3.28Å; N110-I114 WeakPolarHBondContact O-CD1 3.37Å; N110-I114 WeakPolarHBondContact O-CG1 3.45Å; N110-I114 PolarHBondContact O-N 2.79Å
111	I	86.9	Confident	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-45.3	176	-70.9	158.6	0	0	0	111.5	I17 L18 F87 I103 D107 M108 H115	I17-I111 HydrophobicContact CB-CD1 3.95Å; I17-I111 HydrophobicContact CD1-CD1 3.87Å; I17-I111 HydrophobicContact CG2-CD1 3.47Å; I17-I111 VanDerWaalsContact CG2-CD1 3.47Å; I17-I111 HydrophobicContact CG2-CG1 4.38Å; L18-I111 HydrophobicContact CD2-CG2 4.01Å; L18-I111 HydrophobicContact CG-CG1 4.49Å; F87-I111 HydrophobicContact CE1-CG2 3.72Å; F87-I111 HydrophobicContact CZ-CG2 3.74Å; I103-I111 HydrophobicContact CD1-CD1 4.22Å; D107-I111 WeakPolarHBondContact O-CD1 3.04Å; D107-I111 WeakPolarHBondContact O-CG1 3.22Å; D107-I111 PolarHBondContact O-N 3.32Å; M108-I111 PolarHBondContact O-N 3.45Å; I111-H115 WeakPolarHBondContact O-CB 3.25Å; I111-H115 PolarHBondContact O-N 2.76Å
112	I	90.1	Very high	88	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.067	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-47.7	177.3	-65.2	-58.9	0	0	0	111.3	P84 F87 M108 N109 N110 I114 H115 N116	P84-I112 HydrophobicContact CB-CG1 4.31Å; P84-I112 HydrophobicContact CG-CG1 4.03Å; F87-I112 HydrophobicContact CB-CD1 3.34Å; F87-I112 HydrophobicContact CD1-CD1 4.09Å; F87-I112 HydrophobicContact CD2-CD1 3.54Å; F87-I112 HydrophobicContact CE2-CD1 4.33Å; F87-I112 HydrophobicContact CG-CD1 3.4Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 3.23Å; N109-I112 PolarHBondContact O-N 2.76Å; N110-I112 VanDerWaalsContact C-N 3.33Å; N110-I112 PolarHBondContact O-N 2.9Å; I112-I114 VanDerWaalsContact C-N 3.28Å; I112-I114 PolarHBondContact O-N 3.37Å; I112-H115 WeakPolarHBondContact O-CB 3.46Å; I112-H115 PolarHBondContact O-N 2.91Å; I112-H115 VanDerWaalsContact O-N 3.14Å; I112-N116 VanDerWaalsContact O-CG 3.26Å; I112-N116 PolarHBondContact O-N 3.03Å; I112-N116 PolarHBondContact O-OD1 3.32Å
113	H	90.2	Very high	89.3	Confident	78 Å²	78	32 Å²	32	36%	0.361	16%	0.158	S	C	.	.	H	α-helix	trans	-58.3	-46.8	-179.8	-176.1	61.2	0	0	0	111	N109 N110 H115 N116 V117 Y198	N109-H113 WeakPolarHBondContact O-CB 3.5Å; N109-H113 PolarHBondContact O-N 2.67Å; N110-H113 PolarHBondContact O-N 3.49Å; H113-H115 VanDerWaalsContact C-N 3.35Å; H113-H115 PolarHBondContact O-N 3.26Å; H113-N116 PolarHBondContact O-N 3.23Å; H113-V117 WeakPolarHBondContact O-CG2 3.47Å; H113-V117 PolarHBondContact O-N 2.99Å; H113-Y198 AromaticContact CD2-CD2 3.92Å; H113-Y198 AromaticContact CD2-CG 3.72Å; H113-Y198 AromaticContact NE2-CD2 3.97Å
114	I	87.1	Confident	90.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-44	176	-75.2	169.9	0	0	0	111.6	L18 N110 I112 N118 Y198 F200	L18-I114 HydrophobicContact CD1-CB 4.4Å; L18-I114 HydrophobicContact CD1-CD1 3.96Å; L18-I114 HydrophobicContact CD1-CG2 3.64Å; L18-I114 HydrophobicContact CD2-CG2 4.22Å; N110-I114 WeakPolarHBondContact O-CB 3.28Å; N110-I114 WeakPolarHBondContact O-CD1 3.37Å; N110-I114 WeakPolarHBondContact O-CG1 3.45Å; N110-I114 PolarHBondContact O-N 2.79Å; I112-I114 VanDerWaalsContact C-N 3.28Å; I112-I114 PolarHBondContact O-N 3.37Å; I114-N118 WeakPolarHBondContact O-CB 3.33Å; I114-N118 PolarHBondContact O-N 3.08Å; I114-Y198 HydrophobicContact CD1-CD1 4.39Å; I114-Y198 HydrophobicContact CG1-CD1 4.08Å; I114-F200 HydrophobicContact CB-CE1 4.39Å; I114-F200 HydrophobicContact CG2-CD1 3.14Å; I114-F200 HydrophobicContact CG2-CE1 2.89Å; I114-F200 HydrophobicContact CG2-CG 4.29Å; I114-F200 HydrophobicContact CG2-CZ 3.88Å
115	H	89	Confident	90.8	Very high	48 Å²	48	33.2 Å²	33.2	22%	0.222	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-45.7	176.3	177.8	79.6	0	0	0	112.1	I111 I112 H113 N118 N119	I111-H115 WeakPolarHBondContact O-CB 3.25Å; I111-H115 PolarHBondContact O-N 2.76Å; I112-H115 WeakPolarHBondContact O-CB 3.46Å; I112-H115 PolarHBondContact O-N 2.91Å; I112-H115 VanDerWaalsContact O-N 3.14Å; H113-H115 VanDerWaalsContact C-N 3.35Å; H113-H115 PolarHBondContact O-N 3.26Å; H115-N118 PolarHBondContact O-N 3.04Å; H115-N119 PolarHBondContact CD2-ND2 3.18Å; H115-N119 VanDerWaalsContact CD2-ND2 3.31Å; H115-N119 PolarHBondContact CE1-ND2 2.96Å; H115-N119 PolarHBondContact NE2-ND2 3.32Å; H115-N119 PolarHBondContact O-N 2.93Å; H115-N119 PolarHBondContact O-ND2 3.03Å
116	N	92.5	Very high	91.5	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-48.9	179	-65.5	-1.6	0	0	0	110.3	E64 Y81 I112 H113 N118 N119 E120	E64-N116 PolarHBondContact OE2-ND2 2.79Å; Y81-N116 VanDerWaalsContact CB-OD1 3.3Å; Y81-N116 WeakPolarHBondContact CB-OD1 3.48Å; Y81-N116 HydrophobicContact CD2-CB 3.77Å; Y81-N116 HydrophobicContact CE2-CB 3.87Å; Y81-N116 HydrophobicContact CG-CB 4.29Å; I112-N116 VanDerWaalsContact O-CG 3.26Å; I112-N116 PolarHBondContact O-N 3.03Å; I112-N116 PolarHBondContact O-OD1 3.32Å; H113-N116 PolarHBondContact O-N 3.23Å; N116-N118 VanDerWaalsContact C-N 3.32Å; N116-N118 PolarHBondContact O-N 3.09Å; N116-N119 PolarHBondContact O-N 3.06Å; N116-E120 WeakPolarHBondContact O-CG 3.28Å; N116-E120 PolarHBondContact O-N 3.36Å
117	V	91.4	Very high	92.1	Very high	28 Å²	28	29.7 Å²	29.7	17%	0.17	14%	0.141	C	C	.	.	H	α-helix	trans	-55.9	-47.1	175.8	170.1	0	0	0	0	111	H113 N119 E120 L121 Q199	H113-V117 WeakPolarHBondContact O-CG2 3.47Å; H113-V117 PolarHBondContact O-N 2.99Å; V117-N119 VanDerWaalsContact C-N 3.34Å; V117-N119 PolarHBondContact O-N 3.4Å; V117-E120 PolarHBondContact O-N 3.12Å; V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.24Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.96Å; V117-Q199 HydrophobicContact CG1-CG 4.11Å
118	N	90.7	Very high	92.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-42.7	178.5	-89.9	6	0	0	0	113.2	I114 H115 N116 L121 A122 Y188 F200 A201	I114-N118 WeakPolarHBondContact O-CB 3.33Å; I114-N118 PolarHBondContact O-N 3.08Å; H115-N118 PolarHBondContact O-N 3.04Å; N116-N118 VanDerWaalsContact C-N 3.32Å; N116-N118 PolarHBondContact O-N 3.09Å; N118-L121 PolarHBondContact O-N 2.76Å; N118-A122 WeakPolarHBondContact O-CB 3.34Å; N118-A122 PolarHBondContact O-N 2.73Å; N118-Y188 HydrophobicContact CB-CE1 4.04Å; N118-F200 WeakPolarHBondContact ND2-CE1 3.35Å; N118-F200 VanDerWaalsContact ND2-CZ 3.28Å; N118-F200 WeakPolarHBondContact ND2-CZ 3.14Å; N118-A201 WeakPolarHBondContact ND2-CB 3.47Å
119	N	94.1	Very high	93.1	Very high	16 Å²	16	35.9 Å²	35.9	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-40.8	177.2	-72.7	-33	0	0	0	111.7	Y81 H115 N116 V117 A122 W123	Y81-N119 HydrophobicContact CE1-CB 3.69Å; Y81-N119 VanDerWaalsContact CE1-ND2 3.28Å; Y81-N119 WeakPolarHBondContact CE1-ND2 2.93Å; Y81-N119 VanDerWaalsContact OH-CB 3.23Å; Y81-N119 WeakPolarHBondContact OH-CB 3.22Å; H115-N119 PolarHBondContact CD2-ND2 3.18Å; H115-N119 VanDerWaalsContact CD2-ND2 3.31Å; H115-N119 PolarHBondContact CE1-ND2 2.96Å; H115-N119 PolarHBondContact NE2-ND2 3.32Å; H115-N119 PolarHBondContact O-N 2.93Å; H115-N119 PolarHBondContact O-ND2 3.03Å; N116-N119 PolarHBondContact O-N 3.06Å; V117-N119 VanDerWaalsContact C-N 3.34Å; V117-N119 PolarHBondContact O-N 3.4Å; N119-A122 PolarHBondContact O-N 2.93Å; N119-W123 PolarHBondContact O-N 2.93Å
120	E	95.7	Very high	93.6	Very high	49 Å²	49	32.6 Å²	32.6	23%	0.229	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-40.3	176	-69.1	-61.3	160.7	0	0	112	S66 S67 Y81 N116 V117 W123 R124	S66-E120 VanDerWaalsContact CA-OE1 3.28Å; S66-E120 WeakPolarHBondContact CA-OE1 3.39Å; S66-E120 VanDerWaalsContact CB-OE1 3.27Å; S66-E120 WeakPolarHBondContact CB-OE1 3.43Å; S67-E120 WeakPolarHBondContact CB-OE2 3.22Å; S67-E120 PolarHBondContact N-OE1 3.3Å; S67-E120 PolarHBondContact OG-OE2 3.49Å; Y81-E120 HydrophobicContact CE2-CG 4.38Å; Y81-E120 PolarHBondContact OH-OE1 2.87Å; N116-E120 WeakPolarHBondContact O-CG 3.28Å; N116-E120 PolarHBondContact O-N 3.36Å; V117-E120 PolarHBondContact O-N 3.12Å; E120-W123 PolarHBondContact O-N 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.3Å; E120-R124 PolarHBondContact O-N 2.91Å
121	L	93.6	Very high	94	Very high	20 Å²	20	34 Å²	34	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-44.3	173.7	-67.6	174.2	0	0	0	111.3	V117 N118 W123 R124 E125 Q199 L203	V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.24Å; V117-L121 VanDerWaalsContact O-CG 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.96Å; N118-L121 PolarHBondContact O-N 2.76Å; L121-W123 VanDerWaalsContact C-N 3.33Å; L121-W123 PolarHBondContact O-N 3.31Å; L121-R124 PolarHBondContact O-N 3.45Å; L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 2.98Å; L121-Q199 HydrophobicContact CD1-CB 4.37Å; L121-Q199 HydrophobicContact CD1-CG 3.9Å; L121-L203 HydrophobicContact CB-CD1 3.43Å; L121-L203 VanDerWaalsContact CB-CD1 3.43Å
122	A	95.9	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-43.1	177.5	0	0	0	0	0	111.4	N118 N119 R124 E125 V126 W173 I186 L203 V205	N118-A122 WeakPolarHBondContact O-CB 3.34Å; N118-A122 PolarHBondContact O-N 2.73Å; N119-A122 PolarHBondContact O-N 2.93Å; A122-R124 PolarHBondContact O-N 2.9Å; A122-E125 PolarHBondContact O-N 3.46Å; A122-V126 WeakPolarHBondContact O-CG2 3.09Å; A122-V126 PolarHBondContact O-N 3Å; A122-W173 HydrophobicContact CB-CH2 4.15Å; A122-W173 HydrophobicContact CB-CZ2 4.46Å; A122-I186 HydrophobicContact CB-CD1 4.25Å; A122-I186 HydrophobicContact CB-CG2 4.22Å; A122-L203 HydrophobicContact CB-CD1 4.29Å; A122-V205 HydrophobicContact CB-CG2 4.37Å
123	W	97.7	Very high	94.8	Very high	11 Å²	11	36.8 Å²	36.8	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-44.6	174.8	179.4	-126.5	0	0	0	112.5	I68 P69 N119 E120 L121 E125 V126 L127 W173 I175	I68-W123 HydrophobicContact CB-CD2 4.48Å; I68-W123 HydrophobicContact CB-CG 4.4Å; I68-W123 HydrophobicContact CD1-CB 3.83Å; I68-W123 HydrophobicContact CD1-CG 4.16Å; I68-W123 HydrophobicContact CG1-CB 3.85Å; I68-W123 HydrophobicContact CG1-CD2 4.24Å; I68-W123 HydrophobicContact CG1-CG 3.69Å; I68-W123 HydrophobicContact CG2-CD2 3.84Å; I68-W123 HydrophobicContact CG2-CE3 4.04Å; I68-W123 HydrophobicContact CG2-CG 4.22Å; I68-W123 HydrophobicContact CG2-CZ2 4.37Å; I68-W123 HydrophobicContact CG2-CZ3 4.4Å; P69-W123 HydrophobicContact CG-CZ2 4.08Å; N119-W123 PolarHBondContact O-N 2.93Å; E120-W123 PolarHBondContact O-N 3.23Å; L121-W123 VanDerWaalsContact C-N 3.33Å; L121-W123 PolarHBondContact O-N 3.31Å; W123-E125 VanDerWaalsContact C-N 3.3Å; W123-E125 PolarHBondContact O-N 2.87Å; W123-V126 HydrophobicContact CE3-CB 4.08Å; W123-V126 HydrophobicContact CE3-CG1 4.03Å; W123-V126 HydrophobicContact CZ3-CB 4.38Å; W123-V126 HydrophobicContact CZ3-CG1 3.82Å; W123-V126 WeakPolarHBondContact O-CA 3.42Å; W123-V126 WeakPolarHBondContact O-CB 3.45Å; W123-V126 PolarHBondContact O-N 3.34Å; W123-V126 VanDerWaalsContact O-N 3.11Å; W123-L127 HydrophobicContact CD2-CG 4.29Å; W123-L127 HydrophobicContact CH2-CD2 4.1Å; W123-L127 HydrophobicContact CZ2-CD1 4.5Å; W123-L127 HydrophobicContact CZ2-CD2 3.67Å; W123-L127 HydrophobicContact CZ2-CG 4.17Å; W123-L127 WeakPolarHBondContact O-CG 3.38Å; W123-L127 PolarHBondContact O-N 3.24Å; W123-W173 HydrophobicContact CB-CH2 4.42Å; W123-W173 HydrophobicContact CB-CZ3 4.06Å; W123-W173 HydrophobicContact CE3-CE3 4.43Å; W123-W173 HydrophobicContact CE3-CZ3 4.03Å; W123-I175 HydrophobicContact CZ3-CD1 3.78Å
