A0A077ZCA4_TRITR Loading...

Fork head domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 aa.

Structure Viewer

Loading PAE data...

(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	43	Very low	69.2	Low	241 Å²	241	115.5 Å²	115.5	100%	1.187	62%	0.621	S	S	*	*				0	112.6	0	-74	170.7	160.4	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 3.15Å
2	S	49.2	Very low	71	Confident	124 Å²	124	115.1 Å²	115.1	87%	0.867	63%	0.629	S	S	*	*			trans	-82	93.1	-179.7	-51.9	0	0	0	0	109.3	N4	S2-N4 PolarHBondContact O-N 3.44Å
3	S	56.4	Low	72.6	Confident	115 Å²	115	111.9 Å²	111.9	80%	0.804	60%	0.603	S	S	*	*			trans	-64.3	131	176	37.5	0	0	0	0	110.5	M1 S5	M1-S3 PolarHBondContact O-N 3.15Å; S3-S5 PolarHBondContact O-N 3.18Å
4	N	55.8	Low	74.1	Confident	110 Å²	110	106.9 Å²	106.9	59%	0.588	58%	0.58	S	S	*	*			trans	-64.8	107.3	-173.3	-67.5	-50.1	0	0	0	111.2	S2 L6 D7	S2-N4 PolarHBondContact O-N 3.44Å; N4-L6 PolarHBondContact O-N 3.38Å; N4-D7 WeakPolarHBondContact CB-OD2 3.47Å; N4-D7 PolarHBondContact O-N 2.82Å
5	S	64.2	Low	75.6	Confident	80 Å²	80	102.9 Å²	102.9	56%	0.559	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-1.8	175	63	0	0	0	0	114.6	S3 R9	S3-S5 PolarHBondContact O-N 3.18Å; S5-R9 WeakPolarHBondContact O-CG 3.48Å
6	L	66.5	Low	76.7	Confident	122 Å²	122	98.8 Å²	98.8	64%	0.639	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-30	172.7	-60.7	178.7	0	0	0	112.5	N4 D8 R9	N4-L6 PolarHBondContact O-N 3.38Å; L6-D8 VanDerWaalsContact C-N 3.29Å; L6-D8 PolarHBondContact O-N 2.91Å; L6-R9 PolarHBondContact O-N 3.03Å
7	D	72.1	Confident	77.7	Confident	70 Å²	70	92.9 Å²	92.9	37%	0.374	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-27	-175.5	-71.1	-36	0	0	0	112.7	N4 P45 F46	N4-D7 WeakPolarHBondContact CB-OD2 3.47Å; N4-D7 PolarHBondContact O-N 2.82Å; D7-P45 HydrophobicContact CB-CB 4.26Å; D7-P45 HydrophobicContact CB-CG 4.39Å; D7-F46 WeakPolarHBondContact O-CA 3.37Å; D7-F46 WeakPolarHBondContact O-CB 3.37Å; D7-F46 PolarHBondContact O-N 2.9Å; D7-F46 VanDerWaalsContact O-N 3.09Å
8	D	80.5	Confident	78.7	Confident	97 Å²	97	87.8 Å²	87.8	52%	0.519	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.1	175.6	-79.3	-40.1	0	0	0	114.2	L6 F46 K49	L6-D8 VanDerWaalsContact C-N 3.29Å; L6-D8 PolarHBondContact O-N 2.91Å; D8-F46 VanDerWaalsContact O-CD2 3.3Å; D8-F46 WeakPolarHBondContact O-CD2 3.3Å; D8-K49 IonicContact OD1-NZ 3.97Å; D8-K49 PolarHBondContact OD1-NZ 3.45Å; D8-K49 IonicContact OD2-NZ 2.72Å
9	R	88.9	Confident	79.6	Confident	168 Å²	168	83.2 Å²	83.2	63%	0.634	45%	0.447	S	S	*	.	S	Bend	trans	-89.7	128.8	178.7	-69.5	-179.2	-176.7	-163.5	-1.4	110.4	S5 L6 P11	S5-R9 WeakPolarHBondContact O-CG 3.48Å; L6-R9 PolarHBondContact O-N 3.03Å; R9-P11 VanDerWaalsContact O-CD 3.3Å; R9-P11 WeakPolarHBondContact O-CD 3.3Å
10	K	92.2	Very high	80.3	Confident	128 Å²	128	79.3 Å²	79.3	56%	0.557	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-55.5	120.5	175	-175.6	171.9	-179.5	175.9	0	110.3	F46	K10-F46 HydrophobicContact CB-CD1 4.29Å; K10-F46 HydrophobicContact CB-CD2 4.35Å; K10-F46 HydrophobicContact CB-CE1 3.79Å; K10-F46 HydrophobicContact CB-CE2 3.86Å; K10-F46 HydrophobicContact CB-CZ 3.56Å; K10-F46 HydrophobicContact CD-CE1 4.16Å; K10-F46 HydrophobicContact CD-CZ 4.19Å; K10-F46 HydrophobicContact CG-CD1 4.26Å; K10-F46 HydrophobicContact CG-CE1 3.67Å; K10-F46 HydrophobicContact CG-CZ 3.88Å
11	P	92.3	Very high	81	Confident	16 Å²	16	76.4 Å²	76.4	10%	0.104	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60	146.1	179.5	-25	33.7	0	0	0	112.2	R9 Y13 F44 Y47	R9-P11 VanDerWaalsContact O-CD 3.3Å; R9-P11 WeakPolarHBondContact O-CD 3.3Å; P11-Y13 HydrophobicContact CB-CD2 3.77Å; P11-Y13 HydrophobicContact CB-CE2 4.39Å; P11-Y13 PolarHBondContact O-N 3.03Å; P11-F44 HydrophobicContact CB-CD1 3.93Å; P11-F44 HydrophobicContact CB-CE1 4.05Å; P11-F44 HydrophobicContact CB-CG 4.38Å; P11-F44 HydrophobicContact CG-CB 3.82Å; P11-F44 HydrophobicContact CG-CD1 3.42Å; P11-F44 VanDerWaalsContact CG-CD1 3.42Å; P11-F44 HydrophobicContact CG-CD2 4.47Å; P11-F44 HydrophobicContact CG-CE1 4.07Å; P11-F44 HydrophobicContact CG-CG 3.65Å; P11-Y47 HydrophobicContact CG-CE2 4.04Å
12	P	90.8	Very high	83.6	Confident	110 Å²	110	64.9 Å²	64.9	71%	0.714	36%	0.355	S	S	*	.	S	Bend	trans	-74.8	32.6	-178.6	33.1	-37.5	0	0	0	113.6
13	Y	92.4	Very high	85.8	Confident	74 Å²	74	59 Å²	59	29%	0.29	31%	0.313	S	S	.	.			trans	-112.9	137	-177.2	-59.2	-57.2	0	0	0	111.3	P11 L18 M21 F44 L99	P11-Y13 HydrophobicContact CB-CD2 3.77Å; P11-Y13 HydrophobicContact CB-CE2 4.39Å; P11-Y13 PolarHBondContact O-N 3.03Å; Y13-L18 HydrophobicContact CD2-CD2 4.36Å; Y13-M21 HydrophobicContact CD1-CE 4.3Å; Y13-M21 HydrophobicContact CD2-CE 3.85Å; Y13-M21 HydrophobicContact CE2-CE 4.21Å; Y13-M21 HydrophobicContact CG-CE 3.9Å; Y13-F44 HydrophobicContact CD2-CE1 4.07Å; Y13-F44 HydrophobicContact CD2-CE2 4.3Å; Y13-F44 AromaticContact CD2-CZ 3.62Å; Y13-F44 HydrophobicContact CD2-CZ 3.62Å; Y13-F44 AromaticContact CE2-CE1 3.87Å; Y13-F44 HydrophobicContact CE2-CE1 3.87Å; Y13-F44 AromaticContact CE2-CZ 3.59Å; Y13-F44 HydrophobicContact CE2-CZ 3.59Å; Y13-L99 HydrophobicContact CD1-CB 3.67Å; Y13-L99 HydrophobicContact CD1-CD1 4.37Å; Y13-L99 HydrophobicContact CE1-CB 3.62Å; Y13-L99 HydrophobicContact CE1-CD1 3.84Å; Y13-L99 HydrophobicContact CE1-CG 4.41Å
14	S	93.8	Very high	87.5	Confident	41 Å²	41	55.8 Å²	55.8	29%	0.287	29%	0.293	S	S	.	.			trans	-72	157.1	169.9	68.9	0	0	0	0	111.2	I16 A17 L18	S14-I16 PolarHBondContact O-N 3.19Å; S14-I16 VanDerWaalsContact O-N 3.15Å; S14-A17 WeakPolarHBondContact O-CA 3.33Å; S14-A17 WeakPolarHBondContact O-CB 3.46Å; S14-A17 PolarHBondContact O-N 3.12Å; S14-A17 PolarHBondContact OG-N 3.11Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.48Å
15	Y	95.6	Very high	89.4	Confident	47 Å²	47	53.9 Å²	53.9	18%	0.184	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-31.3	173.6	-65.4	-61.3	0	0	0	113.2	L18 T19 Y47 W54 S57 N61	Y15-L18 HydrophobicContact CD1-CD1 4.03Å; Y15-T19 WeakPolarHBondContact O-CB 3.48Å; Y15-T19 PolarHBondContact O-N 2.88Å; Y15-T19 PolarHBondContact O-OG1 3.38Å; Y15-Y47 HydrophobicContact CE1-CE1 4.13Å; Y15-W54 HydrophobicContact CE1-CB 4.21Å; Y15-S57 VanDerWaalsContact CE2-CB 3.41Å; Y15-N61 WeakPolarHBondContact CD2-ND2 3.39Å
16	I	93.8	Very high	90.9	Very high	37 Å²	37	50.5 Å²	50.5	19%	0.19	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-46.6	173.4	-55.3	177.6	0	0	0	110.2	S14 T19 A20 F68 F94	S14-I16 PolarHBondContact O-N 3.19Å; S14-I16 VanDerWaalsContact O-N 3.15Å; I16-T19 PolarHBondContact O-N 3.32Å; I16-A20 VanDerWaalsContact O-CB 3.32Å; I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 2.79Å; I16-F68 HydrophobicContact CB-CE2 4.39Å; I16-F68 HydrophobicContact CB-CZ 4.37Å; I16-F68 HydrophobicContact CG1-CE2 4.39Å; I16-F68 HydrophobicContact CG2-CE2 4Å; I16-F68 HydrophobicContact CG2-CZ 3.8Å; I16-F94 HydrophobicContact CG2-CE1 4.27Å; I16-F94 HydrophobicContact CG2-CZ 3.73Å
17	A	93.8	Very high	92.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-38.3	178	0	0	0	0	0	112.9	S14 A20 M21 L99	S14-A17 WeakPolarHBondContact O-CA 3.33Å; S14-A17 WeakPolarHBondContact O-CB 3.46Å; S14-A17 PolarHBondContact O-N 3.12Å; S14-A17 PolarHBondContact OG-N 3.11Å; A17-A20 PolarHBondContact O-N 2.62Å; A17-M21 WeakPolarHBondContact O-CG 3.48Å; A17-M21 PolarHBondContact O-N 2.98Å; A17-L99 HydrophobicContact CB-CB 4.17Å; A17-L99 HydrophobicContact CB-CD2 4.3Å; A17-L99 WeakPolarHBondContact CB-O 3.45Å
18	L	95.3	Very high	93.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-46.6	173.9	-68.2	173.9	0	0	0	111.6	Y13 S14 Y15 M21 A22 I40 F44 Y47	Y13-L18 HydrophobicContact CD2-CD2 4.36Å; S14-L18 WeakPolarHBondContact O-CG 3.43Å; S14-L18 PolarHBondContact O-N 3.48Å; Y15-L18 HydrophobicContact CD1-CD1 4.03Å; L18-M21 HydrophobicContact CD2-CE 3.92Å; L18-M21 PolarHBondContact O-N 2.84Å; L18-A22 PolarHBondContact O-N 3.47Å; L18-A22 VanDerWaalsContact O-N 3.11Å; L18-I40 HydrophobicContact CB-CD1 3.83Å; L18-I40 HydrophobicContact CB-CG1 4.14Å; L18-I40 HydrophobicContact CD1-CG2 4.48Å; L18-F44 HydrophobicContact CD2-CD2 3.69Å; L18-F44 HydrophobicContact CD2-CE2 3.43Å; L18-F44 VanDerWaalsContact CD2-CE2 3.43Å; L18-F44 HydrophobicContact CD2-CZ 4.31Å; L18-Y47 HydrophobicContact CD1-CE2 3.77Å; L18-Y47 HydrophobicContact CD2-CE2 4.49Å
19	T	96	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-42.2	177.4	-55	0	0	0	0	111.5	Y15 I16 M21 A22 I23 I36 L62 F68	Y15-T19 WeakPolarHBondContact O-CB 3.48Å; Y15-T19 PolarHBondContact O-N 2.88Å; Y15-T19 PolarHBondContact O-OG1 3.38Å; I16-T19 PolarHBondContact O-N 3.32Å; T19-M21 PolarHBondContact O-N 2.9Å; T19-A22 WeakPolarHBondContact O-CB 3.43Å; T19-A22 PolarHBondContact O-N 2.94Å; T19-I23 HydrophobicContact CG2-CD1 3.85Å; T19-I23 HydrophobicContact CG2-CG1 4.43Å; T19-I23 WeakPolarHBondContact O-CG1 3.18Å; T19-I23 PolarHBondContact O-N 3.22Å; T19-I36 HydrophobicContact CG2-CD1 4.22Å; T19-I36 HydrophobicContact CG2-CG2 4.33Å; T19-L62 HydrophobicContact CG2-CD2 3.72Å; T19-F68 HydrophobicContact CG2-CD1 3.92Å; T19-F68 HydrophobicContact CG2-CE1 3.42Å; T19-F68 VanDerWaalsContact CG2-CE1 3.42Å; T19-F68 HydrophobicContact CG2-CE2 4.34Å; T19-F68 HydrophobicContact CG2-CZ 3.66Å