124	R	97.1	Very high	95	Very high	128 Å²	128	35 Å²	35	48%	0.483	18%	0.179	S	C	.	.	H	α-helix	trans	-62.3	-37	176.4	-175.7	176.9	57.1	141.7	7.3	112.5	E120 L121 A122 L127 K128	E120-R124 WeakPolarHBondContact O-CB 3.3Å; E120-R124 PolarHBondContact O-N 2.91Å; L121-R124 PolarHBondContact O-N 3.45Å; A122-R124 PolarHBondContact O-N 2.9Å; R124-L127 PolarHBondContact O-N 2.82Å; R124-K128 WeakPolarHBondContact O-CG 3.25Å; R124-K128 PolarHBondContact O-N 2.88Å
125	E	96.5	Very high	95.4	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-40.5	172.6	-65.7	-52.2	132.7	0	0	111.6	L121 A122 W123 L127 K128 W129 V205	L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 2.98Å; A122-E125 PolarHBondContact O-N 3.46Å; W123-E125 VanDerWaalsContact C-N 3.3Å; W123-E125 PolarHBondContact O-N 2.87Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.83Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 3.34Å; E125-K128 VanDerWaalsContact O-N 3.16Å; E125-K128 IonicContact OE1-NZ 3.76Å; E125-K128 PolarHBondContact OE1-NZ 3.19Å; E125-K128 WeakPolarHBondContact OE2-CD 3.25Å; E125-K128 IonicContact OE2-NZ 2.99Å; E125-K128 PolarHBondContact OE2-NZ 2.82Å; E125-K128 VanDerWaalsContact OE2-NZ 3.08Å; E125-W129 VanDerWaalsContact O-CD1 3.24Å; E125-W129 PolarHBondContact O-N 3.36Å; E125-V205 HydrophobicContact CB-CB 3.7Å; E125-V205 HydrophobicContact CB-CG1 3.9Å; E125-V205 HydrophobicContact CB-CG2 3.79Å; E125-V205 HydrophobicContact CG-CB 4.47Å; E125-V205 HydrophobicContact CG-CG2 4.26Å
126	V	98.1	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-46.2	172.3	169.5	0	0	0	0	110.7	A122 W123 K128 W129 E130 W173 I175 Y184 V205	A122-V126 WeakPolarHBondContact O-CG2 3.09Å; A122-V126 PolarHBondContact O-N 3Å; W123-V126 HydrophobicContact CE3-CB 4.08Å; W123-V126 HydrophobicContact CE3-CG1 4.03Å; W123-V126 HydrophobicContact CZ3-CB 4.38Å; W123-V126 HydrophobicContact CZ3-CG1 3.82Å; W123-V126 WeakPolarHBondContact O-CA 3.42Å; W123-V126 WeakPolarHBondContact O-CB 3.45Å; W123-V126 PolarHBondContact O-N 3.34Å; W123-V126 VanDerWaalsContact O-N 3.11Å; V126-K128 VanDerWaalsContact C-N 3.26Å; V126-K128 PolarHBondContact O-N 3.31Å; V126-W129 WeakPolarHBondContact O-CB 3.06Å; V126-W129 PolarHBondContact O-N 3.02Å; V126-E130 HydrophobicContact CG1-CG 4.15Å; V126-E130 PolarHBondContact O-N 3.41Å; V126-W173 HydrophobicContact CG2-CE3 4.38Å; V126-I175 HydrophobicContact CG1-CD1 4.01Å; V126-I175 HydrophobicContact CG1-CG1 3.77Å; V126-Y184 HydrophobicContact CG1-CE1 4.45Å; V126-Y184 HydrophobicContact CG1-CE2 4.32Å; V126-Y184 HydrophobicContact CG2-CD1 4.05Å; V126-Y184 HydrophobicContact CG2-CE1 4.48Å; V126-Y184 HydrophobicContact CG2-CG 4.25Å; V126-V205 HydrophobicContact CG2-CG1 3.69Å
127	L	98	Very high	95.9	Very high	69 Å²	69	44.1 Å²	44.1	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-32.7	178.1	-69.4	178.9	0	0	0	113.1	W123 R124 E125 W129 E130 A131 P140	W123-L127 HydrophobicContact CD2-CG 4.29Å; W123-L127 HydrophobicContact CH2-CD2 4.1Å; W123-L127 HydrophobicContact CZ2-CD1 4.5Å; W123-L127 HydrophobicContact CZ2-CD2 3.67Å; W123-L127 HydrophobicContact CZ2-CG 4.17Å; W123-L127 WeakPolarHBondContact O-CG 3.38Å; W123-L127 PolarHBondContact O-N 3.24Å; R124-L127 PolarHBondContact O-N 2.82Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.83Å; L127-W129 VanDerWaalsContact C-N 3.33Å; L127-E130 PolarHBondContact O-N 3.49Å; L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 2.99Å; L127-P140 HydrophobicContact CD2-CG 3.67Å
128	K	96.9	Very high	96.1	Very high	115 Å²	115	49.8 Å²	49.8	50%	0.5	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-36.8	173.7	-68.2	173	-173	171.7	0	112.3	R124 E125 V126	R124-K128 WeakPolarHBondContact O-CG 3.25Å; R124-K128 PolarHBondContact O-N 2.88Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 3.34Å; E125-K128 VanDerWaalsContact O-N 3.16Å; E125-K128 IonicContact OE1-NZ 3.76Å; E125-K128 PolarHBondContact OE1-NZ 3.19Å; E125-K128 WeakPolarHBondContact OE2-CD 3.25Å; E125-K128 IonicContact OE2-NZ 2.99Å; E125-K128 PolarHBondContact OE2-NZ 2.82Å; E125-K128 VanDerWaalsContact OE2-NZ 3.08Å; V126-K128 VanDerWaalsContact C-N 3.26Å; V126-K128 PolarHBondContact O-N 3.31Å
129	W	97.9	Very high	96.3	Very high	16 Å²	16	54 Å²	54	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-44.7	174.2	-74.5	99.7	0	0	0	111.3	E125 V126 L127 A131 L132 Y184 V205 R206 P207 D217 R218 V221	E125-W129 VanDerWaalsContact O-CD1 3.24Å; E125-W129 PolarHBondContact O-N 3.36Å; V126-W129 WeakPolarHBondContact O-CB 3.06Å; V126-W129 PolarHBondContact O-N 3.02Å; L127-W129 VanDerWaalsContact C-N 3.33Å; W129-A131 PolarHBondContact O-N 2.95Å; W129-L132 HydrophobicContact CE3-CD1 4.3Å; W129-L132 WeakPolarHBondContact O-CB 3.42Å; W129-L132 WeakPolarHBondContact O-CG 3.38Å; W129-L132 PolarHBondContact O-N 3.28Å; W129-L132 VanDerWaalsContact O-N 3.1Å; W129-Y184 HydrophobicContact CB-CE1 3.65Å; W129-Y184 WeakPolarHBondContact CB-OH 3.33Å; W129-Y184 AromaticContact CG-CE1 3.86Å; W129-Y184 HydrophobicContact CG-CE1 3.86Å; W129-V205 PolarHBondContact NE1-O 2.9Å; W129-R206 HydrophobicContact CZ2-CB 3.97Å; W129-P207 VanDerWaalsContact CD2-CD 3.44Å; W129-P207 HydrophobicContact CD2-CG 3.99Å; W129-P207 VanDerWaalsContact CE3-CD 3.42Å; W129-P207 HydrophobicContact CE3-CG 3.63Å; W129-P207 HydrophobicContact CG-CG 4.41Å; W129-P207 HydrophobicContact CZ3-CG 4.06Å; W129-D217 HydrophobicContact CE3-CB 4.29Å; W129-D217 HydrophobicContact CZ3-CB 4.17Å; W129-R218 HydrophobicContact CH2-CG 3.99Å; W129-R218 HydrophobicContact CZ3-CG 4.18Å; W129-V221 HydrophobicContact CE3-CG2 3.78Å; W129-V221 HydrophobicContact CH2-CB 3.72Å; W129-V221 HydrophobicContact CH2-CG1 3.86Å; W129-V221 HydrophobicContact CH2-CG2 3.91Å; W129-V221 HydrophobicContact CZ2-CG1 4.19Å; W129-V221 HydrophobicContact CZ3-CB 3.73Å; W129-V221 HydrophobicContact CZ3-CG1 4.26Å; W129-V221 HydrophobicContact CZ3-CG2 3.43Å; W129-V221 VanDerWaalsContact CZ3-CG2 3.43Å
130	E	98	Very high	96.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-22.1	178.4	-68.5	-61.7	113.9	0	0	112.7	V126 L127 L132 H133 A134 P140 I175 R177 Y184	V126-E130 HydrophobicContact CG1-CG 4.15Å; V126-E130 PolarHBondContact O-N 3.41Å; L127-E130 PolarHBondContact O-N 3.49Å; E130-L132 PolarHBondContact O-N 3.37Å; E130-H133 CarbonylContact O-C 3.53Å; E130-H133 WeakPolarHBondContact O-CA 3.32Å; E130-H133 PolarHBondContact O-N 3.1Å; E130-A134 PolarHBondContact O-N 2.86Å; E130-P140 HydrophobicContact CB-CB 4.42Å; E130-P140 HydrophobicContact CB-CG 3.99Å; E130-P140 HydrophobicContact CG-CB 4.15Å; E130-P140 HydrophobicContact CG-CG 4.18Å; E130-I175 HydrophobicContact CG-CG2 4.46Å; E130-R177 IonicContact OE1-CZ 3.55Å; E130-R177 IonicContact OE1-NE 2.77Å; E130-R177 IonicContact OE1-NH2 2.65Å; E130-R177 PolarHBondContact OE1-NH2 2.72Å; E130-R177 WeakPolarHBondContact OE2-CG 3.16Å; E130-R177 IonicContact OE2-CZ 3.78Å; E130-R177 IonicContact OE2-NE 3.92Å; E130-R177 PolarHBondContact OE2-NE 3.39Å; E130-R177 IonicContact OE2-NH2 3.08Å; E130-R177 PolarHBondContact OE2-NH2 3.44Å; E130-Y184 WeakPolarHBondContact OE1-CE2 3.27Å; E130-Y184 PolarHBondContact OE1-OH 3.07Å
131	A	96.9	Very high	96.5	Very high	65 Å²	65	54.3 Å²	54.3	54%	0.537	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23.1	172.4	0	0	0	0	0	113.7	L127 W129 H133 A134	L127-A131 WeakPolarHBondContact O-CB 3.34Å; L127-A131 PolarHBondContact O-N 2.99Å; W129-A131 PolarHBondContact O-N 2.95Å; A131-H133 PolarHBondContact O-N 3.39Å; A131-A134 WeakPolarHBondContact O-CB 3.41Å; A131-A134 PolarHBondContact O-N 2.93Å
132	L	96.3	Very high	96.7	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.267	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.1	-21	171.3	-62	174.2	0	0	0	112.6	W129 E130 D217 L220 V221 M224	W129-L132 HydrophobicContact CE3-CD1 4.3Å; W129-L132 WeakPolarHBondContact O-CB 3.42Å; W129-L132 WeakPolarHBondContact O-CG 3.38Å; W129-L132 PolarHBondContact O-N 3.28Å; W129-L132 VanDerWaalsContact O-N 3.1Å; E130-L132 PolarHBondContact O-N 3.37Å; L132-D217 HydrophobicContact CD1-CB 4.19Å; L132-L220 HydrophobicContact CD2-CD2 4Å; L132-V221 HydrophobicContact CD1-CG2 3.73Å; L132-M224 HydrophobicContact CD2-CE 4.31Å
133	H	96.9	Very high	96.7	Very high	20 Å²	20	56 Å²	56	9%	0.093	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-117.5	24.8	-175.6	-55.1	-81.8	0	0	0	111.7	E130 A131 N135 E136 C137 R177 D217	E130-H133 CarbonylContact O-C 3.53Å; E130-H133 WeakPolarHBondContact O-CA 3.32Å; E130-H133 PolarHBondContact O-N 3.1Å; A131-H133 PolarHBondContact O-N 3.39Å; H133-N135 PolarHBondContact O-N 2.95Å; H133-E136 HydrophobicContact CB-CB 4.37Å; H133-E136 HydrophobicContact CB-CG 4.37Å; H133-E136 IonicContact ND1-OE1 3.37Å; H133-E136 IonicContact ND1-OE2 3.26Å; H133-E136 WeakPolarHBondContact O-CA 3.44Å; H133-E136 WeakPolarHBondContact O-CB 3.38Å; H133-E136 PolarHBondContact O-N 2.88Å; H133-C137 PolarHBondContact O-N 2.83Å; H133-R177 PolarHBondContact CD2-NH1 2.86Å; H133-R177 VanDerWaalsContact CD2-NH1 3.34Å; H133-R177 PolarHBondContact CD2-NH2 2.87Å; H133-R177 PolarHBondContact CE1-NH1 3.33Å; H133-R177 PolarHBondContact ND1-NH1 3.03Å; H133-R177 PolarHBondContact NE2-NH2 2.66Å; H133-D217 IonicContact CD2-OD2 3.71Å; H133-D217 IonicContact CE1-OD1 3.98Å; H133-D217 PolarHBondContact CE1-OD1 3.13Å; H133-D217 IonicContact CE1-OD2 2.92Å; H133-D217 IonicContact NE2-OD1 3.94Å; H133-D217 PolarHBondContact NE2-OD1 3Å; H133-D217 IonicContact NE2-OD2 2.67Å; H133-D217 PolarHBondContact NE2-OD2 3.37Å
134	A	95.6	Very high	96.6	Very high	40 Å²	40	60.8 Å²	60.8	33%	0.331	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.7	179.4	0	0	0	0	0	113.1	E130 A131 E136 M138	E130-A134 PolarHBondContact O-N 2.86Å; A131-A134 WeakPolarHBondContact O-CB 3.41Å; A131-A134 PolarHBondContact O-N 2.93Å; A134-E136 VanDerWaalsContact C-N 3.31Å; A134-M138 HydrophobicContact CB-SD 3.71Å; A134-M138 WeakPolarHBondContact O-CG 3.15Å
135	N	95.6	Very high	96.5	Very high	142 Å²	142	56.9 Å²	56.9	76%	0.759	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.1	172.6	63.5	-45.7	0	0	0	113.3	H133	H133-N135 PolarHBondContact O-N 2.95Å
136	E	94.8	Very high	96.2	Very high	98 Å²	98	56.3 Å²	56.3	46%	0.458	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-44	175.5	-57.6	-178.3	175	0	0	110.9	H133 A134 R177	H133-E136 HydrophobicContact CB-CB 4.37Å; H133-E136 HydrophobicContact CB-CG 4.37Å; H133-E136 IonicContact ND1-OE1 3.37Å; H133-E136 IonicContact ND1-OE2 3.26Å; H133-E136 WeakPolarHBondContact O-CA 3.44Å; H133-E136 WeakPolarHBondContact O-CB 3.38Å; H133-E136 PolarHBondContact O-N 2.88Å; A134-E136 VanDerWaalsContact C-N 3.31Å; E136-R177 VanDerWaalsContact OE2-CD 3.25Å; E136-R177 WeakPolarHBondContact OE2-CD 3.39Å; E136-R177 IonicContact OE2-CZ 3.69Å; E136-R177 IonicContact OE2-NH1 3.65Å; E136-R177 PolarHBondContact OE2-NH1 2.9Å
137	C	95.7	Very high	95.6	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.041	32%	0.316	C	S	.	.			trans	-155.2	120.5	-174.5	-169.4	0	0	0	0	111.9	H133 R177 C178	H133-C137 PolarHBondContact O-N 2.83Å; C137-R177 HydrophobicContact CB-CB 4.5Å; C137-R177 HydrophobicContact CB-CG 3.43Å; C137-R177 VanDerWaalsContact CB-CG 3.43Å; C137-C178 VanDerWaalsContact CA-SG 3.56Å; C137-C178 HydrophobicContact CB-CB 3.66Å; C137-C178 WeakPolarHBondContact CB-SG 3.49Å; C137-C178 WeakPolarHBondContact SG-CB 3.27Å; C137-C178 PolarHBondContact SG-N 3.38Å; C137-C178 CovalentContact SG-SG 2.04Å; C137-C178 PolarHBondContact SG-SG 2.93Å
138	M	95.6	Very high	94.8	Very high	147 Å²	147	57.1 Å²	57.1	72%	0.724	31%	0.309	S	S	*	.	S	Bend	trans	-87.8	-14.6	176.2	-72.7	-63.5	-62.9	0	0	113.6	A134	A134-M138 HydrophobicContact CB-SD 3.71Å; A134-M138 WeakPolarHBondContact O-CG 3.15Å
139	T	95	Very high	93.7	Very high	95 Å²	95	52.2 Å²	52.2	58%	0.583	29%	0.289	S	S	*	.	S	Bend	trans	-132.4	64	-173	58.9	0	0	0	0	111.2
140	P	97	Very high	92.5	Very high	10 Å²	10	56.3 Å²	56.3	7%	0.065	31%	0.307	C	S	.	.			trans	-62.5	148.1	175.5	29.2	-36.3	0	0	0	110.7	L127 E130 I175 D176	L127-P140 HydrophobicContact CD2-CG 3.67Å; E130-P140 HydrophobicContact CB-CB 4.42Å; E130-P140 HydrophobicContact CB-CG 3.99Å; E130-P140 HydrophobicContact CG-CB 4.15Å; E130-P140 HydrophobicContact CG-CG 4.18Å; P140-I175 HydrophobicContact CB-CG2 3.8Å; P140-D176 WeakPolarHBondContact CA-O 3.5Å
141	K	97.3	Very high	91.9	Very high	62 Å²	62	61 Å²	61	27%	0.27	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.4	-177.6	-58.6	177.3	177.4	-177.8	0	111.8	P69 K70 A71 R143 I175 D176	P69-K141 HydrophobicContact CB-CG 4.11Å; P69-K141 HydrophobicContact CG-CB 4.34Å; P69-K141 HydrophobicContact CG-CG 4.07Å; K70-K141 WeakPolarHBondContact O-CD 3.23Å; A71-K141 HydrophobicContact CB-CB 3.99Å; K141-R143 PolarHBondContact O-N 2.82Å; K141-I175 CarbonylContact O-C 3.59Å; K141-I175 WeakPolarHBondContact O-CA 3.19Å; K141-I175 WeakPolarHBondContact O-CG2 3.2Å; K141-D176 PolarHBondContact N-O 2.72Å; K141-D176 PolarHBondContact O-N 3.05Å
142	L	98	Very high	91.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116	173.9	178.5	62.7	0	0	0	109	I68 P69 A71 W79 R144 F145 W173 I175	I68-L142 HydrophobicContact CG2-CB 3.56Å; I68-L142 HydrophobicContact CG2-CD2 3.85Å; I68-L142 HydrophobicContact CG2-CG 4.36Å; P69-L142 PolarHBondContact O-N 2.91Å; A71-L142 PolarHBondContact N-O 2.77Å; W79-L142 HydrophobicContact CG-CD2 4.48Å; W79-L142 HydrophobicContact CZ2-CG 4.5Å; W79-L142 PolarHBondContact NE1-O 2.85Å; L142-R144 WeakPolarHBondContact CD1-O 3.15Å; L142-F145 HydrophobicContact CD1-CB 4.49Å; L142-F145 HydrophobicContact CD2-CB 4.48Å; L142-F145 HydrophobicContact CD2-CD1 3.88Å; L142-W173 HydrophobicContact CD1-CB 3.94Å; L142-W173 HydrophobicContact CD1-CD2 4.01Å; L142-W173 HydrophobicContact CD1-CE3 3.89Å; L142-W173 HydrophobicContact CD1-CG 4.06Å; L142-W173 HydrophobicContact CD2-CD2 4.37Å; L142-W173 HydrophobicContact CD2-CE3 4.16Å; L142-W173 HydrophobicContact CD2-CZ3 4.29Å; L142-I175 HydrophobicContact CB-CD1 4.49Å; L142-I175 HydrophobicContact CD1-CD1 3.66Å
143	R	96.3	Very high	91.1	Very high	54 Å²	54	59.9 Å²	59.9	20%	0.204	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-47.8	178.8	-176.8	171.6	-78.4	-85.3	-8.3	111.7	A71 D72 K141 V174 D176 E181	A71-R143 HydrophobicContact CB-CB 3.65Å; A71-R143 HydrophobicContact CB-CG 4.06Å; D72-R143 IonicContact OD1-CZ 3.53Å; D72-R143 VanDerWaalsContact OD1-CZ 3.25Å; D72-R143 IonicContact OD1-NH1 3.83Å; D72-R143 PolarHBondContact OD1-NH1 3.44Å; D72-R143 IonicContact OD1-NH2 2.75Å; D72-R143 PolarHBondContact OD1-NH2 2.95Å; D72-R143 IonicContact OD2-NH1 3.16Å; D72-R143 PolarHBondContact OD2-NH1 3.24Å; K141-R143 PolarHBondContact O-N 2.82Å; R143-V174 WeakPolarHBondContact CB-O 3.4Å; R143-V174 PolarHBondContact N-O 3.26Å; R143-D176 HydrophobicContact CB-CB 4.27Å; R143-D176 IonicContact CZ-OD2 3.49Å; R143-D176 IonicContact NE-OD2 3.57Å; R143-D176 IonicContact NH2-OD2 3.61Å; R143-D176 PolarHBondContact NH2-OD2 3.4Å; R143-E181 WeakPolarHBondContact CD-OE1 3.13Å; R143-E181 IonicContact NE-OE1 3.72Å; R143-E181 PolarHBondContact NE-OE1 3.13Å
144	R	95.6	Very high	90.7	Very high	110 Å²	110	63.7 Å²	63.7	42%	0.415	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.1	179.3	52.1	-177	155.3	143.3	-4.3	111.8	E41 L142 V174 E181	E41-R144 CarbonylContact O-C 3.56Å; E41-R144 WeakPolarHBondContact O-CA 3.09Å; E41-R144 WeakPolarHBondContact O-CB 3.45Å; L142-R144 WeakPolarHBondContact CD1-O 3.15Å; R144-V174 HydrophobicContact CG-CB 3.54Å; R144-V174 HydrophobicContact CG-CG1 4.37Å; R144-V174 HydrophobicContact CG-CG2 3.71Å; R144-V174 PolarHBondContact N-O 3.44Å; R144-V174 PolarHBondContact O-N 2.96Å; R144-E181 IonicContact CZ-OE2 3.37Å; R144-E181 IonicContact NE-OE2 2.76Å; R144-E181 IonicContact NH2-OE1 3.82Å; R144-E181 IonicContact NH2-OE2 3.55Å; R144-E181 PolarHBondContact NH2-OE2 3.12Å
145	F	94.8	Very high	90.3	Very high	47 Å²	47	66.8 Å²	66.8	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.5	175.3	62.3	-85.9	0	0	0	110.3	E41 N42 M44 W79 L142 D172 W173	E41-F145 PolarHBondContact O-N 3.27Å; N42-F145 VanDerWaalsContact CA-O 3.25Å; N42-F145 WeakPolarHBondContact CA-O 3.28Å; N42-F145 HydrophobicContact CB-CD1 4.14Å; N42-F145 HydrophobicContact CB-CD2 4.22Å; N42-F145 HydrophobicContact CB-CE1 3.66Å; N42-F145 HydrophobicContact CB-CE2 3.74Å; N42-F145 HydrophobicContact CB-CG 4.42Å; N42-F145 HydrophobicContact CB-CZ 3.44Å; N42-F145 VanDerWaalsContact CB-CZ 3.44Å; M44-F145 HydrophobicContact CE-CZ 4.25Å; W79-F145 HydrophobicContact CD2-CE1 4.02Å; W79-F145 AromaticContact CE3-CE1 3.67Å; W79-F145 HydrophobicContact CE3-CE1 3.67Å; W79-F145 HydrophobicContact CE3-CZ 4.44Å; W79-F145 HydrophobicContact CH2-CD1 4.33Å; W79-F145 AromaticContact CH2-CE1 3.88Å; W79-F145 HydrophobicContact CH2-CE1 3.88Å; W79-F145 HydrophobicContact CZ2-CD1 4.35Å; W79-F145 HydrophobicContact CZ2-CE1 4.21Å; W79-F145 HydrophobicContact CZ3-CD1 4.48Å; W79-F145 AromaticContact CZ3-CE1 3.61Å; W79-F145 HydrophobicContact CZ3-CE1 3.61Å; W79-F145 HydrophobicContact CZ3-CZ 4.43Å; L142-F145 HydrophobicContact CD1-CB 4.49Å; L142-F145 HydrophobicContact CD2-CB 4.48Å; L142-F145 HydrophobicContact CD2-CD1 3.88Å; F145-D172 CarbonylContact C-O 3.6Å; F145-D172 WeakPolarHBondContact CA-O 3.49Å; F145-W173 VanDerWaalsContact CB-CD1 3.43Å; F145-W173 HydrophobicContact CB-CD2 4.48Å; F145-W173 HydrophobicContact CB-CG 4.01Å
146	A	89.7	Confident	90.1	Very high	29 Å²	29	60 Å²	60	24%	0.24	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.7	178.7	0	0	0	0	0	111.5	L43 H171 D172	L43-A146 HydrophobicContact CD1-CB 4.17Å; A146-H171 WeakPolarHBondContact O-CA 3.39Å; A146-D172 PolarHBondContact N-O 3.09Å; A146-D172 PolarHBondContact O-N 3.01Å
147	G	85.3	Confident	89.9	Confident	47 Å²	47	63.8 Å²	63.8	49%	0.485	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.3	171.5	0	0	0	0	0	111	H171	G147-H171 WeakPolarHBondContact CA-CD2 3.14Å
148	D	82.4	Confident	89.7	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.214	34%	0.34	C	S	.	.			trans	-136.7	38.3	-178.6	-169.6	29.4	0	0	0	111.7	K150 N151 R170	D148-K150 PolarHBondContact O-N 3.14Å; D148-N151 PolarHBondContact O-N 2.91Å; D148-N151 VanDerWaalsContact O-N 3.09Å; D148-N151 WeakPolarHBondContact OD1-CB 3.23Å; D148-N151 PolarHBondContact OD1-ND2 2.91Å; D148-N151 WeakPolarHBondContact OD2-CB 3.38Å; D148-R170 PolarHBondContact N-O 2.68Å; D148-R170 WeakPolarHBondContact O-CD 3.32Å; D148-R170 IonicContact OD2-CZ 3.25Å; D148-R170 IonicContact OD2-NH1 2.71Å; D148-R170 PolarHBondContact OD2-NH1 2.91Å
149	A	73.5	Confident	89.4	Confident	11 Å²	11	64.9 Å²	64.9	9%	0.091	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.6	-171.1	0	0	0	0	0	115.1	I23	I23-A149 HydrophobicContact CB-CB 4.03Å; I23-A149 HydrophobicContact CG2-CB 3.92Å; I23-A149 VanDerWaalsContact O-CB 3.31Å; I23-A149 WeakPolarHBondContact O-CB 3.42Å
150	K	72.8	Confident	89.2	Confident	102 Å²	102	67 Å²	67	44%	0.443	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-32.5	179	-72.2	-167.8	174.9	-179.6	0	113.8	K25 G26 D148 Y152	K25-K150 HydrophobicContact CB-CD 4.07Å; K25-K150 WeakPolarHBondContact O-CE 3.42Å; K25-K150 PolarHBondContact O-NZ 2.92Å; G26-K150 PolarHBondContact O-NZ 2.91Å; D148-K150 PolarHBondContact O-N 3.14Å; K150-Y152 VanDerWaalsContact C-N 3.31Å; K150-Y152 PolarHBondContact O-N 3.1Å; K150-Y152 VanDerWaalsContact O-N 3.11Å
151	N	84.9	Confident	89	Confident	103 Å²	103	70.9 Å²	70.9	55%	0.551	35%	0.347	S	S	*	.	S	Bend	trans	-93.5	70.2	-172.3	-63.1	-49.6	0	0	0	109.5	D148 S153 R170	D148-N151 PolarHBondContact O-N 2.91Å; D148-N151 VanDerWaalsContact O-N 3.09Å; D148-N151 WeakPolarHBondContact OD1-CB 3.23Å; D148-N151 PolarHBondContact OD1-ND2 2.91Å; D148-N151 WeakPolarHBondContact OD2-CB 3.38Å; N151-S153 PolarHBondContact O-N 3.29Å; N151-R170 PolarHBondContact O-NE 3.39Å; N151-R170 PolarHBondContact O-NH2 3.3Å
152	Y	87.8	Confident	88.8	Confident	91 Å²	91	73.6 Å²	73.6	36%	0.357	36%	0.363	S	S	.	.			trans	-49.1	133.8	178.2	-63.6	-64.3	0	0	0	111.5	K150 L166 P167	K150-Y152 VanDerWaalsContact C-N 3.31Å; K150-Y152 PolarHBondContact O-N 3.1Å; K150-Y152 VanDerWaalsContact O-N 3.11Å; Y152-L166 HydrophobicContact CD1-CD2 3.97Å; Y152-L166 HydrophobicContact CD2-CD1 4.28Å; Y152-L166 HydrophobicContact CD2-CD2 4.36Å; Y152-L166 HydrophobicContact CE1-CB 4.04Å; Y152-L166 HydrophobicContact CE1-CD1 4.26Å; Y152-L166 HydrophobicContact CE1-CD2 4.27Å; Y152-L166 HydrophobicContact CE1-CG 4.42Å; Y152-L166 HydrophobicContact CE2-CD1 3.86Å; Y152-L166 HydrophobicContact CG-CD2 4.01Å; Y152-P167 HydrophobicContact CD1-CG 4.06Å; Y152-P167 HydrophobicContact CE1-CG 4.31Å
153	S	88.7	Confident	88.4	Confident	2 Å²	2	76.8 Å²	76.8	1%	0.014	40%	0.396	C	S	.	.			trans	-60.7	151.7	-179.3	71.7	0	0	0	0	110.8	N151 R155 A156 R157 D187 R206	N151-S153 PolarHBondContact O-N 3.29Å; S153-R155 PolarHBondContact O-N 2.79Å; S153-R155 VanDerWaalsContact O-N 3.1Å; S153-A156 PolarHBondContact O-N 3.06Å; S153-A156 WeakPolarHBondContact OG-CB 3.2Å; S153-A156 PolarHBondContact OG-N 3.38Å; S153-R157 WeakPolarHBondContact O-CG 3.36Å; S153-R157 PolarHBondContact O-N 3.4Å; S153-D187 PolarHBondContact OG-OD2 3.4Å; S153-R206 PolarHBondContact OG-NH2 3.34Å
154	P	87.8	Confident	88	Confident	100 Å²	100	81.3 Å²	81.3	65%	0.649	41%	0.414	S	S	*	.	H	α-helix	trans	-51.4	-37.4	174.5	-28.7	35.3	0	0	0	112.3	R157 I158	P154-R157 PolarHBondContact O-N 3Å; P154-I158 WeakPolarHBondContact O-CD1 3.34Å; P154-I158 VanDerWaalsContact O-CG1 3.28Å; P154-I158 WeakPolarHBondContact O-CG1 3.21Å; P154-I158 PolarHBondContact O-N 3.07Å