20	A	94.5	Very high	94.3	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-41.8	176.4	0	0	0	0	0	112	I16 A17 A22 I23 A24 F94	I16-A20 VanDerWaalsContact O-CB 3.32Å; I16-A20 WeakPolarHBondContact O-CB 3.48Å; I16-A20 PolarHBondContact O-N 2.79Å; A17-A20 PolarHBondContact O-N 2.62Å; A20-A22 PolarHBondContact O-N 3.15Å; A20-I23 PolarHBondContact O-N 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.12Å; A20-F94 HydrophobicContact CB-CB 4.35Å; A20-F94 HydrophobicContact CB-CD1 3.78Å; A20-F94 HydrophobicContact CB-CD2 3.94Å; A20-F94 HydrophobicContact CB-CE1 3.98Å; A20-F94 HydrophobicContact CB-CE2 4.14Å; A20-F94 HydrophobicContact CB-CG 3.75Å; A20-F94 HydrophobicContact CB-CZ 4.16Å
21	M	94.8	Very high	94.5	Very high	19 Å²	19	44 Å²	44	9%	0.094	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-43.5	172.4	-80.6	-169.9	-81	0	0	112.6	Y13 A17 L18 T19 A24 S25 F39 F44 L99	Y13-M21 HydrophobicContact CD1-CE 4.3Å; Y13-M21 HydrophobicContact CD2-CE 3.85Å; Y13-M21 HydrophobicContact CE2-CE 4.21Å; Y13-M21 HydrophobicContact CG-CE 3.9Å; A17-M21 WeakPolarHBondContact O-CG 3.48Å; A17-M21 PolarHBondContact O-N 2.98Å; L18-M21 HydrophobicContact CD2-CE 3.92Å; L18-M21 PolarHBondContact O-N 2.84Å; T19-M21 PolarHBondContact O-N 2.9Å; M21-A24 PolarHBondContact O-N 2.8Å; M21-S25 WeakPolarHBondContact O-CB 3.48Å; M21-S25 PolarHBondContact O-N 2.94Å; M21-F39 HydrophobicContact CB-CE1 3.85Å; M21-F39 HydrophobicContact CB-CZ 4.1Å; M21-F44 HydrophobicContact CE-CE2 3.95Å; M21-F44 HydrophobicContact CE-CZ 4.02Å; M21-L99 HydrophobicContact CE-CD1 4.1Å; M21-L99 HydrophobicContact CG-CD1 3.85Å; M21-L99 HydrophobicContact CG-CD2 3.75Å; M21-L99 HydrophobicContact CG-CG 4.47Å; M21-L99 HydrophobicContact SD-CD1 3.55Å; M21-L99 VanDerWaalsContact SD-CD1 3.55Å; M21-L99 HydrophobicContact SD-CD2 4.49Å
22	A	96.6	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-53.1	178.5	0	0	0	0	0	110.8	L18 T19 A20 A24 S25 S26 L31 I36 F39	L18-A22 PolarHBondContact O-N 3.47Å; L18-A22 VanDerWaalsContact O-N 3.11Å; T19-A22 WeakPolarHBondContact O-CB 3.43Å; T19-A22 PolarHBondContact O-N 2.94Å; A20-A22 PolarHBondContact O-N 3.15Å; A22-A24 VanDerWaalsContact C-N 3.34Å; A22-A24 PolarHBondContact O-N 3.09Å; A22-S25 PolarHBondContact O-N 3.04Å; A22-S25 VanDerWaalsContact O-N 3.13Å; A22-S25 PolarHBondContact O-OG 3.48Å; A22-S26 PolarHBondContact O-N 3.5Å; A22-L31 HydrophobicContact CB-CD1 4.04Å; A22-L31 VanDerWaalsContact O-CD1 3.31Å; A22-L31 WeakPolarHBondContact O-CD1 3.21Å; A22-I36 HydrophobicContact CB-CG1 4.44Å; A22-I36 HydrophobicContact CB-CG2 4.37Å; A22-F39 HydrophobicContact CB-CB 3.99Å; A22-F39 HydrophobicContact CB-CD1 3.44Å; A22-F39 VanDerWaalsContact CB-CD1 3.44Å; A22-F39 HydrophobicContact CB-CD2 4.44Å; A22-F39 HydrophobicContact CB-CE1 3.98Å; A22-F39 HydrophobicContact CB-CG 3.7Å
23	I	95.5	Very high	95	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-43.8	179.2	-66.8	172.9	0	0	0	110.9	T19 A20 S25 S26 R29 F68 L86	T19-I23 HydrophobicContact CG2-CD1 3.85Å; T19-I23 HydrophobicContact CG2-CG1 4.43Å; T19-I23 WeakPolarHBondContact O-CG1 3.18Å; T19-I23 PolarHBondContact O-N 3.22Å; A20-I23 PolarHBondContact O-N 3.29Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.15Å; I23-S26 PolarHBondContact O-N 3.33Å; I23-S26 PolarHBondContact O-OG 3.45Å; I23-R29 WeakPolarHBondContact CG2-O 3.47Å; I23-F68 HydrophobicContact CD1-CD1 3.98Å; I23-F68 HydrophobicContact CD1-CE1 4.12Å; I23-L86 HydrophobicContact CG2-CB 4.32Å
24	A	93.3	Very high	95.3	Very high	46 Å²	46	40.2 Å²	40.2	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-31.6	177.7	0	0	0	0	0	113.1	A20 M21 A22 S26 R29	A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.12Å; M21-A24 PolarHBondContact O-N 2.8Å; A22-A24 VanDerWaalsContact C-N 3.34Å; A22-A24 PolarHBondContact O-N 3.09Å; A24-S26 VanDerWaalsContact C-N 3.29Å; A24-S26 PolarHBondContact O-N 3.36Å; A24-R29 PolarHBondContact O-NH1 3.09Å
25	S	94.3	Very high	95.5	Very high	70 Å²	70	42.1 Å²	42.1	49%	0.49	23%	0.233	S	C	.	.	H	α-helix	trans	-73.1	-17.7	176.6	76	0	0	0	0	114.4	M21 A22 I23 F39	M21-S25 WeakPolarHBondContact O-CB 3.48Å; M21-S25 PolarHBondContact O-N 2.94Å; A22-S25 PolarHBondContact O-N 3.04Å; A22-S25 VanDerWaalsContact O-N 3.13Å; A22-S25 PolarHBondContact O-OG 3.48Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 3.15Å; S25-F39 WeakPolarHBondContact OG-CD2 2.98Å; S25-F39 WeakPolarHBondContact OG-CE2 3.45Å
26	S	95.2	Very high	95.6	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.063	22%	0.224	C	C	.	.	S	Bend	trans	-81.2	139.3	179	72.7	0	0	0	0	111.5	A22 I23 A24 N28 R29 M30	A22-S26 PolarHBondContact O-N 3.5Å; I23-S26 PolarHBondContact O-N 3.33Å; I23-S26 PolarHBondContact O-OG 3.45Å; A24-S26 VanDerWaalsContact C-N 3.29Å; A24-S26 PolarHBondContact O-N 3.36Å; S26-N28 VanDerWaalsContact C-N 3.3Å; S26-N28 PolarHBondContact O-N 3Å; S26-R29 PolarHBondContact O-N 3.33Å; S26-R29 WeakPolarHBondContact OG-CA 3.37Å; S26-R29 PolarHBondContact OG-N 3.4Å; S26-M30 PolarHBondContact OG-N 3.18Å; S26-M30 PolarHBondContact OG-O 2.97Å
27	P	95.2	Very high	95.8	Very high	123 Å²	123	39.3 Å²	39.3	80%	0.799	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-39.4	179.2	24.4	-33.2	0	0	0	111.6	R29	P27-R29 PolarHBondContact O-N 3.43Å
28	N	94.1	Very high	96	Very high	120 Å²	120	42.9 Å²	42.9	64%	0.642	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	2.8	-178.1	-58.8	0.3	0	0	0	113.2	S26 M30	S26-N28 VanDerWaalsContact C-N 3.3Å; S26-N28 PolarHBondContact O-N 3Å; N28-M30 HydrophobicContact CB-CG 4.05Å; N28-M30 PolarHBondContact O-N 3.18Å
29	R	94.7	Very high	96.1	Very high	122 Å²	122	45 Å²	45	46%	0.46	25%	0.248	S	C	.	.	S	Bend	trans	48.5	32.9	-173.4	-50.8	-61.1	-164.8	165.3	12.4	113.6	I23 A24 S26 P27 T85 Y91	I23-R29 WeakPolarHBondContact CG2-O 3.47Å; A24-R29 PolarHBondContact O-NH1 3.09Å; S26-R29 PolarHBondContact O-N 3.33Å; S26-R29 WeakPolarHBondContact OG-CA 3.37Å; S26-R29 PolarHBondContact OG-N 3.4Å; P27-R29 PolarHBondContact O-N 3.43Å; R29-T85 WeakPolarHBondContact O-CB 3.14Å; R29-T85 PolarHBondContact O-OG1 2.87Å; R29-Y91 HydrophobicContact CB-CE1 4.23Å; R29-Y91 WeakPolarHBondContact CB-OH 3.39Å; R29-Y91 HydrophobicContact CG-CE1 4.49Å; R29-Y91 PolarHBondContact O-OH 3.06Å
30	M	95.2	Very high	96.2	Very high	59 Å²	59	45 Å²	45	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	143.4	176.1	68.6	-179.7	74	0	0	110.4	S26 N28 I71 Y83 W84	S26-M30 PolarHBondContact OG-N 3.18Å; S26-M30 PolarHBondContact OG-O 2.97Å; N28-M30 HydrophobicContact CB-CG 4.05Å; N28-M30 PolarHBondContact O-N 3.18Å; M30-I71 HydrophobicContact CE-CD1 4.21Å; M30-Y83 HydrophobicContact CG-CD1 4.17Å; M30-Y83 HydrophobicContact CG-CG 4.48Å; M30-Y83 HydrophobicContact SD-CD1 4.32Å; M30-Y83 HydrophobicContact SD-CG 4.15Å; M30-W84 VanDerWaalsContact CA-O 3.31Å; M30-W84 WeakPolarHBondContact CA-O 3.4Å
31	L	97.2	Very high	96.3	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.3	180	-73.3	179.4	0	0	0	111	A22 E35 I36 W84	A22-L31 HydrophobicContact CB-CD1 4.04Å; A22-L31 VanDerWaalsContact O-CD1 3.31Å; A22-L31 WeakPolarHBondContact O-CD1 3.21Å; L31-E35 HydrophobicContact CB-CB 4.2Å; L31-E35 HydrophobicContact CD1-CB 4.22Å; L31-E35 HydrophobicContact CD2-CB 3.85Å; L31-E35 HydrophobicContact CD2-CG 4.33Å; L31-E35 HydrophobicContact CG-CB 4.33Å; L31-I36 HydrophobicContact CB-CG1 3.96Å; L31-I36 HydrophobicContact CD1-CG1 4.4Å; L31-W84 PolarHBondContact N-O 3.49Å; L31-W84 PolarHBondContact O-N 3.36Å
32	P	97	Very high	96.4	Very high	17 Å²	17	54.8 Å²	54.8	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	162.2	166.1	34.7	-35.7	0	0	0	110.1	S34 E35 I36	P32-S34 PolarHBondContact O-N 3.39Å; P32-S34 VanDerWaalsContact O-N 3.15Å; P32-E35 HydrophobicContact CG-CB 4.31Å; P32-E35 HydrophobicContact CG-CG 3.85Å; P32-E35 PolarHBondContact O-N 3.2Å; P32-E35 VanDerWaalsContact O-N 3.09Å; P32-I36 PolarHBondContact O-N 2.89Å
33	L	97.7	Very high	96.3	Very high	47 Å²	47	60 Å²	60	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-56	-33.8	-175.9	-178	59.2	0	0	0	114	I36 Y37 L58 R59 L62	L33-I36 PolarHBondContact O-N 3.03Å; L33-Y37 HydrophobicContact CD1-CD1 4.3Å; L33-Y37 HydrophobicContact CD1-CE1 3.59Å; L33-Y37 HydrophobicContact CD1-CE2 4.34Å; L33-Y37 HydrophobicContact CD2-CE2 4.37Å; L33-Y37 HydrophobicContact CG-CE1 4.04Å; L33-Y37 HydrophobicContact CG-CE2 3.86Å; L33-Y37 PolarHBondContact O-N 3.48Å; L33-L58 HydrophobicContact CD1-CD2 3.92Å; L33-R59 HydrophobicContact CD1-CG 4.45Å; L33-R59 HydrophobicContact CD2-CG 4.06Å; L33-L62 HydrophobicContact CD1-CD1 3.53Å
34	S	97.3	Very high	96.3	Very high	56 Å²	56	61.4 Å²	61.4	39%	0.392	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-46	176.2	54.4	0	0	0	0	112.5	P32 I36 Y37 N38	P32-S34 PolarHBondContact O-N 3.39Å; P32-S34 VanDerWaalsContact O-N 3.15Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-I36 PolarHBondContact O-N 2.96Å; S34-Y37 WeakPolarHBondContact O-CB 3.4Å; S34-Y37 PolarHBondContact O-N 3.08Å; S34-Y37 VanDerWaalsContact O-N 3.16Å; S34-N38 VanDerWaalsContact O-CG 3.24Å; S34-N38 PolarHBondContact O-N 3.14Å; S34-N38 PolarHBondContact O-ND2 2.65Å; S34-N38 PolarHBondContact O-OD1 2.88Å
35	E	97.8	Very high	96.3	Very high	80 Å²	80	61.5 Å²	61.5	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-70.6	-30.5	-178.1	-64.5	-36.4	112.9	0	0	112.4	L31 P32 Y37 N38 F39	L31-E35 HydrophobicContact CB-CB 4.2Å; L31-E35 HydrophobicContact CD1-CB 4.22Å; L31-E35 HydrophobicContact CD2-CB 3.85Å; L31-E35 HydrophobicContact CD2-CG 4.33Å; L31-E35 HydrophobicContact CG-CB 4.33Å; P32-E35 HydrophobicContact CG-CB 4.31Å; P32-E35 HydrophobicContact CG-CG 3.85Å; P32-E35 PolarHBondContact O-N 3.2Å; P32-E35 VanDerWaalsContact O-N 3.09Å; E35-Y37 VanDerWaalsContact C-N 3.32Å; E35-N38 PolarHBondContact O-N 3.2Å; E35-N38 PolarHBondContact OE1-ND2 3Å; E35-N38 PolarHBondContact OE2-ND2 3.42Å; E35-F39 VanDerWaalsContact O-CB 3.24Å; E35-F39 WeakPolarHBondContact O-CB 3.23Å; E35-F39 PolarHBondContact O-N 3.02Å
36	I	98.2	Very high	96.4	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-41.8	172.1	-61.3	167.3	0	0	0	110.1	T19 A22 L31 P32 L33 S34 I40 L58 W84	T19-I36 HydrophobicContact CG2-CD1 4.22Å; T19-I36 HydrophobicContact CG2-CG2 4.33Å; A22-I36 HydrophobicContact CB-CG1 4.44Å; A22-I36 HydrophobicContact CB-CG2 4.37Å; L31-I36 HydrophobicContact CB-CG1 3.96Å; L31-I36 HydrophobicContact CD1-CG1 4.4Å; P32-I36 PolarHBondContact O-N 2.89Å; L33-I36 PolarHBondContact O-N 3.03Å; S34-I36 VanDerWaalsContact C-N 3.32Å; S34-I36 PolarHBondContact O-N 2.96Å; I36-I40 HydrophobicContact CG2-CD1 3.98Å; I36-I40 WeakPolarHBondContact O-CD1 3.5Å; I36-I40 VanDerWaalsContact O-CG1 3.26Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.41Å; I36-L58 HydrophobicContact CG2-CD1 3.92Å; I36-L58 HydrophobicContact CG2-CD2 4.03Å; I36-W84 HydrophobicContact CD1-CB 4.05Å; I36-W84 HydrophobicContact CD1-CG 4.45Å
37	Y	98.1	Very high	96.4	Very high	25 Å²	25	60.7 Å²	60.7	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-49.1	174.6	-57.9	-30.1	0	0	0	111.9	L33 S34 E35 F39 I40 M41 W54 Q55 L58 R59	L33-Y37 HydrophobicContact CD1-CD1 4.3Å; L33-Y37 HydrophobicContact CD1-CE1 3.59Å; L33-Y37 HydrophobicContact CD1-CE2 4.34Å; L33-Y37 HydrophobicContact CD2-CE2 4.37Å; L33-Y37 HydrophobicContact CG-CE1 4.04Å; L33-Y37 HydrophobicContact CG-CE2 3.86Å; L33-Y37 PolarHBondContact O-N 3.48Å; S34-Y37 WeakPolarHBondContact O-CB 3.4Å; S34-Y37 PolarHBondContact O-N 3.08Å; S34-Y37 VanDerWaalsContact O-N 3.16Å; E35-Y37 VanDerWaalsContact C-N 3.32Å; Y37-F39 VanDerWaalsContact C-N 3.35Å; Y37-F39 PolarHBondContact O-N 3.15Å; Y37-I40 PolarHBondContact O-N 2.81Å; Y37-M41 WeakPolarHBondContact O-CG 3.46Å; Y37-M41 PolarHBondContact O-N 2.83Å; Y37-W54 AromaticContact CD1-CH2 3.83Å; Y37-W54 HydrophobicContact CD1-CH2 3.83Å; Y37-W54 AromaticContact CD1-CZ3 3.75Å; Y37-W54 HydrophobicContact CD1-CZ3 3.75Å; Y37-W54 HydrophobicContact CE1-CZ3 4.33Å; Y37-W54 HydrophobicContact CG-CH2 4.17Å; Y37-Q55 HydrophobicContact CD1-CG 3.8Å; Y37-Q55 HydrophobicContact CD2-CG 4.35Å; Y37-Q55 HydrophobicContact CE1-CB 3.89Å; Y37-Q55 HydrophobicContact CE1-CG 3.56Å; Y37-Q55 VanDerWaalsContact CE2-CD 3.44Å; Y37-Q55 HydrophobicContact CE2-CG 4.14Å; Y37-Q55 VanDerWaalsContact CE2-OE1 3.28Å; Y37-Q55 HydrophobicContact CG-CG 4.18Å; Y37-L58 HydrophobicContact CE1-CD2 4.09Å; Y37-R59 WeakPolarHBondContact OH-CD 3.31Å; Y37-R59 WeakPolarHBondContact OH-CG 3.25Å; Y37-R59 PolarHBondContact OH-NH1 3.3Å
38	N	97.8	Very high	96.5	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-45.1	-179.3	-65.7	-17.9	0	0	0	111.5	S34 E35 I40 M41 K42	S34-N38 VanDerWaalsContact O-CG 3.24Å; S34-N38 PolarHBondContact O-N 3.14Å; S34-N38 PolarHBondContact O-ND2 2.65Å; S34-N38 PolarHBondContact O-OD1 2.88Å; E35-N38 PolarHBondContact O-N 3.2Å; E35-N38 PolarHBondContact OE1-ND2 3Å; E35-N38 PolarHBondContact OE2-ND2 3.42Å; N38-I40 PolarHBondContact O-N 2.72Å; N38-M41 PolarHBondContact O-N 3.04Å; N38-K42 WeakPolarHBondContact O-CB 3.4Å; N38-K42 PolarHBondContact O-N 3Å
39	F	98	Very high	96.4	Very high	44 Å²	44	60.4 Å²	60.4	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-46.9	176.6	178.4	-88.7	0	0	0	112.1	M21 A22 S25 E35 Y37 K42 K43	M21-F39 HydrophobicContact CB-CE1 3.85Å; M21-F39 HydrophobicContact CB-CZ 4.1Å; A22-F39 HydrophobicContact CB-CB 3.99Å; A22-F39 HydrophobicContact CB-CD1 3.44Å; A22-F39 VanDerWaalsContact CB-CD1 3.44Å; A22-F39 HydrophobicContact CB-CD2 4.44Å; A22-F39 HydrophobicContact CB-CE1 3.98Å; A22-F39 HydrophobicContact CB-CG 3.7Å; S25-F39 WeakPolarHBondContact OG-CD2 2.98Å; S25-F39 WeakPolarHBondContact OG-CE2 3.45Å; E35-F39 VanDerWaalsContact O-CB 3.24Å; E35-F39 WeakPolarHBondContact O-CB 3.23Å; E35-F39 PolarHBondContact O-N 3.02Å; Y37-F39 VanDerWaalsContact C-N 3.35Å; Y37-F39 PolarHBondContact O-N 3.15Å; F39-K42 PolarHBondContact O-N 2.89Å; F39-K43 HydrophobicContact CE1-CD 3.94Å; F39-K43 HydrophobicContact CZ-CD 3.79Å; F39-K43 VanDerWaalsContact O-CB 3.3Å; F39-K43 WeakPolarHBondContact O-CB 3.29Å; F39-K43 PolarHBondContact O-N 2.8Å
40	I	97.5	Very high	96.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-46.7	-178.1	-68.4	169	0	0	0	110.7	L18 I36 Y37 N38 K42 K43 F44 Y47 W54 L58	L18-I40 HydrophobicContact CB-CD1 3.83Å; L18-I40 HydrophobicContact CB-CG1 4.14Å; L18-I40 HydrophobicContact CD1-CG2 4.48Å; I36-I40 HydrophobicContact CG2-CD1 3.98Å; I36-I40 WeakPolarHBondContact O-CD1 3.5Å; I36-I40 VanDerWaalsContact O-CG1 3.26Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.41Å; Y37-I40 PolarHBondContact O-N 2.81Å; N38-I40 PolarHBondContact O-N 2.72Å; I40-K42 VanDerWaalsContact C-N 3.33Å; I40-K42 PolarHBondContact O-N 2.88Å; I40-K43 PolarHBondContact O-N 3.02Å; I40-F44 PolarHBondContact O-N 2.98Å; I40-Y47 HydrophobicContact CG2-CD2 3.44Å; I40-Y47 VanDerWaalsContact CG2-CD2 3.44Å; I40-Y47 HydrophobicContact CG2-CE2 4.11Å; I40-Y47 HydrophobicContact CG2-CG 3.72Å; I40-W54 HydrophobicContact CD1-CZ3 4.49Å; I40-W54 HydrophobicContact CG2-CZ3 4.49Å; I40-L58 HydrophobicContact CD1-CD1 3.3Å
41	M	96.6	Very high	96.4	Very high	42 Å²	42	59.9 Å²	59.9	21%	0.207	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-33.1	178.8	-68.2	-174.7	-60.1	0	0	113.1	Y37 N38 Q48 W54	Y37-M41 WeakPolarHBondContact O-CG 3.46Å; Y37-M41 PolarHBondContact O-N 2.83Å; N38-M41 PolarHBondContact O-N 3.04Å; M41-Q48 HydrophobicContact CB-CG 4.06Å; M41-Q48 HydrophobicContact CG-CG 4.45Å; M41-Q48 PolarHBondContact O-NE2 3.17Å; M41-W54 HydrophobicContact CG-CH2 4.15Å; M41-W54 HydrophobicContact CG-CZ2 3.69Å; M41-W54 HydrophobicContact SD-CZ2 3.92Å
42	K	96.4	Very high	96.4	Very high	189 Å²	189	65.3 Å²	65.3	82%	0.822	32%	0.319	S	S	*	.	H	α-helix	trans	-73.2	-39	175.6	-177.9	175.4	179.9	176.7	0	112.5	N38 F39 I40	N38-K42 WeakPolarHBondContact O-CB 3.4Å; N38-K42 PolarHBondContact O-N 3Å; F39-K42 PolarHBondContact O-N 2.89Å; I40-K42 VanDerWaalsContact C-N 3.33Å; I40-K42 PolarHBondContact O-N 2.88Å
43	K	95.4	Very high	96.4	Very high	109 Å²	109	73.5 Å²	73.5	47%	0.474	35%	0.347	S	S	.	.	H	α-helix	trans	-84	-26.9	-177.2	-169.4	168.4	-175.2	173.8	0	113.4	F39 I40	F39-K43 HydrophobicContact CE1-CD 3.94Å; F39-K43 HydrophobicContact CZ-CD 3.79Å; F39-K43 VanDerWaalsContact O-CB 3.3Å; F39-K43 WeakPolarHBondContact O-CB 3.29Å; F39-K43 PolarHBondContact O-N 2.8Å; I40-K43 PolarHBondContact O-N 3.02Å
44	F	94.9	Very high	96.4	Very high	31 Å²	31	71.7 Å²	71.7	14%	0.136	34%	0.338	C	S	.	.			trans	-138.8	91.5	-175	-58.7	-66.6	0	0	0	110	P11 Y13 L18 M21 I40 F46 Y47	P11-F44 HydrophobicContact CB-CD1 3.93Å; P11-F44 HydrophobicContact CB-CE1 4.05Å; P11-F44 HydrophobicContact CB-CG 4.38Å; P11-F44 HydrophobicContact CG-CB 3.82Å; P11-F44 HydrophobicContact CG-CD1 3.42Å; P11-F44 VanDerWaalsContact CG-CD1 3.42Å; P11-F44 HydrophobicContact CG-CD2 4.47Å; P11-F44 HydrophobicContact CG-CE1 4.07Å; P11-F44 HydrophobicContact CG-CG 3.65Å; Y13-F44 HydrophobicContact CD2-CE1 4.07Å; Y13-F44 HydrophobicContact CD2-CE2 4.3Å; Y13-F44 AromaticContact CD2-CZ 3.62Å; Y13-F44 HydrophobicContact CD2-CZ 3.62Å; Y13-F44 AromaticContact CE2-CE1 3.87Å; Y13-F44 HydrophobicContact CE2-CE1 3.87Å; Y13-F44 AromaticContact CE2-CZ 3.59Å; Y13-F44 HydrophobicContact CE2-CZ 3.59Å; L18-F44 HydrophobicContact CD2-CD2 3.69Å; L18-F44 HydrophobicContact CD2-CE2 3.43Å; L18-F44 VanDerWaalsContact CD2-CE2 3.43Å; L18-F44 HydrophobicContact CD2-CZ 4.31Å; M21-F44 HydrophobicContact CE-CE2 3.95Å; M21-F44 HydrophobicContact CE-CZ 4.02Å; I40-F44 PolarHBondContact O-N 2.98Å; F44-F46 PolarHBondContact O-N 3.44Å; F44-Y47 HydrophobicContact CB-CD2 3.85Å; F44-Y47 HydrophobicContact CB-CE2 4.28Å; F44-Y47 PolarHBondContact O-N 3.06Å