155	R	88.4	Confident	87.6	Confident	104 Å²	104	82.2 Å²	82.2	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-46.4	174.5	-175.2	179.5	174.8	92.5	-7.8	112.6	S153 R157 I158 R159 D204	S153-R155 PolarHBondContact O-N 2.79Å; S153-R155 VanDerWaalsContact O-N 3.1Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R155-R157 PolarHBondContact O-N 2.93Å; R155-I158 PolarHBondContact O-N 2.97Å; R155-R159 WeakPolarHBondContact O-CB 3.04Å; R155-R159 WeakPolarHBondContact O-CG 3.34Å; R155-R159 PolarHBondContact O-N 2.97Å; R155-D204 IonicContact CZ-OD2 2.79Å; R155-D204 IonicContact NE-OD1 2.66Å; R155-D204 IonicContact NE-OD2 3.32Å; R155-D204 PolarHBondContact NE-OD2 3.4Å; R155-D204 IonicContact NH2-OD2 3.99Å
156	A	90	Very high	87.3	Confident	0 Å²	0	82 Å²	82	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-63.2	-39.1	176.5	0	0	0	0	0	111.8	S153 R159 R160 L166 P167	S153-A156 PolarHBondContact O-N 3.06Å; S153-A156 WeakPolarHBondContact OG-CB 3.2Å; S153-A156 PolarHBondContact OG-N 3.38Å; A156-R159 PolarHBondContact O-N 3.15Å; A156-R160 WeakPolarHBondContact O-CB 3.31Å; A156-R160 PolarHBondContact O-N 2.75Å; A156-L166 HydrophobicContact CB-CD2 4.27Å; A156-P167 HydrophobicContact CB-CG 4.2Å
157	R	91.1	Very high	87.3	Confident	178 Å²	178	80.8 Å²	80.8	67%	0.672	41%	0.414	S	S	*	.	H	α-helix	trans	-63.9	-44.8	176.3	-65.4	175.8	72.8	175.2	3.2	112.2	S153 P154 R155 R160 A161	S153-R157 WeakPolarHBondContact O-CG 3.36Å; S153-R157 PolarHBondContact O-N 3.4Å; P154-R157 PolarHBondContact O-N 3Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R155-R157 PolarHBondContact O-N 2.93Å; R157-R160 PolarHBondContact O-N 2.77Å; R157-A161 PolarHBondContact O-N 3.37Å
158	I	91.2	Very high	87.4	Confident	109 Å²	109	80.7 Å²	80.7	56%	0.559	40%	0.4	S	S	*	.	H	α-helix	trans	-63.6	-44.5	176.3	-68.6	163.9	0	0	0	110.7	P154 R155 R160 A161 M162	P154-I158 WeakPolarHBondContact O-CD1 3.34Å; P154-I158 VanDerWaalsContact O-CG1 3.28Å; P154-I158 WeakPolarHBondContact O-CG1 3.21Å; P154-I158 PolarHBondContact O-N 3.07Å; R155-I158 PolarHBondContact O-N 2.97Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.05Å; I158-A161 WeakPolarHBondContact O-CB 3.43Å; I158-A161 PolarHBondContact O-N 3.41Å; I158-A161 VanDerWaalsContact O-N 3.15Å; I158-M162 HydrophobicContact CG2-CE 4.03Å; I158-M162 PolarHBondContact O-N 2.76Å; I158-M162 VanDerWaalsContact O-N 3.15Å
159	R	90.5	Very high	87.7	Confident	66 Å²	66	79.5 Å²	79.5	25%	0.249	39%	0.393	C	S	.	.	H	α-helix	trans	-57.6	-44.6	174.8	-80.7	179.1	167.9	176.8	-5.3	112	R155 A156 A161 M162 G163 Y164 Y189 D204	R155-R159 WeakPolarHBondContact O-CB 3.04Å; R155-R159 WeakPolarHBondContact O-CG 3.34Å; R155-R159 PolarHBondContact O-N 2.97Å; A156-R159 PolarHBondContact O-N 3.15Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.29Å; R159-M162 HydrophobicContact CG-CE 4.25Å; R159-M162 CarbonylContact O-C 3.6Å; R159-M162 PolarHBondContact O-N 3.15Å; R159-G163 PolarHBondContact O-N 3.42Å; R159-Y164 HydrophobicContact CB-CD2 4.44Å; R159-Y164 WeakPolarHBondContact O-CB 3.39Å; R159-Y164 WeakPolarHBondContact O-CD2 3.46Å; R159-Y164 PolarHBondContact O-N 2.93Å; R159-Y189 PolarHBondContact NH1-OH 2.76Å; R159-D204 IonicContact CZ-OD2 3.06Å; R159-D204 IonicContact NH1-OD2 3.78Å; R159-D204 PolarHBondContact NH1-OD2 2.77Å; R159-D204 IonicContact NH2-OD2 2.73Å; R159-D204 PolarHBondContact NH2-OD2 2.89Å
160	R	90.8	Very high	88.5	Confident	141 Å²	141	79.7 Å²	79.7	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-40.5	175.4	-179	55.6	175.4	-123.6	2	112.7	A156 R157 I158 M162 G163 Y164 L166	A156-R160 WeakPolarHBondContact O-CB 3.31Å; A156-R160 PolarHBondContact O-N 2.75Å; R157-R160 PolarHBondContact O-N 2.77Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.05Å; R160-M162 PolarHBondContact O-N 2.92Å; R160-G163 PolarHBondContact O-N 3.32Å; R160-Y164 WeakPolarHBondContact CA-O 3.49Å; R160-Y164 WeakPolarHBondContact CD-O 3.39Å; R160-L166 HydrophobicContact CB-CD2 3.73Å; R160-L166 HydrophobicContact CB-CG 4.01Å; R160-L166 HydrophobicContact CG-CD1 4.21Å; R160-L166 HydrophobicContact CG-CD2 4.2Å; R160-L166 HydrophobicContact CG-CG 4.01Å
161	A	92.3	Very high	89.5	Confident	90 Å²	90	75.8 Å²	75.8	74%	0.744	38%	0.375	S	S	*	.	H	α-helix	trans	-63	-26.8	175.7	0	0	0	0	0	113	R157 I158 R159 G163	R157-A161 PolarHBondContact O-N 3.37Å; I158-A161 WeakPolarHBondContact O-CB 3.43Å; I158-A161 PolarHBondContact O-N 3.41Å; I158-A161 VanDerWaalsContact O-N 3.15Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.29Å; A161-G163 VanDerWaalsContact C-N 3.32Å
162	M	93	Very high	90	Very high	120 Å²	120	72 Å²	72	59%	0.591	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8.8	174.7	-62.3	-177.4	-61.1	0	0	113.8	I158 R159 R160 Y164	I158-M162 HydrophobicContact CG2-CE 4.03Å; I158-M162 PolarHBondContact O-N 2.76Å; I158-M162 VanDerWaalsContact O-N 3.15Å; R159-M162 HydrophobicContact CG-CE 4.25Å; R159-M162 CarbonylContact O-C 3.6Å; R159-M162 PolarHBondContact O-N 3.15Å; R160-M162 PolarHBondContact O-N 2.92Å; M162-Y164 HydrophobicContact CB-CD2 3.85Å; M162-Y164 HydrophobicContact CB-CE2 3.89Å; M162-Y164 HydrophobicContact CE-CD2 4.31Å; M162-Y164 HydrophobicContact CE-CE2 4.18Å
163	G	89	Confident	90.4	Very high	69 Å²	69	67.9 Å²	67.9	71%	0.711	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	4.5	177.4	0	0	0	0	0	115.6	R159 R160 A161	R159-G163 PolarHBondContact O-N 3.42Å; R160-G163 PolarHBondContact O-N 3.32Å; A161-G163 VanDerWaalsContact C-N 3.32Å
164	Y	87.6	Confident	90.9	Very high	149 Å²	149	68.4 Å²	68.4	58%	0.584	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-80.5	156.5	174.4	-61.7	-87.8	0	0	0	111.8	R159 R160 M162	R159-Y164 HydrophobicContact CB-CD2 4.44Å; R159-Y164 WeakPolarHBondContact O-CB 3.39Å; R159-Y164 WeakPolarHBondContact O-CD2 3.46Å; R159-Y164 PolarHBondContact O-N 2.93Å; R160-Y164 WeakPolarHBondContact CA-O 3.49Å; R160-Y164 WeakPolarHBondContact CD-O 3.39Å; M162-Y164 HydrophobicContact CB-CD2 3.85Å; M162-Y164 HydrophobicContact CB-CE2 3.89Å; M162-Y164 HydrophobicContact CE-CD2 4.31Å; M162-Y164 HydrophobicContact CE-CE2 4.18Å
165	E	87.2	Confident	91.3	Very high	128 Å²	128	63.7 Å²	63.7	60%	0.598	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-69	152.8	175.5	-64	-171.7	167.4	0	0	112	Y189	E165-Y189 WeakPolarHBondContact O-CE1 3.42Å
166	L	88.9	Confident	91.8	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.225	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80.4	153.4	171.9	-75.7	168	0	0	0	109.2	Y152 A156 R160 F168	Y152-L166 HydrophobicContact CD1-CD2 3.97Å; Y152-L166 HydrophobicContact CD2-CD1 4.28Å; Y152-L166 HydrophobicContact CD2-CD2 4.36Å; Y152-L166 HydrophobicContact CE1-CB 4.04Å; Y152-L166 HydrophobicContact CE1-CD1 4.26Å; Y152-L166 HydrophobicContact CE1-CD2 4.27Å; Y152-L166 HydrophobicContact CE1-CG 4.42Å; Y152-L166 HydrophobicContact CE2-CD1 3.86Å; Y152-L166 HydrophobicContact CG-CD2 4.01Å; A156-L166 HydrophobicContact CB-CD2 4.27Å; R160-L166 HydrophobicContact CB-CD2 3.73Å; R160-L166 HydrophobicContact CB-CG 4.01Å; R160-L166 HydrophobicContact CG-CD1 4.21Å; R160-L166 HydrophobicContact CG-CD2 4.2Å; R160-L166 HydrophobicContact CG-CG 4.01Å; L166-F168 PolarHBondContact O-N 2.92Å
167	P	89.8	Confident	92.1	Very high	4 Å²	4	60 Å²	60	3%	0.026	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.3	138.7	172.2	28.8	-33.9	0	0	0	109.7	Y152 A156 D169 D187 Y188 Y189	Y152-P167 HydrophobicContact CD1-CG 4.06Å; Y152-P167 HydrophobicContact CE1-CG 4.31Å; A156-P167 HydrophobicContact CB-CG 4.2Å; P167-D169 VanDerWaalsContact C-N 3.27Å; P167-D187 HydrophobicContact CB-CB 3.83Å; P167-D187 HydrophobicContact CG-CB 4.01Å; P167-Y188 CarbonylContact C-O 3.47Å; P167-Y188 WeakPolarHBondContact CA-O 3.4Å; P167-Y188 WeakPolarHBondContact CB-O 3.35Å; P167-Y189 HydrophobicContact CB-CD1 4.16Å; P167-Y189 HydrophobicContact CB-CE1 3.99Å; P167-Y189 HydrophobicContact CB-CE2 4.35Å; P167-Y189 HydrophobicContact CB-CG 4.42Å; P167-Y189 HydrophobicContact CG-CE1 4.3Å
168	F	87.3	Confident	92.2	Very high	45 Å²	45	55.4 Å²	55.4	20%	0.197	29%	0.293	C	S	.	.	S	Bend	trans	-74.4	-25.1	176.2	65.1	-97.5	0	0	0	111.2	L166 Y188 Y189 F200 A201	L166-F168 PolarHBondContact O-N 2.92Å; F168-Y188 VanDerWaalsContact CD1-O 3.23Å; F168-Y188 WeakPolarHBondContact CD1-O 3.32Å; F168-Y188 WeakPolarHBondContact CE1-O 3.45Å; F168-Y188 HydrophobicContact CZ-CG 4.48Å; F168-Y188 PolarHBondContact N-O 2.89Å; F168-Y189 VanDerWaalsContact CE1-C 3.49Å; F168-Y189 WeakPolarHBondContact CE1-O 3.48Å; F168-F200 AromaticContact CE1-CE2 3.85Å; F168-F200 HydrophobicContact CE1-CE2 3.85Å; F168-F200 HydrophobicContact CE1-CZ 4.49Å; F168-F200 AromaticContact CE2-CE2 3.98Å; F168-F200 HydrophobicContact CE2-CE2 3.98Å; F168-F200 HydrophobicContact CE2-CZ 4.06Å; F168-F200 HydrophobicContact CZ-CD2 4.39Å; F168-F200 AromaticContact CZ-CE2 3.34Å; F168-F200 HydrophobicContact CZ-CE2 3.34Å; F168-F200 AromaticContact CZ-CZ 3.59Å; F168-F200 HydrophobicContact CZ-CZ 3.59Å; F168-A201 HydrophobicContact CE1-CB 4.2Å; F168-A201 HydrophobicContact CZ-CB 3.98Å
169	D	88.2	Confident	92.4	Very high	14 Å²	14	53.4 Å²	53.4	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149.3	176.7	-171.8	23.7	0	0	0	111.8	I23 P167 H171 Y188	I23-D169 HydrophobicContact CD1-CB 4.33Å; I23-D169 WeakPolarHBondContact CD1-OD1 3.34Å; I23-D169 WeakPolarHBondContact CD1-OD2 3.24Å; P167-D169 VanDerWaalsContact C-N 3.27Å; D169-H171 IonicContact OD1-CE1 3.68Å; D169-H171 IonicContact OD2-CE1 2.91Å; D169-H171 PolarHBondContact OD2-CE1 3.29Å; D169-H171 IonicContact OD2-ND1 3.3Å; D169-H171 PolarHBondContact OD2-ND1 3.47Å; D169-H171 IonicContact OD2-NE2 3.96Å; D169-Y188 HydrophobicContact CB-CD2 4.1Å; D169-Y188 HydrophobicContact CB-CG 4.35Å; D169-Y188 WeakPolarHBondContact O-CD2 3.27Å; D169-Y188 PolarHBondContact O-N 2.95Å
170	R	92.2	Very high	92.6	Very high	15 Å²	15	55 Å²	55	6%	0.057	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.4	-179.6	-176.9	-159.7	-144.9	-117.5	26.2	110.7	D148 N151 D172 I186 D187	D148-R170 PolarHBondContact N-O 2.68Å; D148-R170 WeakPolarHBondContact O-CD 3.32Å; D148-R170 IonicContact OD2-CZ 3.25Å; D148-R170 IonicContact OD2-NH1 2.71Å; D148-R170 PolarHBondContact OD2-NH1 2.91Å; N151-R170 PolarHBondContact O-NE 3.39Å; N151-R170 PolarHBondContact O-NH2 3.3Å; R170-D172 IonicContact CZ-OD1 3.78Å; R170-D172 IonicContact NH1-OD1 2.82Å; R170-D172 PolarHBondContact NH1-OD1 3.11Å; R170-D172 IonicContact NH1-OD2 3.28Å; R170-I186 WeakPolarHBondContact CA-O 3.26Å; R170-D187 WeakPolarHBondContact CG-OD1 3.49Å; R170-D187 IonicContact NE-OD1 3.63Å
171	H	93.1	Very high	92.9	Very high	20 Å²	20	52.8 Å²	52.8	9%	0.093	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.8	174.1	-71.5	113.6	0	0	0	112.1	A146 G147 D169 I186 Y188	A146-H171 WeakPolarHBondContact O-CA 3.39Å; G147-H171 WeakPolarHBondContact CA-CD2 3.14Å; D169-H171 IonicContact OD1-CE1 3.68Å; D169-H171 IonicContact OD2-CE1 2.91Å; D169-H171 PolarHBondContact OD2-CE1 3.29Å; D169-H171 IonicContact OD2-ND1 3.3Å; D169-H171 PolarHBondContact OD2-ND1 3.47Å; D169-H171 IonicContact OD2-NE2 3.96Å; H171-I186 HydrophobicContact CB-CB 4.46Å; H171-I186 PolarHBondContact N-O 2.87Å; H171-I186 PolarHBondContact O-N 2.92Å; H171-Y188 HydrophobicContact CB-CE2 4.35Å; H171-Y188 AromaticContact ND1-CE2 3.43Å; H171-Y188 WeakPolarHBondContact ND1-CE2 3.14Å