45	P	94.4	Very high	96.4	Very high	47 Å²	47	70.2 Å²	70.2	31%	0.305	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-54	-28.3	-176.1	-28.9	36.5	0	0	0	114.7	D7 Y47 Q48	D7-P45 HydrophobicContact CB-CB 4.26Å; D7-P45 HydrophobicContact CB-CG 4.39Å; P45-Y47 PolarHBondContact O-N 2.9Å; P45-Q48 VanDerWaalsContact O-CB 3.29Å; P45-Q48 WeakPolarHBondContact O-CB 3.44Å; P45-Q48 WeakPolarHBondContact O-CG 3.42Å; P45-Q48 PolarHBondContact O-N 3.47Å
46	F	95.4	Very high	96.5	Very high	60 Å²	60	71 Å²	71	26%	0.263	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-39.3	-42.4	168	178.6	-98.7	0	0	0	114.4	D7 D8 K10 F44 Q48	D7-F46 WeakPolarHBondContact O-CA 3.37Å; D7-F46 WeakPolarHBondContact O-CB 3.37Å; D7-F46 PolarHBondContact O-N 2.9Å; D7-F46 VanDerWaalsContact O-N 3.09Å; D8-F46 VanDerWaalsContact O-CD2 3.3Å; D8-F46 WeakPolarHBondContact O-CD2 3.3Å; K10-F46 HydrophobicContact CB-CD1 4.29Å; K10-F46 HydrophobicContact CB-CD2 4.35Å; K10-F46 HydrophobicContact CB-CE1 3.79Å; K10-F46 HydrophobicContact CB-CE2 3.86Å; K10-F46 HydrophobicContact CB-CZ 3.56Å; K10-F46 HydrophobicContact CD-CE1 4.16Å; K10-F46 HydrophobicContact CD-CZ 4.19Å; K10-F46 HydrophobicContact CG-CD1 4.26Å; K10-F46 HydrophobicContact CG-CE1 3.67Å; K10-F46 HydrophobicContact CG-CZ 3.88Å; F44-F46 PolarHBondContact O-N 3.44Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 3.37Å
47	Y	96.3	Very high	96.4	Very high	3 Å²	3	72.4 Å²	72.4	1%	0.012	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-83.2	4.6	-177.5	-66.8	-71.4	0	0	0	114.3	P11 Y15 L18 I40 F44 P45 K49 W54	P11-Y47 HydrophobicContact CG-CE2 4.04Å; Y15-Y47 HydrophobicContact CE1-CE1 4.13Å; L18-Y47 HydrophobicContact CD1-CE2 3.77Å; L18-Y47 HydrophobicContact CD2-CE2 4.49Å; I40-Y47 HydrophobicContact CG2-CD2 3.44Å; I40-Y47 VanDerWaalsContact CG2-CD2 3.44Å; I40-Y47 HydrophobicContact CG2-CE2 4.11Å; I40-Y47 HydrophobicContact CG2-CG 3.72Å; F44-Y47 HydrophobicContact CB-CD2 3.85Å; F44-Y47 HydrophobicContact CB-CE2 4.28Å; F44-Y47 PolarHBondContact O-N 3.06Å; P45-Y47 PolarHBondContact O-N 2.9Å; Y47-K49 VanDerWaalsContact C-N 3.25Å; Y47-W54 HydrophobicContact CD1-CB 4.04Å; Y47-W54 AromaticContact CD1-CD1 3.9Å; Y47-W54 AromaticContact CD1-CD2 3.93Å; Y47-W54 HydrophobicContact CD1-CD2 3.93Å; Y47-W54 HydrophobicContact CD1-CE3 4.49Å; Y47-W54 AromaticContact CD1-CG 3.7Å; Y47-W54 HydrophobicContact CD1-CG 3.7Å; Y47-W54 HydrophobicContact CE1-CB 4.29Å; Y47-W54 HydrophobicContact CE1-CG 4.42Å; Y47-W54 VanDerWaalsContact O-CE2 3.3Å; Y47-W54 WeakPolarHBondContact O-CZ2 3.32Å; Y47-W54 PolarHBondContact O-NE1 3.4Å
48	Q	95.7	Very high	96.4	Very high	115 Å²	115	71.2 Å²	71.2	54%	0.537	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-76	-19.5	169.7	-61.7	176.2	16	0	0	111.6	M41 P45 F46 V51	M41-Q48 HydrophobicContact CB-CG 4.06Å; M41-Q48 HydrophobicContact CG-CG 4.45Å; M41-Q48 PolarHBondContact O-NE2 3.17Å; P45-Q48 VanDerWaalsContact O-CB 3.29Å; P45-Q48 WeakPolarHBondContact O-CB 3.44Å; P45-Q48 WeakPolarHBondContact O-CG 3.42Å; P45-Q48 PolarHBondContact O-N 3.47Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 3.37Å; Q48-V51 WeakPolarHBondContact O-CG2 3.26Å
49	K	93.7	Very high	96.4	Very high	122 Å²	122	71.7 Å²	71.7	53%	0.53	33%	0.332	S	S	.	.	S	Bend	trans	-89.5	157.4	172.7	-60.4	171.7	-177.2	175.6	0	110.3	D8 Y47 V51	D8-K49 IonicContact OD1-NZ 3.97Å; D8-K49 PolarHBondContact OD1-NZ 3.45Å; D8-K49 IonicContact OD2-NZ 2.72Å; Y47-K49 VanDerWaalsContact C-N 3.25Å; K49-V51 VanDerWaalsContact C-N 3.27Å; K49-V51 PolarHBondContact O-N 2.93Å; K49-V51 VanDerWaalsContact O-N 3.14Å
50	D	93.3	Very high	96.4	Very high	122 Å²	122	74.3 Å²	74.3	65%	0.652	35%	0.345	S	S	*	.	S	Bend	trans	49.4	38.6	176.3	-67.4	-23.1	0	0	0	116	Q52 R53 W54	D50-Q52 VanDerWaalsContact C-N 3.3Å; D50-Q52 PolarHBondContact O-N 3.47Å; D50-Q52 VanDerWaalsContact O-N 3.08Å; D50-R53 HydrophobicContact CB-CB 4.38Å; D50-R53 PolarHBondContact O-N 3.41Å; D50-W54 PolarHBondContact O-N 3.03Å
51	V	96.3	Very high	96.3	Very high	48 Å²	48	75.2 Å²	75.2	29%	0.291	35%	0.35	S	S	.	.	H	α-helix	trans	-47.1	-47.5	-168.7	-179.1	0	0	0	0	113.5	Q48 K49 R53 Q55	Q48-V51 WeakPolarHBondContact O-CG2 3.26Å; K49-V51 VanDerWaalsContact C-N 3.27Å; K49-V51 PolarHBondContact O-N 2.93Å; K49-V51 VanDerWaalsContact O-N 3.14Å; V51-R53 PolarHBondContact O-N 3.11Å; V51-Q55 HydrophobicContact CG1-CG 4.06Å; V51-Q55 VanDerWaalsContact O-CB 3.23Å; V51-Q55 WeakPolarHBondContact O-CB 3.35Å; V51-Q55 WeakPolarHBondContact O-CG 3.4Å; V51-Q55 PolarHBondContact O-N 3.06Å
52	Q	97.2	Very high	96.2	Very high	139 Å²	139	73.4 Å²	73.4	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-62.9	-39	-178	-62.9	-58.8	-21.1	0	0	113.4	D50 N56	D50-Q52 VanDerWaalsContact C-N 3.3Å; D50-Q52 PolarHBondContact O-N 3.47Å; D50-Q52 VanDerWaalsContact O-N 3.08Å; Q52-N56 VanDerWaalsContact O-CB 3.31Å; Q52-N56 WeakPolarHBondContact O-CB 3.3Å; Q52-N56 PolarHBondContact O-N 3Å
53	R	96.9	Very high	96.2	Very high	189 Å²	189	68.9 Å²	68.9	71%	0.713	33%	0.333	S	S	*	.	H	α-helix	trans	-66.8	-50.1	-174.5	-176.4	-174.5	-66.4	-80.5	2.7	111.3	D50 V51 S57	D50-R53 HydrophobicContact CB-CB 4.38Å; D50-R53 PolarHBondContact O-N 3.41Å; V51-R53 PolarHBondContact O-N 3.11Å; R53-S57 PolarHBondContact O-N 3.28Å; R53-S57 PolarHBondContact O-OG 3.44Å
54	W	97.3	Very high	96	Very high	10 Å²	10	69.5 Å²	69.5	4%	0.038	34%	0.336	C	S	.	.	H	α-helix	trans	-78.1	-31.7	-179.1	74.1	-104.7	0	0	0	112.1	Y15 Y37 I40 M41 Y47 D50 S57 L58	Y15-W54 HydrophobicContact CE1-CB 4.21Å; Y37-W54 AromaticContact CD1-CH2 3.83Å; Y37-W54 HydrophobicContact CD1-CH2 3.83Å; Y37-W54 AromaticContact CD1-CZ3 3.75Å; Y37-W54 HydrophobicContact CD1-CZ3 3.75Å; Y37-W54 HydrophobicContact CE1-CZ3 4.33Å; Y37-W54 HydrophobicContact CG-CH2 4.17Å; I40-W54 HydrophobicContact CD1-CZ3 4.49Å; I40-W54 HydrophobicContact CG2-CZ3 4.49Å; M41-W54 HydrophobicContact CG-CH2 4.15Å; M41-W54 HydrophobicContact CG-CZ2 3.69Å; M41-W54 HydrophobicContact SD-CZ2 3.92Å; Y47-W54 HydrophobicContact CD1-CB 4.04Å; Y47-W54 AromaticContact CD1-CD1 3.9Å; Y47-W54 AromaticContact CD1-CD2 3.93Å; Y47-W54 HydrophobicContact CD1-CD2 3.93Å; Y47-W54 HydrophobicContact CD1-CE3 4.49Å; Y47-W54 AromaticContact CD1-CG 3.7Å; Y47-W54 HydrophobicContact CD1-CG 3.7Å; Y47-W54 HydrophobicContact CE1-CB 4.29Å; Y47-W54 HydrophobicContact CE1-CG 4.42Å; Y47-W54 VanDerWaalsContact O-CE2 3.3Å; Y47-W54 WeakPolarHBondContact O-CZ2 3.32Å; Y47-W54 PolarHBondContact O-NE1 3.4Å; D50-W54 PolarHBondContact O-N 3.03Å; W54-S57 CarbonylContact O-C 3.58Å; W54-S57 WeakPolarHBondContact O-CA 3.39Å; W54-S57 WeakPolarHBondContact O-CB 3.26Å; W54-S57 PolarHBondContact O-N 2.79Å; W54-L58 HydrophobicContact CE3-CB 4.48Å; W54-L58 HydrophobicContact CZ3-CD1 4.17Å; W54-L58 PolarHBondContact O-N 3.26Å
55	Q	98.2	Very high	95.9	Very high	25 Å²	25	68.4 Å²	68.4	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-40.3	173.7	-75.1	-169.6	5.4	0	0	111.7	Y37 V51 S57 L58 R59	Y37-Q55 HydrophobicContact CD1-CG 3.8Å; Y37-Q55 HydrophobicContact CD2-CG 4.35Å; Y37-Q55 HydrophobicContact CE1-CB 3.89Å; Y37-Q55 HydrophobicContact CE1-CG 3.56Å; Y37-Q55 VanDerWaalsContact CE2-CD 3.44Å; Y37-Q55 HydrophobicContact CE2-CG 4.14Å; Y37-Q55 VanDerWaalsContact CE2-OE1 3.28Å; Y37-Q55 HydrophobicContact CG-CG 4.18Å; V51-Q55 HydrophobicContact CG1-CG 4.06Å; V51-Q55 VanDerWaalsContact O-CB 3.23Å; V51-Q55 WeakPolarHBondContact O-CB 3.35Å; V51-Q55 WeakPolarHBondContact O-CG 3.4Å; V51-Q55 PolarHBondContact O-N 3.06Å; Q55-S57 VanDerWaalsContact C-N 3.27Å; Q55-S57 PolarHBondContact O-N 2.72Å; Q55-L58 PolarHBondContact O-N 2.8Å; Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.95Å
56	N	98	Very high	95.8	Very high	97 Å²	97	67.2 Å²	67.2	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-43.5	171.4	-166.2	35.2	0	0	0	111.1	Q52 L58 R59 H60	Q52-N56 VanDerWaalsContact O-CB 3.31Å; Q52-N56 WeakPolarHBondContact O-CB 3.3Å; Q52-N56 PolarHBondContact O-N 3Å; N56-L58 VanDerWaalsContact C-N 3.33Å; N56-L58 PolarHBondContact O-N 3.42Å; N56-R59 PolarHBondContact O-N 2.94Å; N56-R59 PolarHBondContact OD1-NH2 2.93Å; N56-H60 PolarHBondContact O-N 3.33Å
57	S	97.5	Very high	95.6	Very high	28 Å²	28	64.6 Å²	64.6	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-40.9	175.1	-55.5	0	0	0	0	112.7	Y15 R53 W54 Q55 H60 N61	Y15-S57 VanDerWaalsContact CE2-CB 3.41Å; R53-S57 PolarHBondContact O-N 3.28Å; R53-S57 PolarHBondContact O-OG 3.44Å; W54-S57 CarbonylContact O-C 3.58Å; W54-S57 WeakPolarHBondContact O-CA 3.39Å; W54-S57 WeakPolarHBondContact O-CB 3.26Å; W54-S57 PolarHBondContact O-N 2.79Å; Q55-S57 VanDerWaalsContact C-N 3.27Å; Q55-S57 PolarHBondContact O-N 2.72Å; S57-H60 PolarHBondContact O-CD2 3.03Å; S57-H60 VanDerWaalsContact O-CG 3.3Å; S57-H60 PolarHBondContact O-NE2 2.89Å; S57-N61 PolarHBondContact O-N 3.39Å; S57-N61 VanDerWaalsContact O-N 3.15Å; S57-N61 PolarHBondContact O-ND2 2.86Å
58	L	97.9	Very high	95.6	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-42.5	178	-168.4	146.7	0	0	0	111.9	L33 I36 Y37 I40 W54 Q55 N56 H60 N61 L62	L33-L58 HydrophobicContact CD1-CD2 3.92Å; I36-L58 HydrophobicContact CG2-CD1 3.92Å; I36-L58 HydrophobicContact CG2-CD2 4.03Å; Y37-L58 HydrophobicContact CE1-CD2 4.09Å; I40-L58 HydrophobicContact CD1-CD1 3.3Å; W54-L58 HydrophobicContact CE3-CB 4.48Å; W54-L58 HydrophobicContact CZ3-CD1 4.17Å; W54-L58 PolarHBondContact O-N 3.26Å; Q55-L58 PolarHBondContact O-N 2.8Å; N56-L58 VanDerWaalsContact C-N 3.33Å; N56-L58 PolarHBondContact O-N 3.42Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 2.92Å; L58-N61 WeakPolarHBondContact O-CA 3.4Å; L58-N61 WeakPolarHBondContact O-CB 3.43Å; L58-N61 PolarHBondContact O-N 3.23Å; L58-L62 HydrophobicContact CD2-CD1 3.59Å; L58-L62 HydrophobicContact CD2-CG 3.97Å; L58-L62 PolarHBondContact O-N 2.93Å
59	R	98.2	Very high	95.5	Very high	85 Å²	85	60.5 Å²	60.5	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-42	175.6	-70.7	-171.2	-55.1	-95.6	9.7	112.1	L33 Y37 Q55 N56 N61 L62 S63	L33-R59 HydrophobicContact CD1-CG 4.45Å; L33-R59 HydrophobicContact CD2-CG 4.06Å; Y37-R59 WeakPolarHBondContact OH-CD 3.31Å; Y37-R59 WeakPolarHBondContact OH-CG 3.25Å; Y37-R59 PolarHBondContact OH-NH1 3.3Å; Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.95Å; N56-R59 PolarHBondContact O-N 2.94Å; N56-R59 PolarHBondContact OD1-NH2 2.93Å; R59-N61 VanDerWaalsContact C-N 3.27Å; R59-N61 PolarHBondContact O-N 3.22Å; R59-L62 PolarHBondContact O-N 3.47Å; R59-S63 PolarHBondContact O-N 2.94Å; R59-S63 PolarHBondContact O-OG 3.48Å
60	H	96.9	Very high	95.6	Very high	100 Å²	100	61.1 Å²	61.1	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-39.6	173.2	97.8	58.6	0	0	0	110.6	N56 S57 L58 F64	N56-H60 PolarHBondContact O-N 3.33Å; S57-H60 PolarHBondContact O-CD2 3.03Å; S57-H60 VanDerWaalsContact O-CG 3.3Å; S57-H60 PolarHBondContact O-NE2 2.89Å; L58-H60 VanDerWaalsContact C-N 3.34Å; L58-H60 PolarHBondContact O-N 2.92Å; H60-F64 WeakPolarHBondContact O-CB 3.09Å; H60-F64 PolarHBondContact O-N 3.25Å
61	N	95.1	Very high	95.6	Very high	18 Å²	18	56.2 Å²	56.2	10%	0.096	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-36.9	-178.1	-87.3	-80.7	0	0	0	113	Y15 S57 L58 R59 N65	Y15-N61 WeakPolarHBondContact CD2-ND2 3.39Å; S57-N61 PolarHBondContact O-N 3.39Å; S57-N61 VanDerWaalsContact O-N 3.15Å; S57-N61 PolarHBondContact O-ND2 2.86Å; L58-N61 WeakPolarHBondContact O-CA 3.4Å; L58-N61 WeakPolarHBondContact O-CB 3.43Å; L58-N61 PolarHBondContact O-N 3.23Å; R59-N61 VanDerWaalsContact C-N 3.27Å; R59-N61 PolarHBondContact O-N 3.22Å; N61-N65 WeakPolarHBondContact O-CB 3.48Å; N61-N65 PolarHBondContact O-N 3.47Å; N61-N65 PolarHBondContact O-ND2 3.43Å; N61-N65 PolarHBondContact OD1-ND2 2.98Å
62	L	96.2	Very high	95.4	Very high	4 Å²	4	55 Å²	55	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-49.7	175.5	-73	173.2	0	0	0	111.7	T19 L33 L58 R59 F68 W84	T19-L62 HydrophobicContact CG2-CD2 3.72Å; L33-L62 HydrophobicContact CD1-CD1 3.53Å; L58-L62 HydrophobicContact CD2-CD1 3.59Å; L58-L62 HydrophobicContact CD2-CG 3.97Å; L58-L62 PolarHBondContact O-N 2.93Å; R59-L62 PolarHBondContact O-N 3.47Å; L62-F68 HydrophobicContact CD2-CB 4.1Å; L62-F68 HydrophobicContact CD2-CD1 4.33Å; L62-F68 HydrophobicContact CD2-CD2 4.02Å; L62-F68 HydrophobicContact CD2-CG 3.88Å; L62-W84 HydrophobicContact CB-CD2 4.3Å; L62-W84 HydrophobicContact CB-CE3 4.11Å; L62-W84 HydrophobicContact CB-CH2 3.77Å; L62-W84 HydrophobicContact CB-CZ2 3.98Å; L62-W84 HydrophobicContact CB-CZ3 3.84Å; L62-W84 HydrophobicContact CD1-CD2 4.11Å; L62-W84 HydrophobicContact CD1-CG 4.31Å; L62-W84 HydrophobicContact CD1-CZ2 4.29Å; L62-W84 HydrophobicContact CD2-CB 4.43Å; L62-W84 HydrophobicContact CD2-CD2 3.96Å; L62-W84 HydrophobicContact CD2-CE3 3.97Å; L62-W84 HydrophobicContact CD2-CG 4.17Å; L62-W84 HydrophobicContact CG-CD2 4.37Å; L62-W84 HydrophobicContact CG-CE3 4.5Å
63	S	95.1	Very high	95.1	Very high	94 Å²	94	50.9 Å²	50.9	66%	0.657	24%	0.241	S	C	*	.	H	α-helix	trans	-75.2	-29.4	-178.9	-54.9	0	0	0	0	113.4	R59	R59-S63 PolarHBondContact O-N 2.94Å; R59-S63 PolarHBondContact O-OG 3.48Å
64	F	92.4	Very high	94.6	Very high	123 Å²	123	49.2 Å²	49.2	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-75.1	-43.7	-178	-177.5	-126.7	0	0	0	112.1	H60 R105	H60-F64 WeakPolarHBondContact O-CB 3.09Å; H60-F64 PolarHBondContact O-N 3.25Å; F64-R105 PolarHBondContact O-NH2 3.03Å
65	N	92.3	Very high	94.1	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	27%	0.271	C	S	.	.			trans	-96.8	121.7	-167.5	-63	-69.5	0	0	0	113.5	N61 C67 F68 R105	N61-N65 WeakPolarHBondContact O-CB 3.48Å; N61-N65 PolarHBondContact O-N 3.47Å; N61-N65 PolarHBondContact O-ND2 3.43Å; N61-N65 PolarHBondContact OD1-ND2 2.98Å; N65-C67 HydrophobicContact CB-CB 4.43Å; N65-C67 PolarHBondContact O-N 3.07Å; N65-F68 HydrophobicContact CB-CD2 4.28Å; N65-F68 PolarHBondContact O-N 3Å; N65-R105 VanDerWaalsContact CA-NH2 3.32Å; N65-R105 PolarHBondContact OD1-NE 2.67Å; N65-R105 PolarHBondContact OD1-NH2 2.97Å
66	D	91.8	Very high	93.6	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.123	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-7.1	173.8	-53.7	-38.7	0	0	0	114.2	F68 F106 R107 L108 K113	D66-F68 PolarHBondContact O-N 2.73Å; D66-F106 HydrophobicContact CB-CD1 4.11Å; D66-F106 HydrophobicContact CB-CE1 4.21Å; D66-F106 WeakPolarHBondContact O-CE1 3.31Å; D66-R107 WeakPolarHBondContact OD2-CA 3.42Å; D66-L108 HydrophobicContact CB-CB 4.28Å; D66-L108 HydrophobicContact CB-CD1 4.08Å; D66-L108 HydrophobicContact CB-CG 3.94Å; D66-L108 PolarHBondContact OD2-N 3.47Å; D66-K113 IonicContact OD1-NZ 2.62Å; D66-K113 PolarHBondContact OD1-NZ 3.46Å
67	C	92.2	Very high	92.9	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.027	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31	168.4	-60.1	0	0	0	0	112.3	N65 L86 H87	N65-C67 HydrophobicContact CB-CB 4.43Å; N65-C67 PolarHBondContact O-N 3.07Å; C67-L86 HydrophobicContact CB-CD1 4.2Å; C67-L86 CarbonylContact O-C 3.59Å; C67-L86 WeakPolarHBondContact O-CA 3.39Å; C67-L86 WeakPolarHBondContact O-CD1 3.42Å; C67-H87 PolarHBondContact O-N 3.1Å
68	F	94.6	Very high	92.4	Very high	13 Å²	13	61.7 Å²	61.7	6%	0.057	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.3	-172.8	-57.6	-61.9	0	0	0	110.9	I16 T19 I23 L62 N65 D66 W84 T85 L86	I16-F68 HydrophobicContact CB-CE2 4.39Å; I16-F68 HydrophobicContact CB-CZ 4.37Å; I16-F68 HydrophobicContact CG1-CE2 4.39Å; I16-F68 HydrophobicContact CG2-CE2 4Å; I16-F68 HydrophobicContact CG2-CZ 3.8Å; T19-F68 HydrophobicContact CG2-CD1 3.92Å; T19-F68 HydrophobicContact CG2-CE1 3.42Å; T19-F68 VanDerWaalsContact CG2-CE1 3.42Å; T19-F68 HydrophobicContact CG2-CE2 4.34Å; T19-F68 HydrophobicContact CG2-CZ 3.66Å; I23-F68 HydrophobicContact CD1-CD1 3.98Å; I23-F68 HydrophobicContact CD1-CE1 4.12Å; L62-F68 HydrophobicContact CD2-CB 4.1Å; L62-F68 HydrophobicContact CD2-CD1 4.33Å; L62-F68 HydrophobicContact CD2-CD2 4.02Å; L62-F68 HydrophobicContact CD2-CG 3.88Å; N65-F68 HydrophobicContact CB-CD2 4.28Å; N65-F68 PolarHBondContact O-N 3Å; D66-F68 PolarHBondContact O-N 2.73Å; F68-W84 HydrophobicContact CB-CE3 4.04Å; F68-W84 HydrophobicContact CB-CZ3 4.34Å; F68-T85 WeakPolarHBondContact CA-O 3.45Å; F68-L86 HydrophobicContact CD1-CD1 4.01Å; F68-L86 HydrophobicContact CE1-CD1 3.71Å
69	I	94.5	Very high	91.9	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.6	-179.9	-54.5	168.6	0	0	0	107.9	I71 W84 T85 H87 L116 L120	I69-I71 HydrophobicContact CG2-CG1 4.25Å; I69-W84 WeakPolarHBondContact O-CA 3.44Å; I69-T85 HydrophobicContact CB-CG2 3.8Å; I69-T85 HydrophobicContact CD1-CG2 4.19Å; I69-T85 HydrophobicContact CG1-CG2 4.45Å; I69-T85 HydrophobicContact CG2-CG2 4.45Å; I69-T85 PolarHBondContact N-O 2.81Å; I69-T85 PolarHBondContact O-N 2.97Å; I69-H87 HydrophobicContact CD1-CB 4.08Å; I69-H87 HydrophobicContact CG1-CB 4.32Å; I69-L116 HydrophobicContact CD1-CD1 4.4Å; I69-L116 HydrophobicContact CD1-CD2 3.71Å; I69-L116 HydrophobicContact CG1-CD2 3.92Å; I69-L116 HydrophobicContact CG2-CD2 4.38Å; I69-L120 HydrophobicContact CG2-CD1 3.52Å