172	D	95	Very high	93.1	Very high	24 Å²	24	49 Å²	49	13%	0.128	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.3	166.1	-85.3	31.1	0	0	0	108.2	F145 A146 R170 R183 Y184	F145-D172 CarbonylContact C-O 3.6Å; F145-D172 WeakPolarHBondContact CA-O 3.49Å; A146-D172 PolarHBondContact N-O 3.09Å; A146-D172 PolarHBondContact O-N 3.01Å; R170-D172 IonicContact CZ-OD1 3.78Å; R170-D172 IonicContact NH1-OD1 2.82Å; R170-D172 PolarHBondContact NH1-OD1 3.11Å; R170-D172 IonicContact NH1-OD2 3.28Å; D172-R183 IonicContact OD2-CZ 2.85Å; D172-R183 IonicContact OD2-NH1 3.76Å; D172-R183 PolarHBondContact OD2-NH1 3.49Å; D172-Y184 WeakPolarHBondContact CA-O 3.47Å
173	W	97.4	Very high	93.3	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.1	177	-73.5	19.8	0	0	0	108.9	I68 A122 W123 V126 L142 F145 I175 R183 Y184 I186	I68-W173 HydrophobicContact CD1-CH2 3.83Å; I68-W173 HydrophobicContact CD1-CZ3 4.17Å; A122-W173 HydrophobicContact CB-CH2 4.15Å; A122-W173 HydrophobicContact CB-CZ2 4.46Å; W123-W173 HydrophobicContact CB-CH2 4.42Å; W123-W173 HydrophobicContact CB-CZ3 4.06Å; W123-W173 HydrophobicContact CE3-CE3 4.43Å; W123-W173 HydrophobicContact CE3-CZ3 4.03Å; V126-W173 HydrophobicContact CG2-CE3 4.38Å; L142-W173 HydrophobicContact CD1-CB 3.94Å; L142-W173 HydrophobicContact CD1-CD2 4.01Å; L142-W173 HydrophobicContact CD1-CE3 3.89Å; L142-W173 HydrophobicContact CD1-CG 4.06Å; L142-W173 HydrophobicContact CD2-CD2 4.37Å; L142-W173 HydrophobicContact CD2-CE3 4.16Å; L142-W173 HydrophobicContact CD2-CZ3 4.29Å; F145-W173 VanDerWaalsContact CB-CD1 3.43Å; F145-W173 HydrophobicContact CB-CD2 4.48Å; F145-W173 HydrophobicContact CB-CG 4.01Å; W173-I175 HydrophobicContact CB-CD1 4.29Å; W173-I175 HydrophobicContact CE3-CD1 4.44Å; W173-R183 CarbonylContact O-C 3.51Å; W173-R183 VanDerWaalsContact O-CA 3.3Å; W173-R183 WeakPolarHBondContact O-CA 2.76Å; W173-Y184 PolarHBondContact N-O 2.62Å; W173-Y184 PolarHBondContact O-N 3.34Å; W173-I186 HydrophobicContact CB-CD1 4.13Å; W173-I186 HydrophobicContact CD2-CD1 3.36Å; W173-I186 HydrophobicContact CE3-CD1 3.86Å; W173-I186 HydrophobicContact CG-CD1 3.48Å; W173-I186 VanDerWaalsContact CG-CD1 3.48Å; W173-I186 HydrophobicContact CZ2-CD1 4.19Å; W173-I186 HydrophobicContact CZ3-CD1 4.45Å
174	V	97.6	Very high	93.7	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.6	171.7	-177.5	0	0	0	0	108	R143 R144 E181 R183	R143-V174 WeakPolarHBondContact CB-O 3.4Å; R143-V174 PolarHBondContact N-O 3.26Å; R144-V174 HydrophobicContact CG-CB 3.54Å; R144-V174 HydrophobicContact CG-CG1 4.37Å; R144-V174 HydrophobicContact CG-CG2 3.71Å; R144-V174 PolarHBondContact N-O 3.44Å; R144-V174 PolarHBondContact O-N 2.96Å; V174-E181 HydrophobicContact CG1-CB 3.83Å; V174-E181 HydrophobicContact CG1-CG 4.11Å; V174-R183 HydrophobicContact CG2-CB 4.44Å; V174-R183 HydrophobicContact CG2-CG 4.26Å
175	I	97.8	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.8	-179.5	-52.3	-47.4	0	0	0	108.2	W123 V126 E130 P140 K141 L142 W173 E181 V182 Y184	W123-I175 HydrophobicContact CZ3-CD1 3.78Å; V126-I175 HydrophobicContact CG1-CD1 4.01Å; V126-I175 HydrophobicContact CG1-CG1 3.77Å; E130-I175 HydrophobicContact CG-CG2 4.46Å; P140-I175 HydrophobicContact CB-CG2 3.8Å; K141-I175 CarbonylContact O-C 3.59Å; K141-I175 WeakPolarHBondContact O-CA 3.19Å; K141-I175 WeakPolarHBondContact O-CG2 3.2Å; L142-I175 HydrophobicContact CB-CD1 4.49Å; L142-I175 HydrophobicContact CD1-CD1 3.66Å; W173-I175 HydrophobicContact CB-CD1 4.29Å; W173-I175 HydrophobicContact CE3-CD1 4.44Å; I175-E181 CarbonylContact O-C 3.44Å; I175-E181 WeakPolarHBondContact O-CA 3.5Å; I175-V182 PolarHBondContact N-O 3.32Å; I175-V182 PolarHBondContact O-N 3.3Å; I175-Y184 HydrophobicContact CB-CD2 4.44Å; I175-Y184 HydrophobicContact CB-CE2 4.41Å; I175-Y184 HydrophobicContact CG1-CD2 3.62Å; I175-Y184 HydrophobicContact CG1-CE2 3.9Å
176	D	97.1	Very high	94.5	Very high	17 Å²	17	31 Å²	31	9%	0.091	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	103.7	166.5	-175.1	8.3	0	0	0	109.2	A71 P140 K141 R143 C178 G179	A71-D176 HydrophobicContact CB-CB 3.64Å; P140-D176 WeakPolarHBondContact CA-O 3.5Å; K141-D176 PolarHBondContact N-O 2.72Å; K141-D176 PolarHBondContact O-N 3.05Å; R143-D176 HydrophobicContact CB-CB 4.27Å; R143-D176 IonicContact CZ-OD2 3.49Å; R143-D176 IonicContact NE-OD2 3.57Å; R143-D176 IonicContact NH2-OD2 3.61Å; R143-D176 PolarHBondContact NH2-OD2 3.4Å; D176-C178 PolarHBondContact O-N 3.49Å; D176-C178 PolarHBondContact OD1-N 3.04Å; D176-G179 WeakPolarHBondContact OD1-CA 3.32Å; D176-G179 PolarHBondContact OD1-N 2.99Å
177	R	96.3	Very high	94.8	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.038	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	76.8	171.3	-172.8	-166.3	-60	174.1	-2.3	108.5	E130 H133 E136 C137 G179 K180 V182	E130-R177 IonicContact OE1-CZ 3.55Å; E130-R177 IonicContact OE1-NE 2.77Å; E130-R177 IonicContact OE1-NH2 2.65Å; E130-R177 PolarHBondContact OE1-NH2 2.72Å; E130-R177 WeakPolarHBondContact OE2-CG 3.16Å; E130-R177 IonicContact OE2-CZ 3.78Å; E130-R177 IonicContact OE2-NE 3.92Å; E130-R177 PolarHBondContact OE2-NE 3.39Å; E130-R177 IonicContact OE2-NH2 3.08Å; E130-R177 PolarHBondContact OE2-NH2 3.44Å; H133-R177 PolarHBondContact CD2-NH1 2.86Å; H133-R177 VanDerWaalsContact CD2-NH1 3.34Å; H133-R177 PolarHBondContact CD2-NH2 2.87Å; H133-R177 PolarHBondContact CE1-NH1 3.33Å; H133-R177 PolarHBondContact ND1-NH1 3.03Å; H133-R177 PolarHBondContact NE2-NH2 2.66Å; E136-R177 VanDerWaalsContact OE2-CD 3.25Å; E136-R177 WeakPolarHBondContact OE2-CD 3.39Å; E136-R177 IonicContact OE2-CZ 3.69Å; E136-R177 IonicContact OE2-NH1 3.65Å; E136-R177 PolarHBondContact OE2-NH1 2.9Å; C137-R177 HydrophobicContact CB-CB 4.5Å; C137-R177 HydrophobicContact CB-CG 3.43Å; C137-R177 VanDerWaalsContact CB-CG 3.43Å; R177-G179 VanDerWaalsContact C-N 3.31Å; R177-G179 PolarHBondContact O-N 3.2Å; R177-K180 HydrophobicContact CB-CB 4.4Å; R177-K180 PolarHBondContact N-O 3.2Å; R177-K180 PolarHBondContact O-N 3.41Å; R177-K180 VanDerWaalsContact O-N 3.09Å; R177-V182 HydrophobicContact CB-CG2 4.46Å
178	C	94.7	Very high	94.8	Very high	82 Å²	82	28.9 Å²	28.9	55%	0.554	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.4	175	-65.2	0	0	0	0	113.6	C137 D176	C137-C178 VanDerWaalsContact CA-SG 3.56Å; C137-C178 HydrophobicContact CB-CB 3.66Å; C137-C178 WeakPolarHBondContact CB-SG 3.49Å; C137-C178 WeakPolarHBondContact SG-CB 3.27Å; C137-C178 PolarHBondContact SG-N 3.38Å; C137-C178 CovalentContact SG-SG 2.04Å; C137-C178 PolarHBondContact SG-SG 2.93Å; D176-C178 PolarHBondContact O-N 3.49Å; D176-C178 PolarHBondContact OD1-N 3.04Å
179	G	93.9	Very high	94.9	Very high	67 Å²	67	27.8 Å²	27.8	69%	0.691	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	106	-13	-179.3	0	0	0	0	0	114.2	D176 R177	D176-G179 WeakPolarHBondContact OD1-CA 3.32Å; D176-G179 PolarHBondContact OD1-N 2.99Å; R177-G179 VanDerWaalsContact C-N 3.31Å; R177-G179 PolarHBondContact O-N 3.2Å
180	K	95.4	Very high	94.6	Very high	100 Å²	100	28.7 Å²	28.7	44%	0.435	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.3	177	-176	-178	179.7	-176.3	0	110.7	R177 V182	R177-K180 HydrophobicContact CB-CB 4.4Å; R177-K180 PolarHBondContact N-O 3.2Å; R177-K180 PolarHBondContact O-N 3.41Å; R177-K180 VanDerWaalsContact O-N 3.09Å; K180-V182 HydrophobicContact CD-CG2 4.42Å; K180-V182 HydrophobicContact CG-CG2 4.24Å
181	E	96.6	Very high	93.8	Very high	94 Å²	94	29.7 Å²	29.7	44%	0.439	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	124.9	174.1	-66.4	-166.3	-178.9	0	0	111.4	R143 R144 V174 I175	R143-E181 WeakPolarHBondContact CD-OE1 3.13Å; R143-E181 IonicContact NE-OE1 3.72Å; R143-E181 PolarHBondContact NE-OE1 3.13Å; R144-E181 IonicContact CZ-OE2 3.37Å; R144-E181 IonicContact NE-OE2 2.76Å; R144-E181 IonicContact NH2-OE1 3.82Å; R144-E181 IonicContact NH2-OE2 3.55Å; R144-E181 PolarHBondContact NH2-OE2 3.12Å; V174-E181 HydrophobicContact CG1-CB 3.83Å; V174-E181 HydrophobicContact CG1-CG 4.11Å; I175-E181 CarbonylContact O-C 3.44Å; I175-E181 WeakPolarHBondContact O-CA 3.5Å
182	V	97.2	Very high	92.9	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.7	176.5	-175	0	0	0	0	108.8	I175 R177 K180 Y184	I175-V182 PolarHBondContact N-O 3.32Å; I175-V182 PolarHBondContact O-N 3.3Å; R177-V182 HydrophobicContact CB-CG2 4.46Å; K180-V182 HydrophobicContact CD-CG2 4.42Å; K180-V182 HydrophobicContact CG-CG2 4.24Å; V182-Y184 HydrophobicContact CB-CE2 4.32Å; V182-Y184 HydrophobicContact CG1-CD2 4.26Å; V182-Y184 HydrophobicContact CG1-CE2 3.76Å
183	R	97.5	Very high	91.5	Very high	81 Å²	81	34.2 Å²	34.2	31%	0.306	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.8	178.8	-170.6	170.7	55.7	100.5	1.2	110.8	D172 W173 V174 P207 A208 D210	D172-R183 IonicContact OD2-CZ 2.85Å; D172-R183 IonicContact OD2-NH1 3.76Å; D172-R183 PolarHBondContact OD2-NH1 3.49Å; W173-R183 CarbonylContact O-C 3.51Å; W173-R183 VanDerWaalsContact O-CA 3.3Å; W173-R183 WeakPolarHBondContact O-CA 2.76Å; V174-R183 HydrophobicContact CG2-CB 4.44Å; V174-R183 HydrophobicContact CG2-CG 4.26Å; R183-P207 CarbonylContact O-C 3.51Å; R183-A208 HydrophobicContact CB-CB 4.04Å; R183-A208 HydrophobicContact CG-CB 4.13Å; R183-A208 VanDerWaalsContact CZ-CB 3.49Å; R183-A208 WeakPolarHBondContact O-CB 3.33Å; R183-A208 PolarHBondContact O-N 2.74Å; R183-D210 IonicContact CZ-OD2 2.79Å; R183-D210 VanDerWaalsContact CZ-OD2 3.26Å; R183-D210 IonicContact NE-OD2 3.34Å; R183-D210 PolarHBondContact NE-OD2 3.33Å; R183-D210 IonicContact NH2-OD2 2.85Å; R183-D210 PolarHBondContact NH2-OD2 3.26Å
184	Y	97.8	Very high	89.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.8	175.4	-81.9	-102.4	0	0	0	109.7	V126 W129 E130 D172 W173 I175 V182 V205 R206 P207	V126-Y184 HydrophobicContact CG1-CE1 4.45Å; V126-Y184 HydrophobicContact CG1-CE2 4.32Å; V126-Y184 HydrophobicContact CG2-CD1 4.05Å; V126-Y184 HydrophobicContact CG2-CE1 4.48Å; V126-Y184 HydrophobicContact CG2-CG 4.25Å; W129-Y184 HydrophobicContact CB-CE1 3.65Å; W129-Y184 WeakPolarHBondContact CB-OH 3.33Å; W129-Y184 AromaticContact CG-CE1 3.86Å; W129-Y184 HydrophobicContact CG-CE1 3.86Å; E130-Y184 WeakPolarHBondContact OE1-CE2 3.27Å; E130-Y184 PolarHBondContact OE1-OH 3.07Å; D172-Y184 WeakPolarHBondContact CA-O 3.47Å; W173-Y184 PolarHBondContact N-O 2.62Å; W173-Y184 PolarHBondContact O-N 3.34Å; I175-Y184 HydrophobicContact CB-CD2 4.44Å; I175-Y184 HydrophobicContact CB-CE2 4.41Å; I175-Y184 HydrophobicContact CG1-CD2 3.62Å; I175-Y184 HydrophobicContact CG1-CE2 3.9Å; V182-Y184 HydrophobicContact CB-CE2 4.32Å; V182-Y184 HydrophobicContact CG1-CD2 4.26Å; V182-Y184 HydrophobicContact CG1-CE2 3.76Å; Y184-V205 HydrophobicContact CD1-CG1 4.16Å; Y184-R206 CarbonylContact C-O 3.58Å; Y184-R206 WeakPolarHBondContact CA-O 3.38Å; Y184-P207 HydrophobicContact CD1-CG 4.39Å; Y184-P207 HydrophobicContact CE1-CB 4.31Å; Y184-P207 HydrophobicContact CE1-CG 3.68Å
185	V	96.5	Very high	88	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.2	170.4	-178.3	0	0	0	0	107.7	R206 A208	V185-R206 PolarHBondContact N-O 2.88Å; V185-R206 PolarHBondContact O-N 3.4Å; V185-R206 VanDerWaalsContact O-N 3.08Å; V185-A208 HydrophobicContact CG2-CB 3.95Å
186	I	95.3	Very high	86.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.7	-178.1	-53.2	173.3	0	0	0	107.5	A122 R170 H171 W173 Y188 V205	A122-I186 HydrophobicContact CB-CD1 4.25Å; A122-I186 HydrophobicContact CB-CG2 4.22Å; R170-I186 WeakPolarHBondContact CA-O 3.26Å; H171-I186 HydrophobicContact CB-CB 4.46Å; H171-I186 PolarHBondContact N-O 2.87Å; H171-I186 PolarHBondContact O-N 2.92Å; W173-I186 HydrophobicContact CB-CD1 4.13Å; W173-I186 HydrophobicContact CD2-CD1 3.36Å; W173-I186 HydrophobicContact CE3-CD1 3.86Å; W173-I186 HydrophobicContact CG-CD1 3.48Å; W173-I186 VanDerWaalsContact CG-CD1 3.48Å; W173-I186 HydrophobicContact CZ2-CD1 4.19Å; W173-I186 HydrophobicContact CZ3-CD1 4.45Å; I186-Y188 HydrophobicContact CB-CE2 4.2Å; I186-Y188 HydrophobicContact CG2-CD2 4.07Å; I186-Y188 HydrophobicContact CG2-CE1 4.35Å; I186-Y188 HydrophobicContact CG2-CE2 3.4Å; I186-V205 HydrophobicContact CB-CG2 4.39Å; I186-V205 HydrophobicContact CG1-CG1 4.31Å; I186-V205 HydrophobicContact CG1-CG2 4.13Å; I186-V205 HydrophobicContact CG2-CG2 3.75Å
187	D	94.1	Very high	84.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	174.5	-68	-43.8	0	0	0	108.9	S153 P167 R170 Y189 D204 R206	S153-D187 PolarHBondContact OG-OD2 3.4Å; P167-D187 HydrophobicContact CB-CB 3.83Å; P167-D187 HydrophobicContact CG-CB 4.01Å; R170-D187 WeakPolarHBondContact CG-OD1 3.49Å; R170-D187 IonicContact NE-OD1 3.63Å; D187-Y189 HydrophobicContact CB-CD2 4.3Å; D187-Y189 HydrophobicContact CB-CE2 3.59Å; D187-D204 HydrophobicContact CB-CB 4.29Å; D187-D204 PolarHBondContact N-O 3.42Å; D187-D204 PolarHBondContact O-N 3.18Å; D187-R206 IonicContact OD2-CZ 2.95Å; D187-R206 IonicContact OD2-NH1 3.48Å; D187-R206 PolarHBondContact OD2-NH1 3.21Å; D187-R206 IonicContact OD2-NH2 3.86Å; D187-R206 PolarHBondContact OD2-NH2 3.11Å
188	Y	90.6	Very high	82.6	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.5	177	-61.8	-99.7	0	0	0	109.6	N118 P167 F168 D169 H171 I186 A201 L203	N118-Y188 HydrophobicContact CB-CE1 4.04Å; P167-Y188 CarbonylContact C-O 3.47Å; P167-Y188 WeakPolarHBondContact CA-O 3.4Å; P167-Y188 WeakPolarHBondContact CB-O 3.35Å; F168-Y188 VanDerWaalsContact CD1-O 3.23Å; F168-Y188 WeakPolarHBondContact CD1-O 3.32Å; F168-Y188 WeakPolarHBondContact CE1-O 3.45Å; F168-Y188 HydrophobicContact CZ-CG 4.48Å; F168-Y188 PolarHBondContact N-O 2.89Å; D169-Y188 HydrophobicContact CB-CD2 4.1Å; D169-Y188 HydrophobicContact CB-CG 4.35Å; D169-Y188 WeakPolarHBondContact O-CD2 3.27Å; D169-Y188 PolarHBondContact O-N 2.95Å; H171-Y188 HydrophobicContact CB-CE2 4.35Å; H171-Y188 AromaticContact ND1-CE2 3.43Å; H171-Y188 WeakPolarHBondContact ND1-CE2 3.14Å; I186-Y188 HydrophobicContact CB-CE2 4.2Å; I186-Y188 HydrophobicContact CG2-CD2 4.07Å; I186-Y188 HydrophobicContact CG2-CE1 4.35Å; I186-Y188 HydrophobicContact CG2-CE2 3.4Å; Y188-A201 HydrophobicContact CD1-CB 4.23Å; Y188-L203 HydrophobicContact CD1-CD2 3.09Å; Y188-L203 HydrophobicContact CE1-CD2 3.17Å; Y188-L203 HydrophobicContact CG-CD2 3.97Å
189	Y	89	Confident	81.1	Confident	23 Å²	23	50.2 Å²	50.2	9%	0.09	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	155.9	178.8	-65.9	-87.9	0	0	0	111.1	R159 E165 P167 F168 D187 G191 A201 I202 D204	R159-Y189 PolarHBondContact NH1-OH 2.76Å; E165-Y189 WeakPolarHBondContact O-CE1 3.42Å; P167-Y189 HydrophobicContact CB-CD1 4.16Å; P167-Y189 HydrophobicContact CB-CE1 3.99Å; P167-Y189 HydrophobicContact CB-CE2 4.35Å; P167-Y189 HydrophobicContact CB-CG 4.42Å; P167-Y189 HydrophobicContact CG-CE1 4.3Å; F168-Y189 VanDerWaalsContact CE1-C 3.49Å; F168-Y189 WeakPolarHBondContact CE1-O 3.48Å; D187-Y189 HydrophobicContact CB-CD2 4.3Å; D187-Y189 HydrophobicContact CB-CE2 3.59Å; Y189-G191 PolarHBondContact O-N 3.04Å; Y189-A201 CarbonylContact O-C 3.39Å; Y189-A201 VanDerWaalsContact O-CA 3.25Å; Y189-A201 WeakPolarHBondContact O-CA 3.48Å; Y189-I202 PolarHBondContact N-O 2.85Å; Y189-I202 PolarHBondContact O-N 3.37Å; Y189-D204 HydrophobicContact CD2-CB 4.32Å; Y189-D204 HydrophobicContact CE2-CB 3.82Å
190	D	82.1	Confident	80	Confident	33 Å²	33	47.4 Å²	47.4	18%	0.176	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.9	175.4	-162.4	-52.9	0	0	0	111.9	K15 R19 G192	K15-D190 WeakPolarHBondContact CE-OD1 3.38Å; K15-D190 WeakPolarHBondContact CE-OD2 3.48Å; K15-D190 IonicContact NZ-OD1 2.76Å; K15-D190 PolarHBondContact NZ-OD1 3.25Å; K15-D190 IonicContact NZ-OD2 3.19Å; K15-D190 PolarHBondContact NZ-OD2 3.18Å; R19-D190 IonicContact CZ-OD2 3.03Å; R19-D190 IonicContact NE-OD2 2.66Å; R19-D190 PolarHBondContact NE-OD2 2.81Å; R19-D190 IonicContact NH2-OD1 3.94Å; R19-D190 IonicContact NH2-OD2 2.62Å; R19-D190 PolarHBondContact NH2-OD2 3.05Å; D190-G192 WeakPolarHBondContact OD1-CA 3.39Å; D190-G192 PolarHBondContact OD1-N 3.49Å
191	G	75.7	Confident	79.1	Confident	36 Å²	36	43.3 Å²	43.3	37%	0.371	24%	0.244	S	C	.	.			trans	-91.4	3.5	177.2	0	0	0	0	0	115.2	Y189 F200	Y189-G191 PolarHBondContact O-N 3.04Å; G191-F200 WeakPolarHBondContact CA-O 2.96Å; G191-F200 PolarHBondContact N-O 2.63Å
192	G	74.3	Confident	78.6	Confident	36 Å²	36	43.7 Å²	43.7	37%	0.371	25%	0.247	S	C	.	.	S	Bend	trans	89.3	-104	-178.8	0	0	0	0	0	112.2	K15 D190	K15-G192 PolarHBondContact NZ-O 2.62Å; D190-G192 WeakPolarHBondContact OD1-CA 3.39Å; D190-G192 PolarHBondContact OD1-N 3.49Å
193	S	65.2	Low	78.2	Confident	102 Å²	102	45 Å²	45	71%	0.713	25%	0.254	S	S	*	.	S	Bend	trans	-93.2	140	-175.8	55.8	0	0	0	0	111.4	N195	S193-N195 PolarHBondContact O-N 3.19Å
194	V	60	Low	78	Confident	37 Å²	37	42.1 Å²	42.1	22%	0.224	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.4	119.8	173.1	-174.5	0	0	0	0	107.7	V11 Y198 F200	V11-V194 HydrophobicContact CG1-CB 4.2Å; V11-V194 HydrophobicContact CG1-CG2 3.61Å; V194-Y198 HydrophobicContact CG1-CD1 4.48Å; V194-F200 HydrophobicContact CG2-CB 3.95Å
195	N	60.3	Low	77.9	Confident	68 Å²	68	42.6 Å²	42.6	36%	0.364	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-75.2	171.3	174.9	67.3	13.2	0	0	0	111.2	S193 A197 Y198 Q199	S193-N195 PolarHBondContact O-N 3.19Å; N195-A197 PolarHBondContact O-N 3.32Å; N195-A197 WeakPolarHBondContact OD1-CA 3.48Å; N195-A197 WeakPolarHBondContact OD1-CB 2.7Å; N195-A197 PolarHBondContact OD1-N 3.07Å; N195-A197 VanDerWaalsContact OD1-N 3.12Å; N195-Y198 PolarHBondContact O-N 3.45Å; N195-Y198 PolarHBondContact OD1-N 3.11Å; N195-Q199 PolarHBondContact N-O 2.66Å; N195-Q199 PolarHBondContact ND2-OE1 3.4Å; N195-Q199 WeakPolarHBondContact OD1-CA 3.34Å; N195-Q199 WeakPolarHBondContact OD1-CB 3.5Å; N195-Q199 PolarHBondContact OD1-N 3.24Å; N195-Q199 PolarHBondContact OD1-O 3Å
196	E	58.2	Low	77.9	Confident	158 Å²	158	42.7 Å²	42.7	74%	0.738	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.3	177.7	-66	178.5	-173.7	0	0	113.4	Y198 N238	E196-Y198 VanDerWaalsContact C-N 3.33Å; E196-N238 PolarHBondContact OE1-ND2 2.84Å
197	A	58.3	Low	78	Confident	52 Å²	52	42.7 Å²	42.7	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	15.5	177.1	0	0	0	0	0	113.5	N195 Q199	N195-A197 PolarHBondContact O-N 3.32Å; N195-A197 WeakPolarHBondContact OD1-CA 3.48Å; N195-A197 WeakPolarHBondContact OD1-CB 2.7Å; N195-A197 PolarHBondContact OD1-N 3.07Å; N195-A197 VanDerWaalsContact OD1-N 3.12Å; A197-Q199 HydrophobicContact CB-CG 4.04Å; A197-Q199 WeakPolarHBondContact O-CG 3.44Å; A197-Q199 PolarHBondContact O-N 3.08Å; A197-Q199 VanDerWaalsContact O-N 3.08Å
198	Y	62.9	Low	78.1	Confident	80 Å²	80	42.7 Å²	42.7	31%	0.314	25%	0.248	S	C	.	.			trans	58.2	20.5	-179.3	-69	-95.1	0	0	0	114.3	H113 I114 V194 N195 E196	H113-Y198 AromaticContact CD2-CD2 3.92Å; H113-Y198 AromaticContact CD2-CG 3.72Å; H113-Y198 AromaticContact NE2-CD2 3.97Å; I114-Y198 HydrophobicContact CD1-CD1 4.39Å; I114-Y198 HydrophobicContact CG1-CD1 4.08Å; V194-Y198 HydrophobicContact CG1-CD1 4.48Å; N195-Y198 PolarHBondContact O-N 3.45Å; N195-Y198 PolarHBondContact OD1-N 3.11Å; E196-Y198 VanDerWaalsContact C-N 3.33Å
199	Q	62.7	Low	78.3	Confident	68 Å²	68	47.5 Å²	47.5	32%	0.318	27%	0.273	S	S	.	.			trans	-88.8	120.1	175.8	-46.3	177.4	-20.8	0	0	108.4	V117 L121 N195 A197	V117-Q199 HydrophobicContact CG1-CG 4.11Å; L121-Q199 HydrophobicContact CD1-CB 4.37Å; L121-Q199 HydrophobicContact CD1-CG 3.9Å; N195-Q199 PolarHBondContact N-O 2.66Å; N195-Q199 PolarHBondContact ND2-OE1 3.4Å; N195-Q199 WeakPolarHBondContact OD1-CA 3.34Å; N195-Q199 WeakPolarHBondContact OD1-CB 3.5Å; N195-Q199 PolarHBondContact OD1-N 3.24Å; N195-Q199 PolarHBondContact OD1-O 3Å; A197-Q199 HydrophobicContact CB-CG 4.04Å; A197-Q199 WeakPolarHBondContact O-CG 3.44Å; A197-Q199 PolarHBondContact O-N 3.08Å; A197-Q199 VanDerWaalsContact O-N 3.08Å
200	F	70.3	Confident	78.5	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.039	29%	0.29	C	S	.	.			trans	-122.6	-16.9	179	78.2	-74.7	0	0	0	112	L18 I114 N118 F168 G191 V194	L18-F200 HydrophobicContact CB-CE2 4.03Å; L18-F200 HydrophobicContact CB-CZ 4.16Å; L18-F200 HydrophobicContact CD1-CD1 4.31Å; L18-F200 HydrophobicContact CD1-CD2 4.34Å; L18-F200 HydrophobicContact CD1-CE1 4Å; L18-F200 HydrophobicContact CD1-CE2 3.98Å; L18-F200 HydrophobicContact CD1-CG 4.48Å; L18-F200 HydrophobicContact CD1-CZ 3.79Å; L18-F200 HydrophobicContact CD2-CZ 4.09Å; L18-F200 HydrophobicContact CG-CE2 4.49Å; L18-F200 HydrophobicContact CG-CZ 4.25Å; I114-F200 HydrophobicContact CB-CE1 4.39Å; I114-F200 HydrophobicContact CG2-CD1 3.14Å; I114-F200 HydrophobicContact CG2-CE1 2.89Å; I114-F200 HydrophobicContact CG2-CG 4.29Å; I114-F200 HydrophobicContact CG2-CZ 3.88Å; N118-F200 WeakPolarHBondContact ND2-CE1 3.35Å; N118-F200 VanDerWaalsContact ND2-CZ 3.28Å; N118-F200 WeakPolarHBondContact ND2-CZ 3.14Å; F168-F200 AromaticContact CE1-CE2 3.85Å; F168-F200 HydrophobicContact CE1-CE2 3.85Å; F168-F200 HydrophobicContact CE1-CZ 4.49Å; F168-F200 AromaticContact CE2-CE2 3.98Å; F168-F200 HydrophobicContact CE2-CE2 3.98Å; F168-F200 HydrophobicContact CE2-CZ 4.06Å; F168-F200 HydrophobicContact CZ-CD2 4.39Å; F168-F200 AromaticContact CZ-CE2 3.34Å; F168-F200 HydrophobicContact CZ-CE2 3.34Å; F168-F200 AromaticContact CZ-CZ 3.59Å; F168-F200 HydrophobicContact CZ-CZ 3.59Å; G191-F200 WeakPolarHBondContact CA-O 2.96Å; G191-F200 PolarHBondContact N-O 2.63Å; V194-F200 HydrophobicContact CG2-CB 3.95Å
201	A	77.1	Confident	79.1	Confident	14 Å²	14	51.5 Å²	51.5	12%	0.116	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.9	-174.5	0	0	0	0	0	111.6	N118 F168 Y188 Y189 L203	N118-A201 WeakPolarHBondContact ND2-CB 3.47Å; F168-A201 HydrophobicContact CE1-CB 4.2Å; F168-A201 HydrophobicContact CZ-CB 3.98Å; Y188-A201 HydrophobicContact CD1-CB 4.23Å; Y189-A201 CarbonylContact O-C 3.39Å; Y189-A201 VanDerWaalsContact O-CA 3.25Å; Y189-A201 WeakPolarHBondContact O-CA 3.48Å; A201-L203 HydrophobicContact CB-CD2 4.39Å
202	I	84.8	Confident	80	Confident	101 Å²	101	57.3 Å²	57.3	52%	0.518	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.1	162.9	-63.5	167.9	0	0	0	107.2	Y189	Y189-I202 PolarHBondContact N-O 2.85Å; Y189-I202 PolarHBondContact O-N 3.37Å