70	K	95.5	Very high	91.5	Very high	135 Å²	135	69.3 Å²	69.3	59%	0.587	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.4	172.5	-175.5	-174.5	174.9	-171.1	0	109.1	A82 W84	K70-A82 HydrophobicContact CD-CB 4.2Å; K70-A82 HydrophobicContact CG-CB 3.54Å; K70-W84 HydrophobicContact CB-CE3 4.1Å; K70-W84 HydrophobicContact CB-CH2 3.97Å; K70-W84 HydrophobicContact CB-CZ2 4.36Å; K70-W84 HydrophobicContact CB-CZ3 3.83Å; K70-W84 HydrophobicContact CD-CH2 4.45Å; K70-W84 HydrophobicContact CD-CZ2 4.42Å; K70-W84 HydrophobicContact CG-CH2 4.33Å; K70-W84 HydrophobicContact CG-CZ2 4.27Å
71	I	93.3	Very high	91.3	Very high	20 Å²	20	67.3 Å²	67.3	10%	0.103	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.6	175	-63.5	179.3	0	0	0	108.4	M30 I69 A82 Y83 T85 L120 M125	M30-I71 HydrophobicContact CE-CD1 4.21Å; I69-I71 HydrophobicContact CG2-CG1 4.25Å; I71-A82 WeakPolarHBondContact O-CB 3.12Å; I71-Y83 PolarHBondContact N-O 3.46Å; I71-Y83 PolarHBondContact O-N 3.5Å; I71-T85 HydrophobicContact CD1-CG2 3.47Å; I71-T85 VanDerWaalsContact CD1-CG2 3.47Å; I71-T85 HydrophobicContact CG1-CG2 4.07Å; I71-L120 HydrophobicContact CG1-CD2 4.11Å; I71-M125 HydrophobicContact CG2-CE 3.9Å; I71-M125 HydrophobicContact CG2-SD 3.64Å
72	P	91.8	Very high	91.3	Very high	21 Å²	21	67 Å²	67	14%	0.136	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-64.8	155.3	175.6	32.4	-38.9	0	0	0	111	M125 L126	P72-M125 VanDerWaalsContact CB-O 3.26Å; P72-M125 WeakPolarHBondContact CB-O 3.39Å; P72-M125 VanDerWaalsContact CG-C 3.41Å; P72-M125 HydrophobicContact CG-CB 3.66Å; P72-M125 HydrophobicContact CG-CG 3.97Å; P72-M125 WeakPolarHBondContact CG-O 3.48Å; P72-M125 HydrophobicContact CG-SD 4.45Å; P72-M125 WeakPolarHBondContact O-CE 3.2Å; P72-L126 HydrophobicContact CB-CD2 3.81Å; P72-L126 HydrophobicContact CG-CD2 3.63Å; P72-L126 HydrophobicContact CG-CG 3.94Å
73	R	90.5	Very high	91.3	Very high	54 Å²	54	69.9 Å²	69.9	20%	0.204	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-74.6	148.4	170.7	-66.8	-179.5	-176.7	-91.6	3.2	109.6	G79 K80 G81 Y83	R73-G79 WeakPolarHBondContact CD-O 3.43Å; R73-G79 PolarHBondContact NE-O 3.2Å; R73-K80 PolarHBondContact NE-O 3.18Å; R73-K80 PolarHBondContact NH2-O 3.22Å; R73-G81 VanDerWaalsContact CD-O 3.22Å; R73-G81 WeakPolarHBondContact CD-O 3.49Å; R73-G81 WeakPolarHBondContact CG-O 3.4Å; R73-G81 PolarHBondContact NE-O 3.21Å; R73-Y83 HydrophobicContact CG-CD2 4.05Å; R73-Y83 HydrophobicContact CG-CE2 3.83Å; R73-Y83 PolarHBondContact NH1-OH 3.01Å; R73-Y83 VanDerWaalsContact NH1-OH 3.11Å
74	R	87.8	Confident	91.4	Very high	153 Å²	153	66.8 Å²	66.8	58%	0.577	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-68.4	149.5	166.3	-70.6	-178.2	176.8	169.9	-1.3	109.6	D76 T77 M125	R74-D76 WeakPolarHBondContact CB-OD1 3.4Å; R74-D76 PolarHBondContact O-N 3.5Å; R74-T77 PolarHBondContact O-N 2.96Å; R74-T77 PolarHBondContact O-OG1 3.22Å; R74-M125 HydrophobicContact CG-CE 3.82Å; R74-M125 HydrophobicContact CG-CG 4.44Å
75	P	86.3	Confident	91.5	Very high	125 Å²	125	61.6 Å²	61.6	81%	0.812	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.1	-176	28	-36	0	0	0	114.4	T77	P75-T77 VanDerWaalsContact C-N 3.34Å
76	D	87.8	Confident	91.6	Very high	106 Å²	106	61.6 Å²	61.6	57%	0.567	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.2	174	61.7	-11.2	0	0	0	113.8	R74 P78	R74-D76 WeakPolarHBondContact CB-OD1 3.4Å; R74-D76 PolarHBondContact O-N 3.5Å; D76-P78 WeakPolarHBondContact O-CD 3.4Å
77	T	83.5	Confident	91.6	Very high	60 Å²	60	61.5 Å²	61.5	37%	0.368	33%	0.333	S	S	.	.	S	Bend	trans	-108.9	91.3	-172.8	46.5	0	0	0	0	111.1	R74 P75 G79	R74-T77 PolarHBondContact O-N 2.96Å; R74-T77 PolarHBondContact O-OG1 3.22Å; P75-T77 VanDerWaalsContact C-N 3.34Å; T77-G79 PolarHBondContact O-N 3.3Å
78	P	86.3	Confident	91.4	Very high	132 Å²	132	65.5 Å²	65.5	86%	0.857	36%	0.359	S	S	*	.			trans	-61.5	123.7	178.7	25.5	-34.1	0	0	0	110.3	D76	D76-P78 WeakPolarHBondContact O-CD 3.4Å
79	G	88.2	Confident	91	Very high	45 Å²	45	68.1 Å²	68.1	46%	0.464	38%	0.379	S	S	.	.			trans	-176.6	150.7	-178.8	0	0	0	0	0	113.6	R73 T77	R73-G79 WeakPolarHBondContact CD-O 3.43Å; R73-G79 PolarHBondContact NE-O 3.2Å; T77-G79 PolarHBondContact O-N 3.3Å
80	K	89.9	Confident	90.6	Very high	200 Å²	200	67.2 Å²	67.2	87%	0.87	37%	0.374	S	S	*	.	S	Bend	trans	-73.6	134.6	-179.4	-169.1	170.2	-177	171.9	0	111.4	R73	R73-K80 PolarHBondContact NE-O 3.18Å; R73-K80 PolarHBondContact NH2-O 3.22Å
81	G	92.2	Very high	90	Very high	57 Å²	57	63.7 Å²	63.7	59%	0.588	36%	0.358	S	S	*	.	S	Bend	trans	67.9	-167.9	170.5	0	0	0	0	0	114.9	R73	R73-G81 VanDerWaalsContact CD-O 3.22Å; R73-G81 WeakPolarHBondContact CD-O 3.49Å; R73-G81 WeakPolarHBondContact CG-O 3.4Å; R73-G81 PolarHBondContact NE-O 3.21Å
82	A	94.8	Very high	89.5	Confident	12 Å²	12	67 Å²	67	10%	0.099	38%	0.379	C	S	.	.			trans	-101.5	161.5	178.5	0	0	0	0	0	111.4	K70 I71	K70-A82 HydrophobicContact CD-CB 4.2Å; K70-A82 HydrophobicContact CG-CB 3.54Å; I71-A82 WeakPolarHBondContact O-CB 3.12Å
83	Y	96.2	Very high	88.9	Confident	65 Å²	65	68.7 Å²	68.7	26%	0.255	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	150	162.7	-68.9	-79.8	0	0	0	110	M30 I71 R73	M30-Y83 HydrophobicContact CG-CD1 4.17Å; M30-Y83 HydrophobicContact CG-CG 4.48Å; M30-Y83 HydrophobicContact SD-CD1 4.32Å; M30-Y83 HydrophobicContact SD-CG 4.15Å; I71-Y83 PolarHBondContact N-O 3.46Å; I71-Y83 PolarHBondContact O-N 3.5Å; R73-Y83 HydrophobicContact CG-CD2 4.05Å; R73-Y83 HydrophobicContact CG-CE2 3.83Å; R73-Y83 PolarHBondContact NH1-OH 3.01Å; R73-Y83 VanDerWaalsContact NH1-OH 3.11Å
84	W	97.3	Very high	88.2	Confident	28 Å²	28	67.3 Å²	67.3	11%	0.106	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.1	170	-66.9	92.3	0	0	0	108.8	M30 L31 I36 L62 F68 I69 K70	M30-W84 VanDerWaalsContact CA-O 3.31Å; M30-W84 WeakPolarHBondContact CA-O 3.4Å; L31-W84 PolarHBondContact N-O 3.49Å; L31-W84 PolarHBondContact O-N 3.36Å; I36-W84 HydrophobicContact CD1-CB 4.05Å; I36-W84 HydrophobicContact CD1-CG 4.45Å; L62-W84 HydrophobicContact CB-CD2 4.3Å; L62-W84 HydrophobicContact CB-CE3 4.11Å; L62-W84 HydrophobicContact CB-CH2 3.77Å; L62-W84 HydrophobicContact CB-CZ2 3.98Å; L62-W84 HydrophobicContact CB-CZ3 3.84Å; L62-W84 HydrophobicContact CD1-CD2 4.11Å; L62-W84 HydrophobicContact CD1-CG 4.31Å; L62-W84 HydrophobicContact CD1-CZ2 4.29Å; L62-W84 HydrophobicContact CD2-CB 4.43Å; L62-W84 HydrophobicContact CD2-CD2 3.96Å; L62-W84 HydrophobicContact CD2-CE3 3.97Å; L62-W84 HydrophobicContact CD2-CG 4.17Å; L62-W84 HydrophobicContact CG-CD2 4.37Å; L62-W84 HydrophobicContact CG-CE3 4.5Å; F68-W84 HydrophobicContact CB-CE3 4.04Å; F68-W84 HydrophobicContact CB-CZ3 4.34Å; I69-W84 WeakPolarHBondContact O-CA 3.44Å; K70-W84 HydrophobicContact CB-CE3 4.1Å; K70-W84 HydrophobicContact CB-CH2 3.97Å; K70-W84 HydrophobicContact CB-CZ2 4.36Å; K70-W84 HydrophobicContact CB-CZ3 3.83Å; K70-W84 HydrophobicContact CD-CH2 4.45Å; K70-W84 HydrophobicContact CD-CZ2 4.42Å; K70-W84 HydrophobicContact CG-CH2 4.33Å; K70-W84 HydrophobicContact CG-CZ2 4.27Å
85	T	95.6	Very high	87.5	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.092	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	170.4	171.4	-169.5	0	0	0	0	110	R29 F68 I69 I71 Y91	R29-T85 WeakPolarHBondContact O-CB 3.14Å; R29-T85 PolarHBondContact O-OG1 2.87Å; F68-T85 WeakPolarHBondContact CA-O 3.45Å; I69-T85 HydrophobicContact CB-CG2 3.8Å; I69-T85 HydrophobicContact CD1-CG2 4.19Å; I69-T85 HydrophobicContact CG1-CG2 4.45Å; I69-T85 HydrophobicContact CG2-CG2 4.45Å; I69-T85 PolarHBondContact N-O 2.81Å; I69-T85 PolarHBondContact O-N 2.97Å; I71-T85 HydrophobicContact CD1-CG2 3.47Å; I71-T85 VanDerWaalsContact CD1-CG2 3.47Å; I71-T85 HydrophobicContact CG1-CG2 4.07Å; T85-Y91 PolarHBondContact OG1-OH 3.39Å
86	L	93.6	Very high	86.6	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.031	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.9	173.2	-168.5	76.3	0	0	0	109.4	I23 C67 F68 C90 Y91 F94	I23-L86 HydrophobicContact CG2-CB 4.32Å; C67-L86 HydrophobicContact CB-CD1 4.2Å; C67-L86 CarbonylContact O-C 3.59Å; C67-L86 WeakPolarHBondContact O-CA 3.39Å; C67-L86 WeakPolarHBondContact O-CD1 3.42Å; F68-L86 HydrophobicContact CD1-CD1 4.01Å; F68-L86 HydrophobicContact CE1-CD1 3.71Å; L86-C90 HydrophobicContact CD1-CB 3.97Å; L86-C90 HydrophobicContact CD2-CB 4.03Å; L86-C90 HydrophobicContact CG-CB 3.74Å; L86-Y91 HydrophobicContact CB-CD2 4.4Å; L86-Y91 HydrophobicContact CB-CE1 4.08Å; L86-Y91 HydrophobicContact CB-CE2 3.9Å; L86-Y91 HydrophobicContact CD2-CD1 3.87Å; L86-Y91 HydrophobicContact CD2-CD2 4.16Å; L86-Y91 HydrophobicContact CD2-CE1 4.14Å; L86-Y91 HydrophobicContact CD2-CE2 4.45Å; L86-Y91 HydrophobicContact CD2-CG 3.88Å; L86-Y91 HydrophobicContact CG-CD2 4.5Å; L86-Y91 HydrophobicContact CG-CE2 4.47Å; L86-Y91 WeakPolarHBondContact O-CE2 3.46Å; L86-F94 HydrophobicContact CD1-CD2 4.39Å; L86-F94 HydrophobicContact CD1-CE2 3.99Å; L86-F94 HydrophobicContact CD2-CD2 3.81Å; L86-F94 HydrophobicContact CD2-CE2 4.21Å
87	H	91.6	Very high	85.5	Confident	22 Å²	22	65.2 Å²	65.2	10%	0.102	38%	0.384	C	S	.	.			trans	-63.6	139	174.9	-170.6	-84.7	0	0	0	111.1	C67 I69 S89 C90 Y91 F106	C67-H87 PolarHBondContact O-N 3.1Å; I69-H87 HydrophobicContact CD1-CB 4.08Å; I69-H87 HydrophobicContact CG1-CB 4.32Å; H87-S89 VanDerWaalsContact C-N 3.33Å; H87-S89 PolarHBondContact CE1-OG 2.95Å; H87-S89 VanDerWaalsContact CE1-OG 3.22Å; H87-S89 PolarHBondContact ND1-N 3.44Å; H87-S89 VanDerWaalsContact ND1-N 3.18Å; H87-S89 PolarHBondContact ND1-OG 3.23Å; H87-S89 PolarHBondContact O-N 3.15Å; H87-C90 HydrophobicContact CB-CB 4.29Å; H87-C90 WeakPolarHBondContact O-CA 3.17Å; H87-C90 VanDerWaalsContact O-CB 3.31Å; H87-C90 WeakPolarHBondContact O-CB 3.49Å; H87-C90 PolarHBondContact O-N 3.44Å; H87-Y91 WeakPolarHBondContact O-CD2 3.46Å; H87-Y91 PolarHBondContact O-N 2.97Å; H87-F106 HydrophobicContact CB-CE1 4.15Å; H87-F106 HydrophobicContact CB-CZ 4.38Å; H87-F106 AromaticContact CG-CZ 3.99Å; H87-F106 AromaticContact ND1-CZ 3.66Å
88	P	88.4	Confident	85.1	Confident	88 Å²	88	64.9 Å²	64.9	57%	0.571	38%	0.383	S	S	*	.	H	α-helix	trans	-45.6	-51.8	178.3	-33.2	37.4	0	0	0	113.7	C90 Y91	P88-C90 PolarHBondContact O-N 3.16Å; P88-Y91 PolarHBondContact O-N 2.95Å
89	S	85.4	Confident	84.5	Confident	67 Å²	67	60 Å²	60	47%	0.469	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-8.9	177.4	-37.3	0	0	0	0	115.5	H87 M93	H87-S89 VanDerWaalsContact C-N 3.33Å; H87-S89 PolarHBondContact CE1-OG 2.95Å; H87-S89 VanDerWaalsContact CE1-OG 3.22Å; H87-S89 PolarHBondContact ND1-N 3.44Å; H87-S89 VanDerWaalsContact ND1-N 3.18Å; H87-S89 PolarHBondContact ND1-OG 3.23Å; H87-S89 PolarHBondContact O-N 3.15Å; S89-M93 WeakPolarHBondContact O-CE 3.25Å
90	C	86.2	Confident	83.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-95.9	-19.7	176	-82.5	0	0	0	0	114.1	L86 H87 P88 T92 M93 F94 F106	L86-C90 HydrophobicContact CD1-CB 3.97Å; L86-C90 HydrophobicContact CD2-CB 4.03Å; L86-C90 HydrophobicContact CG-CB 3.74Å; H87-C90 HydrophobicContact CB-CB 4.29Å; H87-C90 WeakPolarHBondContact O-CA 3.17Å; H87-C90 VanDerWaalsContact O-CB 3.31Å; H87-C90 WeakPolarHBondContact O-CB 3.49Å; H87-C90 PolarHBondContact O-N 3.44Å; P88-C90 PolarHBondContact O-N 3.16Å; C90-T92 PolarHBondContact O-N 3.43Å; C90-M93 HydrophobicContact CB-SD 4.4Å; C90-M93 VanDerWaalsContact O-CB 3.26Å; C90-M93 WeakPolarHBondContact O-CB 3.24Å; C90-M93 PolarHBondContact O-N 3.49Å; C90-F94 HydrophobicContact CB-CE2 4.43Å; C90-F94 VanDerWaalsContact O-CD2 3.25Å; C90-F94 WeakPolarHBondContact O-CD2 3.45Å; C90-F106 WeakPolarHBondContact SG-CD1 3.21Å; C90-F106 VanDerWaalsContact SG-CE1 3.56Å; C90-F106 WeakPolarHBondContact SG-CG 3.31Å
91	Y	84.3	Confident	82.8	Confident	61 Å²	61	65.1 Å²	65.1	24%	0.239	36%	0.358	C	S	.	.	H	α-helix	trans	-57.7	-48.1	-177.1	-79.8	-87.2	0	0	0	112.1	R29 T85 L86 H87 P88 M93 F94 E95	R29-Y91 HydrophobicContact CB-CE1 4.23Å; R29-Y91 WeakPolarHBondContact CB-OH 3.39Å; R29-Y91 HydrophobicContact CG-CE1 4.49Å; R29-Y91 PolarHBondContact O-OH 3.06Å; T85-Y91 PolarHBondContact OG1-OH 3.39Å; L86-Y91 HydrophobicContact CB-CD2 4.4Å; L86-Y91 HydrophobicContact CB-CE1 4.08Å; L86-Y91 HydrophobicContact CB-CE2 3.9Å; L86-Y91 HydrophobicContact CD2-CD1 3.87Å; L86-Y91 HydrophobicContact CD2-CD2 4.16Å; L86-Y91 HydrophobicContact CD2-CE1 4.14Å; L86-Y91 HydrophobicContact CD2-CE2 4.45Å; L86-Y91 HydrophobicContact CD2-CG 3.88Å; L86-Y91 HydrophobicContact CG-CD2 4.5Å; L86-Y91 HydrophobicContact CG-CE2 4.47Å; L86-Y91 WeakPolarHBondContact O-CE2 3.46Å; H87-Y91 WeakPolarHBondContact O-CD2 3.46Å; H87-Y91 PolarHBondContact O-N 2.97Å; P88-Y91 PolarHBondContact O-N 2.95Å; Y91-M93 PolarHBondContact O-N 2.82Å; Y91-F94 PolarHBondContact O-N 3.18Å; Y91-E95 WeakPolarHBondContact O-CB 3.22Å; Y91-E95 PolarHBondContact O-N 3.01Å
92	T	81.5	Confident	82.1	Confident	90 Å²	90	66.4 Å²	66.4	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-57.2	-21	177.1	58.7	0	0	0	0	113.8	C90 F94	C90-T92 PolarHBondContact O-N 3.43Å; T92-F94 VanDerWaalsContact C-N 3.32Å
93	M	78.9	Confident	81.1	Confident	56 Å²	56	78.3 Å²	78.3	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-78.8	-14.2	178.4	-52.4	178.6	171.7	0	0	113.5	S89 C90 Y91 R102 F106	S89-M93 WeakPolarHBondContact O-CE 3.25Å; C90-M93 HydrophobicContact CB-SD 4.4Å; C90-M93 VanDerWaalsContact O-CB 3.26Å; C90-M93 WeakPolarHBondContact O-CB 3.24Å; C90-M93 PolarHBondContact O-N 3.49Å; Y91-M93 PolarHBondContact O-N 2.82Å; M93-R102 PolarHBondContact SD-NH1 3.11Å; M93-R102 PolarHBondContact SD-NH2 3.01Å; M93-F106 HydrophobicContact CE-CD2 3.82Å; M93-F106 HydrophobicContact CE-CE2 4.33Å; M93-F106 HydrophobicContact SD-CD2 4.35Å
94	F	76.9	Confident	80.3	Confident	25 Å²	25	86 Å²	86	11%	0.11	42%	0.417	C	S	.	.	H	α-helix	trans	-123.2	-20.6	180	-56.8	-79.3	0	0	0	113	I16 A20 L86 C90 Y91 T92 N96 G97 L99 R102	I16-F94 HydrophobicContact CG2-CE1 4.27Å; I16-F94 HydrophobicContact CG2-CZ 3.73Å; A20-F94 HydrophobicContact CB-CB 4.35Å; A20-F94 HydrophobicContact CB-CD1 3.78Å; A20-F94 HydrophobicContact CB-CD2 3.94Å; A20-F94 HydrophobicContact CB-CE1 3.98Å; A20-F94 HydrophobicContact CB-CE2 4.14Å; A20-F94 HydrophobicContact CB-CG 3.75Å; A20-F94 HydrophobicContact CB-CZ 4.16Å; L86-F94 HydrophobicContact CD1-CD2 4.39Å; L86-F94 HydrophobicContact CD1-CE2 3.99Å; L86-F94 HydrophobicContact CD2-CD2 3.81Å; L86-F94 HydrophobicContact CD2-CE2 4.21Å; C90-F94 HydrophobicContact CB-CE2 4.43Å; C90-F94 VanDerWaalsContact O-CD2 3.25Å; C90-F94 WeakPolarHBondContact O-CD2 3.45Å; Y91-F94 PolarHBondContact O-N 3.18Å; T92-F94 VanDerWaalsContact C-N 3.32Å; F94-N96 PolarHBondContact O-N 2.8Å; F94-G97 PolarHBondContact O-N 2.82Å; F94-G97 VanDerWaalsContact O-N 3.15Å; F94-L99 HydrophobicContact CD1-CD2 4.4Å; F94-R102 VanDerWaalsContact CZ-NH2 3.27Å
95	E	72.4	Confident	79.6	Confident	140 Å²	140	89 Å²	89	65%	0.654	43%	0.428	S	S	*	.	H	α-helix	trans	-56	-44.4	178.9	-173.7	162.3	-139.4	0	0	112.8	Y91 G97	Y91-E95 WeakPolarHBondContact O-CB 3.22Å; Y91-E95 PolarHBondContact O-N 3.01Å; E95-G97 PolarHBondContact O-N 3.34Å
96	N	68	Low	78.9	Confident	145 Å²	145	89.6 Å²	89.6	78%	0.775	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	26.1	177.1	-62.9	-11.9	0	0	0	113.7	F94 S98	F94-N96 PolarHBondContact O-N 2.8Å; N96-S98 PolarHBondContact O-N 3.09Å; N96-S98 VanDerWaalsContact O-N 3.09Å
97	G	65.4	Low	78.5	Confident	56 Å²	56	97.9 Å²	97.9	58%	0.577	46%	0.46	S	S	*	.	S	Bend	trans	68.7	5.8	178.3	0	0	0	0	0	115.9	F94 E95 L99	F94-G97 PolarHBondContact O-N 2.82Å; F94-G97 VanDerWaalsContact O-N 3.15Å; E95-G97 PolarHBondContact O-N 3.34Å; G97-L99 PolarHBondContact O-N 3.4Å
98	S	74.7	Confident	78.2	Confident	52 Å²	52	98.4 Å²	98.4	36%	0.364	46%	0.463	S	S	.	.			trans	-73.9	73.5	179.8	-168.7	0	0	0	0	112.2	N96 L100	N96-S98 PolarHBondContact O-N 3.09Å; N96-S98 VanDerWaalsContact O-N 3.09Å; S98-L100 PolarHBondContact O-N 3.3Å
99	L	73.7	Confident	78	Confident	29 Å²	29	97.3 Å²	97.3	15%	0.152	46%	0.458	C	S	.	.			trans	-84.4	2.3	176.7	-60.7	176.3	0	0	0	112.9	Y13 A17 M21 F94 G97	Y13-L99 HydrophobicContact CD1-CB 3.67Å; Y13-L99 HydrophobicContact CD1-CD1 4.37Å; Y13-L99 HydrophobicContact CE1-CB 3.62Å; Y13-L99 HydrophobicContact CE1-CD1 3.84Å; Y13-L99 HydrophobicContact CE1-CG 4.41Å; A17-L99 HydrophobicContact CB-CB 4.17Å; A17-L99 HydrophobicContact CB-CD2 4.3Å; A17-L99 WeakPolarHBondContact CB-O 3.45Å; M21-L99 HydrophobicContact CE-CD1 4.1Å; M21-L99 HydrophobicContact CG-CD1 3.85Å; M21-L99 HydrophobicContact CG-CD2 3.75Å; M21-L99 HydrophobicContact CG-CG 4.47Å; M21-L99 HydrophobicContact SD-CD1 3.55Å; M21-L99 VanDerWaalsContact SD-CD1 3.55Å; M21-L99 HydrophobicContact SD-CD2 4.49Å; F94-L99 HydrophobicContact CD1-CD2 4.4Å; G97-L99 PolarHBondContact O-N 3.4Å
100	L	72.2	Confident	77.9	Confident	125 Å²	125	101 Å²	101	65%	0.654	47%	0.468	S	S	*	.	S	Bend	trans	-75.8	156.4	178.6	-63	179.8	0	0	0	112.4	S98 R102	S98-L100 PolarHBondContact O-N 3.3Å; L100-R102 PolarHBondContact O-N 3.31Å; L100-R102 VanDerWaalsContact O-N 3.12Å
101	R	70	Confident	77.7	Confident	228 Å²	228	106.2 Å²	106.2	86%	0.86	50%	0.499	S	S	*	.			trans	-66.3	108.6	177.1	178	-177.7	168.8	-168.9	-3.5	110.8
102	R	76.4	Confident	77.8	Confident	84 Å²	84	106.3 Å²	106.3	32%	0.317	51%	0.506	S	S	.	.			trans	-69.7	145.1	174.3	-71.1	-176.2	-82	130.7	-15.7	112.3	M93 F94 L100	M93-R102 PolarHBondContact SD-NH1 3.11Å; M93-R102 PolarHBondContact SD-NH2 3.01Å; F94-R102 VanDerWaalsContact CZ-NH2 3.27Å; L100-R102 PolarHBondContact O-N 3.31Å; L100-R102 VanDerWaalsContact O-N 3.12Å
103	R	73.6	Confident	77.9	Confident	263 Å²	263	106.5 Å²	106.5	99%	0.992	50%	0.5	S	S	*	.	S	Bend	trans	-70.8	-41.1	177.7	-71.4	-173.5	177.9	-176.9	-0.4	113.2