203	L	90.5	Very high	81	Confident	38 Å²	38	57 Å²	57	20%	0.199	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.9	-177.3	-60.7	175.3	0	0	0	111.2	L121 A122 Y188 A201 V205	L121-L203 HydrophobicContact CB-CD1 3.43Å; L121-L203 VanDerWaalsContact CB-CD1 3.43Å; A122-L203 HydrophobicContact CB-CD1 4.29Å; Y188-L203 HydrophobicContact CD1-CD2 3.09Å; Y188-L203 HydrophobicContact CE1-CD2 3.17Å; Y188-L203 HydrophobicContact CG-CD2 3.97Å; A201-L203 HydrophobicContact CB-CD2 4.39Å; L203-V205 HydrophobicContact CB-CG2 4.22Å
204	D	92.7	Very high	82.4	Confident	19 Å²	19	52.3 Å²	52.3	10%	0.102	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	90	165.9	-169.3	-24.6	0	0	0	109	R155 R159 D187 Y189 R206	R155-D204 IonicContact CZ-OD2 2.79Å; R155-D204 IonicContact NE-OD1 2.66Å; R155-D204 IonicContact NE-OD2 3.32Å; R155-D204 PolarHBondContact NE-OD2 3.4Å; R155-D204 IonicContact NH2-OD2 3.99Å; R159-D204 IonicContact CZ-OD2 3.06Å; R159-D204 IonicContact NH1-OD2 3.78Å; R159-D204 PolarHBondContact NH1-OD2 2.77Å; R159-D204 IonicContact NH2-OD2 2.73Å; R159-D204 PolarHBondContact NH2-OD2 2.89Å; D187-D204 HydrophobicContact CB-CB 4.29Å; D187-D204 PolarHBondContact N-O 3.42Å; D187-D204 PolarHBondContact O-N 3.18Å; Y189-D204 HydrophobicContact CD2-CB 4.32Å; Y189-D204 HydrophobicContact CE2-CB 3.82Å; D204-R206 PolarHBondContact O-NH1 3.24Å; D204-R206 VanDerWaalsContact O-NH1 3.09Å; D204-R206 IonicContact OD1-CZ 3.71Å; D204-R206 IonicContact OD1-NE 2.72Å; D204-R206 IonicContact OD1-NH1 3.74Å; D204-R206 PolarHBondContact OD1-NH1 2.88Å; D204-R206 IonicContact OD2-NH1 2.76Å
205	V	96.1	Very high	84.1	Confident	10 Å²	10	55.5 Å²	55.5	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.3	-179.4	175.6	0	0	0	0	109.6	A122 E125 V126 W129 Y184 I186 L203	A122-V205 HydrophobicContact CB-CG2 4.37Å; E125-V205 HydrophobicContact CB-CB 3.7Å; E125-V205 HydrophobicContact CB-CG1 3.9Å; E125-V205 HydrophobicContact CB-CG2 3.79Å; E125-V205 HydrophobicContact CG-CB 4.47Å; E125-V205 HydrophobicContact CG-CG2 4.26Å; V126-V205 HydrophobicContact CG2-CG1 3.69Å; W129-V205 PolarHBondContact NE1-O 2.9Å; Y184-V205 HydrophobicContact CD1-CG1 4.16Å; I186-V205 HydrophobicContact CB-CG2 4.39Å; I186-V205 HydrophobicContact CG1-CG1 4.31Å; I186-V205 HydrophobicContact CG1-CG2 4.13Å; I186-V205 HydrophobicContact CG2-CG2 3.75Å; L203-V205 HydrophobicContact CB-CG2 4.22Å
206	R	96.6	Very high	85.9	Confident	9 Å²	9	59 Å²	59	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	149.8	-177.8	53.7	-169.6	-173	-75	-11.3	113.3	W129 S153 Y184 V185 D187 D204	W129-R206 HydrophobicContact CZ2-CB 3.97Å; S153-R206 PolarHBondContact OG-NH2 3.34Å; Y184-R206 CarbonylContact C-O 3.58Å; Y184-R206 WeakPolarHBondContact CA-O 3.38Å; V185-R206 PolarHBondContact N-O 2.88Å; V185-R206 PolarHBondContact O-N 3.4Å; V185-R206 VanDerWaalsContact O-N 3.08Å; D187-R206 IonicContact OD2-CZ 2.95Å; D187-R206 IonicContact OD2-NH1 3.48Å; D187-R206 PolarHBondContact OD2-NH1 3.21Å; D187-R206 IonicContact OD2-NH2 3.86Å; D187-R206 PolarHBondContact OD2-NH2 3.11Å; D204-R206 PolarHBondContact O-NH1 3.24Å; D204-R206 VanDerWaalsContact O-NH1 3.09Å; D204-R206 IonicContact OD1-CZ 3.71Å; D204-R206 IonicContact OD1-NE 2.72Å; D204-R206 IonicContact OD1-NH1 3.74Å; D204-R206 PolarHBondContact OD1-NH1 2.88Å; D204-R206 IonicContact OD2-NH1 2.76Å
207	P	97.6	Very high	87.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	138.5	171.5	-23.3	32.2	0	0	0	110.7	W129 R183 Y184 A214 D217 R218	W129-P207 VanDerWaalsContact CD2-CD 3.44Å; W129-P207 HydrophobicContact CD2-CG 3.99Å; W129-P207 VanDerWaalsContact CE3-CD 3.42Å; W129-P207 HydrophobicContact CE3-CG 3.63Å; W129-P207 HydrophobicContact CG-CG 4.41Å; W129-P207 HydrophobicContact CZ3-CG 4.06Å; R183-P207 CarbonylContact O-C 3.51Å; Y184-P207 HydrophobicContact CD1-CG 4.39Å; Y184-P207 HydrophobicContact CE1-CB 4.31Å; Y184-P207 HydrophobicContact CE1-CG 3.68Å; P207-A214 HydrophobicContact CB-CB 3.7Å; P207-D217 HydrophobicContact CG-CB 4.35Å; P207-R218 PolarHBondContact O-NE 3.36Å; P207-R218 PolarHBondContact O-NH2 2.74Å
208	A	96.2	Very high	89.6	Confident	1 Å²	1	52 Å²	52	1%	0.008	26%	0.255	C	S	.	.			trans	-70.1	144.6	177.4	0	0	0	0	0	111.1	R183 V185 D210 A214	R183-A208 HydrophobicContact CB-CB 4.04Å; R183-A208 HydrophobicContact CG-CB 4.13Å; R183-A208 VanDerWaalsContact CZ-CB 3.49Å; R183-A208 WeakPolarHBondContact O-CB 3.33Å; R183-A208 PolarHBondContact O-N 2.74Å; V185-A208 HydrophobicContact CG2-CB 3.95Å; A208-D210 PolarHBondContact O-N 3.35Å; A208-A214 WeakPolarHBondContact O-CB 3.41Å
209	L	94.8	Very high	91.2	Very high	103 Å²	103	50.9 Å²	50.9	54%	0.539	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	54.9	179.6	-71.9	176	0	0	0	111.9	F215	L209-F215 VanDerWaalsContact CD2-CA 3.5Å; L209-F215 HydrophobicContact CD2-CB 3.8Å; L209-F215 HydrophobicContact CD2-CD2 4.02Å; L209-F215 HydrophobicContact CD2-CG 4.42Å
210	D	93	Very high	92.7	Very high	86 Å²	86	50 Å²	50	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.9	174.4	51.1	18.5	0	0	0	113	R183 A208	R183-D210 IonicContact CZ-OD2 2.79Å; R183-D210 VanDerWaalsContact CZ-OD2 3.26Å; R183-D210 IonicContact NE-OD2 3.34Å; R183-D210 PolarHBondContact NE-OD2 3.33Å; R183-D210 IonicContact NH2-OD2 2.85Å; R183-D210 PolarHBondContact NH2-OD2 3.26Å; A208-D210 PolarHBondContact O-N 3.35Å
211	S	94.4	Very high	93.9	Very high	54 Å²	54	50.5 Å²	50.5	38%	0.378	26%	0.258	S	S	.	.	S	Bend	trans	-141.9	155.9	176	66.9	0	0	0	0	112.3	G213 A214 F215	S211-G213 VanDerWaalsContact C-N 3.29Å; S211-G213 PolarHBondContact O-N 3.13Å; S211-A214 PolarHBondContact O-N 2.75Å; S211-A214 WeakPolarHBondContact OG-CB 3.45Å; S211-A214 PolarHBondContact OG-N 3.18Å; S211-F215 PolarHBondContact O-N 3.13Å; S211-F215 VanDerWaalsContact O-N 3.11Å
212	F	94.3	Very high	94.7	Very high	158 Å²	158	52.7 Å²	52.7	69%	0.693	28%	0.275	S	S	*	.	H	α-helix	trans	-62.1	-37.8	174.7	-177.2	-99.2	0	0	0	112.1	A214 F215 W216	F212-A214 PolarHBondContact O-N 3.23Å; F212-F215 HydrophobicContact CE2-CD1 4.44Å; F212-F215 WeakPolarHBondContact O-CB 3.41Å; F212-F215 PolarHBondContact O-N 2.79Å; F212-W216 PolarHBondContact O-N 3.22Å
213	G	94.3	Very high	95.1	Very high	31 Å²	31	53.6 Å²	53.6	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-48.7	175.6	0	0	0	0	0	112	S211 F215 W216 D217	S211-G213 VanDerWaalsContact C-N 3.29Å; S211-G213 PolarHBondContact O-N 3.13Å; G213-F215 VanDerWaalsContact C-N 3.3Å; G213-F215 PolarHBondContact O-N 3.5Å; G213-W216 PolarHBondContact O-N 3.22Å; G213-W216 VanDerWaalsContact O-N 3.11Å; G213-D217 VanDerWaalsContact O-CG 3.24Å; G213-D217 PolarHBondContact O-N 2.93Å
214	A	95.6	Very high	95.2	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-33.4	177.7	0	0	0	0	0	113.3	P207 A208 S211 F212 R218	P207-A214 HydrophobicContact CB-CB 3.7Å; A208-A214 WeakPolarHBondContact O-CB 3.41Å; S211-A214 PolarHBondContact O-N 2.75Å; S211-A214 WeakPolarHBondContact OG-CB 3.45Å; S211-A214 PolarHBondContact OG-N 3.18Å; F212-A214 PolarHBondContact O-N 3.23Å; A214-R218 WeakPolarHBondContact O-CG 3.47Å; A214-R218 PolarHBondContact O-N 3.45Å
215	F	96.1	Very high	95	Very high	105 Å²	105	61.6 Å²	61.6	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-49	170.5	172.4	-98.1	0	0	0	111.4	L209 S211 F212 G213 D217 R218 V219	L209-F215 VanDerWaalsContact CD2-CA 3.5Å; L209-F215 HydrophobicContact CD2-CB 3.8Å; L209-F215 HydrophobicContact CD2-CD2 4.02Å; L209-F215 HydrophobicContact CD2-CG 4.42Å; S211-F215 PolarHBondContact O-N 3.13Å; S211-F215 VanDerWaalsContact O-N 3.11Å; F212-F215 HydrophobicContact CE2-CD1 4.44Å; F212-F215 WeakPolarHBondContact O-CB 3.41Å; F212-F215 PolarHBondContact O-N 2.79Å; G213-F215 VanDerWaalsContact C-N 3.3Å; G213-F215 PolarHBondContact O-N 3.5Å; F215-D217 PolarHBondContact O-N 2.84Å; F215-R218 PolarHBondContact O-N 2.85Å; F215-V219 HydrophobicContact CD1-CG2 4.37Å; F215-V219 HydrophobicContact CE1-CG2 3.88Å; F215-V219 HydrophobicContact CE2-CG2 4.17Å; F215-V219 HydrophobicContact CZ-CG2 3.77Å; F215-V219 WeakPolarHBondContact O-CG2 3.27Å; F215-V219 PolarHBondContact O-N 3.18Å
216	W	97.4	Very high	94.8	Very high	141 Å²	141	69.7 Å²	69.7	53%	0.534	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-42.5	-179.5	-171.9	-112.2	0	0	0	112.4	F212 G213 R218 V219 L220	F212-W216 PolarHBondContact O-N 3.22Å; G213-W216 PolarHBondContact O-N 3.22Å; G213-W216 VanDerWaalsContact O-N 3.11Å; W216-R218 VanDerWaalsContact C-N 3.29Å; W216-R218 PolarHBondContact O-N 3.32Å; W216-V219 HydrophobicContact CE3-CB 4.49Å; W216-V219 HydrophobicContact CE3-CG1 4.5Å; W216-V219 HydrophobicContact CZ3-CG1 4.32Å; W216-V219 PolarHBondContact O-N 3.48Å; W216-V219 VanDerWaalsContact O-N 3.12Å; W216-L220 WeakPolarHBondContact O-CB 3.19Å; W216-L220 PolarHBondContact O-N 2.84Å
217	D	97.2	Very high	94.5	Very high	7 Å²	7	76.9 Å²	76.9	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-55.1	-46.6	174.6	-68.4	-14.9	0	0	0	111.2	W129 L132 H133 P207 G213 F215 V219 L220 V221	W129-D217 HydrophobicContact CE3-CB 4.29Å; W129-D217 HydrophobicContact CZ3-CB 4.17Å; L132-D217 HydrophobicContact CD1-CB 4.19Å; H133-D217 IonicContact CD2-OD2 3.71Å; H133-D217 IonicContact CE1-OD1 3.98Å; H133-D217 PolarHBondContact CE1-OD1 3.13Å; H133-D217 IonicContact CE1-OD2 2.92Å; H133-D217 IonicContact NE2-OD1 3.94Å; H133-D217 PolarHBondContact NE2-OD1 3Å; H133-D217 IonicContact NE2-OD2 2.67Å; H133-D217 PolarHBondContact NE2-OD2 3.37Å; P207-D217 HydrophobicContact CG-CB 4.35Å; G213-D217 VanDerWaalsContact O-CG 3.24Å; G213-D217 PolarHBondContact O-N 2.93Å; F215-D217 PolarHBondContact O-N 2.84Å; D217-V219 PolarHBondContact O-N 3.09Å; D217-L220 PolarHBondContact O-N 3.41Å; D217-V221 WeakPolarHBondContact O-CG2 3.21Å; D217-V221 PolarHBondContact O-N 2.66Å
218	R	96.3	Very high	93.9	Very high	55 Å²	55	82 Å²	82	21%	0.208	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-40.3	178.5	-74.4	-174.8	178.4	-167.2	6.3	112.2	W129 P207 A214 F215 W216 A222	W129-R218 HydrophobicContact CH2-CG 3.99Å; W129-R218 HydrophobicContact CZ3-CG 4.18Å; P207-R218 PolarHBondContact O-NE 3.36Å; P207-R218 PolarHBondContact O-NH2 2.74Å; A214-R218 WeakPolarHBondContact O-CG 3.47Å; A214-R218 PolarHBondContact O-N 3.45Å; F215-R218 PolarHBondContact O-N 2.85Å; W216-R218 VanDerWaalsContact C-N 3.29Å; W216-R218 PolarHBondContact O-N 3.32Å; R218-A222 VanDerWaalsContact O-CB 3.22Å; R218-A222 WeakPolarHBondContact O-CB 3.3Å; R218-A222 PolarHBondContact O-N 2.61Å
219	V	96.3	Very high	93.1	Very high	58 Å²	58	87.2 Å²	87.2	35%	0.352	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-46.7	175.6	171.3	0	0	0	0	110.4	F215 W216 D217 A222 W223	F215-V219 HydrophobicContact CD1-CG2 4.37Å; F215-V219 HydrophobicContact CE1-CG2 3.88Å; F215-V219 HydrophobicContact CE2-CG2 4.17Å; F215-V219 HydrophobicContact CZ-CG2 3.77Å; F215-V219 WeakPolarHBondContact O-CG2 3.27Å; F215-V219 PolarHBondContact O-N 3.18Å; W216-V219 HydrophobicContact CE3-CB 4.49Å; W216-V219 HydrophobicContact CE3-CG1 4.5Å; W216-V219 HydrophobicContact CZ3-CG1 4.32Å; W216-V219 PolarHBondContact O-N 3.48Å; W216-V219 VanDerWaalsContact O-N 3.12Å; D217-V219 PolarHBondContact O-N 3.09Å; V219-A222 PolarHBondContact O-N 3.39Å; V219-W223 WeakPolarHBondContact O-CB 3.33Å; V219-W223 PolarHBondContact O-N 2.85Å
220	L	96	Very high	92.2	Very high	48 Å²	48	89.4 Å²	89.4	25%	0.251	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-49.3	-179.7	-177.8	62.3	0	0	0	111.6	L132 W216 D217 A222 W223 M224	L132-L220 HydrophobicContact CD2-CD2 4Å; W216-L220 WeakPolarHBondContact O-CB 3.19Å; W216-L220 PolarHBondContact O-N 2.84Å; D217-L220 PolarHBondContact O-N 3.41Å; L220-A222 PolarHBondContact O-N 3.13Å; L220-W223 HydrophobicContact CD1-CE3 4.31Å; L220-W223 PolarHBondContact O-N 3.08Å; L220-M224 HydrophobicContact CD1-CE 3.88Å; L220-M224 HydrophobicContact CD2-CE 4.01Å; L220-M224 HydrophobicContact CG-CE 3.75Å; L220-M224 HydrophobicContact CG-SD 4.33Å; L220-M224 WeakPolarHBondContact O-CG 3.12Å; L220-M224 PolarHBondContact O-N 3.49Å
221	V	94.6	Very high	91.2	Very high	21 Å²	21	90.3 Å²	90.3	13%	0.127	45%	0.447	C	S	.	.	H	α-helix	trans	-65.6	-38.3	178.3	173.1	0	0	0	0	111.6	W129 L132 D217 W223 M224 R225	W129-V221 HydrophobicContact CE3-CG2 3.78Å; W129-V221 HydrophobicContact CH2-CB 3.72Å; W129-V221 HydrophobicContact CH2-CG1 3.86Å; W129-V221 HydrophobicContact CH2-CG2 3.91Å; W129-V221 HydrophobicContact CZ2-CG1 4.19Å; W129-V221 HydrophobicContact CZ3-CB 3.73Å; W129-V221 HydrophobicContact CZ3-CG1 4.26Å; W129-V221 HydrophobicContact CZ3-CG2 3.43Å; W129-V221 VanDerWaalsContact CZ3-CG2 3.43Å; L132-V221 HydrophobicContact CD1-CG2 3.73Å; D217-V221 WeakPolarHBondContact O-CG2 3.21Å; D217-V221 PolarHBondContact O-N 2.66Å; V221-W223 VanDerWaalsContact C-N 3.33Å; V221-W223 PolarHBondContact O-N 3.38Å; V221-M224 PolarHBondContact O-N 2.97Å; V221-R225 HydrophobicContact CG1-CG 4.42Å; V221-R225 WeakPolarHBondContact O-CB 3.47Å; V221-R225 VanDerWaalsContact O-CG 3.3Å; V221-R225 WeakPolarHBondContact O-CG 3.21Å; V221-R225 PolarHBondContact O-N 3.29Å
222	A	93.1	Very high	90	Very high	59 Å²	59	93.5 Å²	93.5	49%	0.488	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-43	174.6	0	0	0	0	0	111.5	R218 V219 L220 R225 F226	R218-A222 VanDerWaalsContact O-CB 3.22Å; R218-A222 WeakPolarHBondContact O-CB 3.3Å; R218-A222 PolarHBondContact O-N 2.61Å; V219-A222 PolarHBondContact O-N 3.39Å; L220-A222 PolarHBondContact O-N 3.13Å; A222-R225 PolarHBondContact O-N 2.64Å; A222-F226 PolarHBondContact O-N 2.66Å
223	W	94.1	Very high	88.7	Confident	120 Å²	120	95.5 Å²	95.5	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-41.2	176.3	177.8	88.2	0	0	0	112.6	V219 L220 V221 F226 R227	V219-W223 WeakPolarHBondContact O-CB 3.33Å; V219-W223 PolarHBondContact O-N 2.85Å; L220-W223 HydrophobicContact CD1-CE3 4.31Å; L220-W223 PolarHBondContact O-N 3.08Å; V221-W223 VanDerWaalsContact C-N 3.33Å; V221-W223 PolarHBondContact O-N 3.38Å; W223-F226 PolarHBondContact O-N 3.22Å; W223-R227 PolarHBondContact O-N 3.01Å; W223-R227 VanDerWaalsContact O-N 3.08Å
224	M	92.7	Very high	87	Confident	66 Å²	66	102.9 Å²	102.9	33%	0.325	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-47.3	174	-73.8	175	175.5	0	0	111.3	L132 L220 V221 F226 R227 I228	L132-M224 HydrophobicContact CD2-CE 4.31Å; L220-M224 HydrophobicContact CD1-CE 3.88Å; L220-M224 HydrophobicContact CD2-CE 4.01Å; L220-M224 HydrophobicContact CG-CE 3.75Å; L220-M224 HydrophobicContact CG-SD 4.33Å; L220-M224 WeakPolarHBondContact O-CG 3.12Å; L220-M224 PolarHBondContact O-N 3.49Å; V221-M224 PolarHBondContact O-N 2.97Å; M224-F226 VanDerWaalsContact C-N 3.25Å; M224-F226 PolarHBondContact O-N 3.49Å; M224-R227 PolarHBondContact O-N 3.07Å; M224-R227 VanDerWaalsContact O-N 3.14Å; M224-I228 HydrophobicContact CB-CD1 4.27Å; M224-I228 WeakPolarHBondContact O-CB 3.39Å; M224-I228 WeakPolarHBondContact O-CG1 3.3Å; M224-I228 PolarHBondContact O-N 3.41Å
225	R	89.3	Confident	84.7	Confident	159 Å²	159	106.9 Å²	106.9	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-63	-30.5	176.9	-71.8	176.4	-174.6	-173.5	2.5	113.2	V221 A222	V221-R225 HydrophobicContact CG1-CG 4.42Å; V221-R225 WeakPolarHBondContact O-CB 3.47Å; V221-R225 VanDerWaalsContact O-CG 3.3Å; V221-R225 WeakPolarHBondContact O-CG 3.21Å; V221-R225 PolarHBondContact O-N 3.29Å; A222-R225 PolarHBondContact O-N 2.64Å
226	F	90.2	Very high	82.7	Confident	180 Å²	180	108.4 Å²	108.4	79%	0.789	53%	0.527	S	S	*	.	H	α-helix	trans	-73.3	-32.2	175.7	-179.9	-101.4	0	0	0	112.5	A222 W223 M224	A222-F226 PolarHBondContact O-N 2.66Å; W223-F226 PolarHBondContact O-N 3.22Å; M224-F226 VanDerWaalsContact C-N 3.25Å; M224-F226 PolarHBondContact O-N 3.49Å
227	R	90.6	Very high	80.7	Confident	160 Å²	160	105.5 Å²	105.5	60%	0.604	53%	0.528	S	S	*	.	H	α-helix	trans	-95.5	-31.5	-175.3	-71.8	-160.1	175.3	173.2	4.1	114.9	W223 M224	W223-R227 PolarHBondContact O-N 3.01Å; W223-R227 VanDerWaalsContact O-N 3.08Å; M224-R227 PolarHBondContact O-N 3.07Å; M224-R227 VanDerWaalsContact O-N 3.14Å
228	I	84.7	Confident	78.7	Confident	109 Å²	109	110.8 Å²	110.8	56%	0.559	56%	0.557	S	S	*	*	S	Bend	trans	-95.8	116.1	-175.8	-57.7	173.2	0	0	0	106.9	M224	M224-I228 HydrophobicContact CB-CD1 4.27Å; M224-I228 WeakPolarHBondContact O-CB 3.39Å; M224-I228 WeakPolarHBondContact O-CG1 3.3Å; M224-I228 PolarHBondContact O-N 3.41Å
229	P	79.3	Confident	76.4	Confident	110 Å²	110	111 Å²	111	71%	0.714	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-60.4	145.1	175.6	24	-31	0	0	0	109.9
230	D	76.4	Confident	74.6	Confident	148 Å²	148	114.2 Å²	114.2	79%	0.791	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-55.7	138.6	177.9	-74.4	-41.5	0	0	0	110.2
231	P	72.9	Confident	72.8	Confident	106 Å²	106	116.6 Å²	116.6	69%	0.688	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-59	147.2	173.2	26	-33	0	0	0	109.3	K233	P231-K233 PolarHBondContact O-N 3.01Å
232	P	69.6	Low	70.4	Confident	121 Å²	121	119.7 Å²	119.7	79%	0.786	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-55.3	137.8	177.8	22.8	-32.2	0	0	0	109.8	K234	P232-K234 PolarHBondContact O-N 3.31Å
233	K	66.7	Low	68.2	Low	199 Å²	199	120.8 Å²	120.8	87%	0.865	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54	131.3	177.1	-71.5	-177	179.6	179.7	0	108.6	P231 L235	P231-K233 PolarHBondContact O-N 3.01Å; K233-L235 PolarHBondContact O-N 3.41Å; K233-L235 VanDerWaalsContact O-N 3.15Å
234	K	58.6	Low	66	Low	186 Å²	186	122.4 Å²	122.4	81%	0.809	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-62.9	119.4	172.8	-69.3	-169.4	177.3	-170.2	0	107.7	P232 H236	P232-K234 PolarHBondContact O-N 3.31Å; K234-H236 PolarHBondContact O-CD2 3.33Å; K234-H236 PolarHBondContact O-N 3.45Å
235	L	46.2	Very low	64.3	Low	87 Å²	87	128.9 Å²	128.9	46%	0.455	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-61.7	117.8	174.4	-73.3	163	0	0	0	108.3	K233 D239 T241 F242	K233-L235 PolarHBondContact O-N 3.41Å; K233-L235 VanDerWaalsContact O-N 3.15Å; L235-D239 HydrophobicContact CD2-CB 4.1Å; L235-T241 WeakPolarHBondContact CD2-OG1 3.25Å; L235-F242 HydrophobicContact CB-CD2 3.81Å; L235-F242 HydrophobicContact CB-CE2 4.36Å
236	H	54	Low	62.5	Low	136 Å²	136	128.7 Å²	128.7	63%	0.63	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-83.1	152.6	171.2	-73.8	-94.2	0	0	0	108.8	K234 N238 D239 F242	K234-H236 PolarHBondContact O-CD2 3.33Å; K234-H236 PolarHBondContact O-N 3.45Å; H236-N238 PolarHBondContact O-N 3.07Å; H236-D239 WeakPolarHBondContact O-CB 3.42Å; H236-D239 PolarHBondContact O-N 3.25Å; H236-F242 VanDerWaalsContact O-CD2 3.25Å; H236-F242 WeakPolarHBondContact O-CD2 3.19Å
237	S	55.8	Low	60.5	Low	80 Å²	80	127.3 Å²	127.3	56%	0.559	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-20.5	178.8	54	0	0	0	0	114.1
238	N	55.4	Low	58.2	Low	119 Å²	119	125.1 Å²	125.1	64%	0.636	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1.6	179.4	-56.2	-20.8	0	0	0	112.8	E196 H236	E196-N238 PolarHBondContact OE1-ND2 2.84Å; H236-N238 PolarHBondContact O-N 3.07Å
239	D	48.8	Very low	56.4	Low	58 Å²	58	129 Å²	129	31%	0.31	70%	0.695	S	S	.	*	S	Bend	trans	-74.1	127.6	176	-161.6	-42.9	0	0	0	108.9	L235 H236 T241 F242	L235-D239 HydrophobicContact CD2-CB 4.1Å; H236-D239 WeakPolarHBondContact O-CB 3.42Å; H236-D239 PolarHBondContact O-N 3.25Å; D239-T241 VanDerWaalsContact CG-OG1 3.3Å; D239-T241 PolarHBondContact O-N 3.32Å; D239-T241 PolarHBondContact OD1-N 2.88Å; D239-T241 PolarHBondContact OD1-OG1 2.96Å; D239-F242 VanDerWaalsContact O-CB 3.22Å; D239-F242 WeakPolarHBondContact O-CB 3.25Å; D239-F242 PolarHBondContact O-N 3.05Å
240	P	58.8	Low	55.3	Low	127 Å²	127	130 Å²	130	83%	0.825	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-15.7	179.4	21.4	-33.2	0	0	0	114
241	T	57.1	Low	54.1	Low	97 Å²	97	129.1 Å²	129.1	60%	0.595	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-3.1	174.8	52.1	0	0	0	0	114.2	L235 D239	L235-T241 WeakPolarHBondContact CD2-OG1 3.25Å; D239-T241 VanDerWaalsContact CG-OG1 3.3Å; D239-T241 PolarHBondContact O-N 3.32Å; D239-T241 PolarHBondContact OD1-N 2.88Å; D239-T241 PolarHBondContact OD1-OG1 2.96Å
242	F	44	Very low	53.1	Low	86 Å²	86	130.3 Å²	130.3	38%	0.377	69%	0.689	S	S	.	*	S	Bend	trans	-73.7	123.3	175.4	-158.2	-84.6	0	0	0	109.8	L235 H236 D239 K244	L235-F242 HydrophobicContact CB-CD2 3.81Å; L235-F242 HydrophobicContact CB-CE2 4.36Å; H236-F242 VanDerWaalsContact O-CD2 3.25Å; H236-F242 WeakPolarHBondContact O-CD2 3.19Å; D239-F242 VanDerWaalsContact O-CB 3.22Å; D239-F242 WeakPolarHBondContact O-CB 3.25Å; D239-F242 PolarHBondContact O-N 3.05Å; F242-K244 PolarHBondContact O-N 3.1Å; F242-K244 VanDerWaalsContact O-N 3.14Å
243	P	46.4	Very low	52.1	Low	82 Å²	82	130.9 Å²	130.9	53%	0.532	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-60.8	121.9	-177.8	22.6	-31	0	0	0	109.9
244	K	49.5	Very low	51.2	Low	154 Å²	154	126.6 Å²	126.6	67%	0.67	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-69	139.7	178.4	-67.6	-179.7	-177.1	174.1	0	108.1	F242 N246 E247	F242-K244 PolarHBondContact O-N 3.1Å; F242-K244 VanDerWaalsContact O-N 3.14Å; K244-N246 PolarHBondContact O-N 3.31Å; K244-E247 PolarHBondContact O-N 3.42Å
245	K	55.6	Low	50.7	Low	202 Å²	202	122.7 Å²	122.7	88%	0.878	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-13.1	-176.7	-83.7	-175.9	174.2	-178.6	0	115.7
246	N	52.3	Low	51.1	Low	156 Å²	156	125.2 Å²	125.2	83%	0.834	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	8.3	-179.6	-60.4	-2.2	0	0	0	113.8	K244	K244-N246 PolarHBondContact O-N 3.31Å
247	E	47.8	Very low	50.8	Low	150 Å²	150	124.4 Å²	124.4	70%	0.701	68%	0.681	S	S	*	*			trans	-113	12.9	178.4	-71.5	-179.5	175	0	0	113.6	K244	K244-E247 PolarHBondContact O-N 3.42Å
248	V	43.2	Very low	50.4	Low	115 Å²	115	128.1 Å²	128.1	70%	0.697	69%	0.691	S	S	*	*			trans	-89.1	119.4	164.6	-171.7	0	0	0	0	107.1
249	P	46.1	Very low	50	Low	191 Å²	191	128.9 Å²	128.9	100%	1.24	70%	0.696	S	S	*	*			trans	-63.4	0	-172.7	25.3	-33.7	0	0	0	114

Retrieved 249 of 249 residues in 83.9 ms (Link to these results)

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