104	R	80.6	Confident	78.1	Confident	226 Å²	226	108.1 Å²	108.1	85%	0.853	51%	0.507	S	S	*	.	S	Bend	trans	-97.6	132.3	175.7	-71.8	-173	179.9	174.4	1.3	110.7
105	R	82.4	Confident	78.4	Confident	91 Å²	91	109.6 Å²	109.6	34%	0.343	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-77.2	136.1	175.1	-166.9	-177.9	-173.9	-141.5	-8	109.8	F64 N65 R107	F64-R105 PolarHBondContact O-NH2 3.03Å; N65-R105 VanDerWaalsContact CA-NH2 3.32Å; N65-R105 PolarHBondContact OD1-NE 2.67Å; N65-R105 PolarHBondContact OD1-NH2 2.97Å; R105-R107 PolarHBondContact O-N 3.07Å
106	F	81.7	Confident	79	Confident	27 Å²	27	105.3 Å²	105.3	12%	0.118	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-66.5	131.3	165.9	179.6	-104.5	0	0	0	109.1	D66 H87 C90 M93 L108	D66-F106 HydrophobicContact CB-CD1 4.11Å; D66-F106 HydrophobicContact CB-CE1 4.21Å; D66-F106 WeakPolarHBondContact O-CE1 3.31Å; H87-F106 HydrophobicContact CB-CE1 4.15Å; H87-F106 HydrophobicContact CB-CZ 4.38Å; H87-F106 AromaticContact CG-CZ 3.99Å; H87-F106 AromaticContact ND1-CZ 3.66Å; C90-F106 WeakPolarHBondContact SG-CD1 3.21Å; C90-F106 VanDerWaalsContact SG-CE1 3.56Å; C90-F106 WeakPolarHBondContact SG-CG 3.31Å; M93-F106 HydrophobicContact CE-CD2 3.82Å; M93-F106 HydrophobicContact CE-CE2 4.33Å; M93-F106 HydrophobicContact SD-CD2 4.35Å; F106-L108 HydrophobicContact CE1-CD1 4.48Å; F106-L108 HydrophobicContact CE1-CD2 3.8Å; F106-L108 HydrophobicContact CE1-CG 3.77Å; F106-L108 HydrophobicContact CZ-CD2 3.5Å; F106-L108 HydrophobicContact CZ-CG 4.02Å
107	R	84.6	Confident	79.6	Confident	180 Å²	180	103.9 Å²	103.9	68%	0.679	49%	0.493	S	S	*	.			trans	-135.4	135.6	171.5	-63.3	-171.5	-174.1	-163.3	1.3	107.6	D66 R105	D66-R107 WeakPolarHBondContact OD2-CA 3.42Å; R105-R107 PolarHBondContact O-N 3.07Å
108	L	84.2	Confident	80.3	Confident	33 Å²	33	106.3 Å²	106.3	17%	0.173	49%	0.493	C	S	.	.			trans	-79.3	155.8	168	-71.1	173.2	0	0	0	109.4	D66 F106 K113 L116	D66-L108 HydrophobicContact CB-CB 4.28Å; D66-L108 HydrophobicContact CB-CD1 4.08Å; D66-L108 HydrophobicContact CB-CG 3.94Å; D66-L108 PolarHBondContact OD2-N 3.47Å; F106-L108 HydrophobicContact CE1-CD1 4.48Å; F106-L108 HydrophobicContact CE1-CD2 3.8Å; F106-L108 HydrophobicContact CE1-CG 3.77Å; F106-L108 HydrophobicContact CZ-CD2 3.5Å; F106-L108 HydrophobicContact CZ-CG 4.02Å; L108-K113 HydrophobicContact CB-CB 4.26Å; L108-K113 HydrophobicContact CD1-CB 4.49Å; L108-L116 HydrophobicContact CD1-CD2 4.39Å
109	S	85.3	Confident	80.7	Confident	66 Å²	66	105.9 Å²	105.9	46%	0.462	49%	0.492	S	S	.	.			trans	-71.3	150.1	162.5	79.1	0	0	0	0	108.3	V111 T112 K113	S109-V111 VanDerWaalsContact C-N 3.27Å; S109-V111 PolarHBondContact O-N 3.29Å; S109-T112 PolarHBondContact N-OG1 3.04Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 3.26Å; S109-T112 WeakPolarHBondContact OG-CG2 3.37Å; S109-T112 PolarHBondContact OG-N 3.19Å; S109-T112 PolarHBondContact OG-OG1 3.41Å; S109-T112 VanDerWaalsContact OG-OG1 3.07Å; S109-K113 PolarHBondContact O-N 2.72Å
110	Q	84	Confident	80.9	Confident	144 Å²	144	105.8 Å²	105.8	67%	0.673	49%	0.492	S	S	*	.	H	α-helix	trans	-56.3	-44.2	-178.7	-179.7	161.9	-10.6	0	0	111.6	T112 K113 E114	Q110-T112 VanDerWaalsContact C-N 3.34Å; Q110-T112 PolarHBondContact O-N 3.13Å; Q110-K113 WeakPolarHBondContact O-CB 3.46Å; Q110-K113 PolarHBondContact O-N 3.4Å; Q110-E114 HydrophobicContact CG-CG 4.38Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.22Å; Q110-E114 PolarHBondContact NE2-OE1 2.89Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 2.69Å
111	V	82.1	Confident	81	Confident	109 Å²	109	101.2 Å²	101.2	66%	0.661	47%	0.472	S	S	*	.	H	α-helix	trans	-54.6	-45.4	174	-177	0	0	0	0	112.2	S109 K113 A115	S109-V111 VanDerWaalsContact C-N 3.27Å; S109-V111 PolarHBondContact O-N 3.29Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.39Å; V111-A115 VanDerWaalsContact O-CB 3.25Å; V111-A115 WeakPolarHBondContact O-CB 3.4Å; V111-A115 PolarHBondContact O-N 2.98Å
112	T	85.3	Confident	81	Confident	63 Å²	63	94.9 Å²	94.9	39%	0.387	46%	0.463	S	S	.	.	H	α-helix	trans	-70.4	-28	178	53.2	0	0	0	0	113.7	S109 Q110 L116	S109-T112 PolarHBondContact N-OG1 3.04Å; S109-T112 PolarHBondContact O-N 3.25Å; S109-T112 PolarHBondContact O-OG1 3.26Å; S109-T112 WeakPolarHBondContact OG-CG2 3.37Å; S109-T112 PolarHBondContact OG-N 3.19Å; S109-T112 PolarHBondContact OG-OG1 3.41Å; S109-T112 VanDerWaalsContact OG-OG1 3.07Å; Q110-T112 VanDerWaalsContact C-N 3.34Å; Q110-T112 PolarHBondContact O-N 3.13Å; T112-L116 VanDerWaalsContact O-CB 3.22Å; T112-L116 WeakPolarHBondContact O-CB 3.38Å; T112-L116 PolarHBondContact O-N 3.24Å; T112-L116 VanDerWaalsContact O-N 3.11Å
113	K	83.9	Confident	80.4	Confident	95 Å²	95	96.7 Å²	96.7	41%	0.413	48%	0.479	S	S	.	.	H	α-helix	trans	-75.5	-43	179.2	-176.6	171.3	-177.2	161.9	0	111.2	D66 L108 S109 Q110 V111 Q117	D66-K113 IonicContact OD1-NZ 2.62Å; D66-K113 PolarHBondContact OD1-NZ 3.46Å; L108-K113 HydrophobicContact CB-CB 4.26Å; L108-K113 HydrophobicContact CD1-CB 4.49Å; S109-K113 PolarHBondContact O-N 2.72Å; Q110-K113 WeakPolarHBondContact O-CB 3.46Å; Q110-K113 PolarHBondContact O-N 3.4Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.39Å; K113-Q117 WeakPolarHBondContact O-CB 3.25Å; K113-Q117 PolarHBondContact O-N 3.06Å
114	E	82.7	Confident	79.5	Confident	90 Å²	90	87.1 Å²	87.1	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-53.3	173.5	-70.7	164.3	-179.4	0	0	110	Q110 L116 Q117 D118	Q110-E114 HydrophobicContact CG-CG 4.38Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.22Å; Q110-E114 PolarHBondContact NE2-OE1 2.89Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 2.69Å; E114-L116 VanDerWaalsContact C-N 3.27Å; E114-L116 PolarHBondContact O-N 3.17Å; E114-Q117 CarbonylContact O-C 3.54Å; E114-Q117 WeakPolarHBondContact O-CA 3.28Å; E114-Q117 WeakPolarHBondContact O-CB 3.06Å; E114-Q117 PolarHBondContact O-N 2.96Å; E114-D118 PolarHBondContact O-N 2.75Å
115	A	83.6	Confident	78.5	Confident	56 Å²	56	78.6 Å²	78.6	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-58	-34.9	178	0	0	0	0	0	113.9	V111 A119	V111-A115 VanDerWaalsContact O-CB 3.25Å; V111-A115 WeakPolarHBondContact O-CB 3.4Å; V111-A115 PolarHBondContact O-N 2.98Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 2.94Å; A115-A119 PolarHBondContact O-N 2.84Å
116	L	83.7	Confident	77	Confident	50 Å²	50	77.3 Å²	77.3	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-69.5	-40.1	173.5	175.4	63	0	0	0	112.1	I69 L108 T112 E114 L120	I69-L116 HydrophobicContact CD1-CD1 4.4Å; I69-L116 HydrophobicContact CD1-CD2 3.71Å; I69-L116 HydrophobicContact CG1-CD2 3.92Å; I69-L116 HydrophobicContact CG2-CD2 4.38Å; L108-L116 HydrophobicContact CD1-CD2 4.39Å; T112-L116 VanDerWaalsContact O-CB 3.22Å; T112-L116 WeakPolarHBondContact O-CB 3.38Å; T112-L116 PolarHBondContact O-N 3.24Å; T112-L116 VanDerWaalsContact O-N 3.11Å; E114-L116 VanDerWaalsContact C-N 3.27Å; E114-L116 PolarHBondContact O-N 3.17Å; L116-L120 HydrophobicContact CD1-CD1 4.35Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.94Å
117	Q	81.7	Confident	75.4	Confident	115 Å²	115	84 Å²	84	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-39.5	176.4	-174.9	165.9	2.3	0	0	111.5	K113 E114 L120 A121 L126	K113-Q117 WeakPolarHBondContact O-CB 3.25Å; K113-Q117 PolarHBondContact O-N 3.06Å; E114-Q117 CarbonylContact O-C 3.54Å; E114-Q117 WeakPolarHBondContact O-CA 3.28Å; E114-Q117 WeakPolarHBondContact O-CB 3.06Å; E114-Q117 PolarHBondContact O-N 2.96Å; Q117-L120 PolarHBondContact O-N 2.8Å; Q117-A121 PolarHBondContact O-N 3.44Å; Q117-L126 HydrophobicContact CG-CD1 4.39Å
118	D	80.3	Confident	73.6	Confident	106 Å²	106	80.3 Å²	80.3	57%	0.567	46%	0.463	S	S	*	.	H	α-helix	trans	-67.7	-40.8	175.6	-67.2	-24.2	0	0	0	111.7	E114 L120 A121 S122	E114-D118 PolarHBondContact O-N 2.75Å; D118-L120 VanDerWaalsContact C-N 3.32Å; D118-L120 PolarHBondContact O-N 3.4Å; D118-A121 CarbonylContact O-C 3.54Å; D118-A121 WeakPolarHBondContact O-CA 3.26Å; D118-A121 WeakPolarHBondContact O-CB 3.34Å; D118-A121 PolarHBondContact O-N 3.06Å; D118-S122 PolarHBondContact O-N 3.44Å; D118-S122 PolarHBondContact O-OG 3.36Å
119	A	81.8	Confident	72.1	Confident	43 Å²	43	84.6 Å²	84.6	36%	0.355	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-35.2	173.8	0	0	0	0	0	112.7	A115 A121 S122 N123	A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 2.94Å; A115-A119 PolarHBondContact O-N 2.84Å; A119-A121 VanDerWaalsContact C-N 3.31Å; A119-S122 PolarHBondContact O-OG 2.89Å; A119-N123 VanDerWaalsContact O-CG 3.23Å; A119-N123 PolarHBondContact O-N 3.09Å; A119-N123 PolarHBondContact O-ND2 3.05Å
120	L	79.9	Confident	70.3	Confident	28 Å²	28	87.6 Å²	87.6	15%	0.147	51%	0.508	C	S	.	.	H	α-helix	trans	-71	-27	171.6	-69.9	167.8	0	0	0	112.3	I69 I71 L116 Q117 D118 M125 L126	I69-L120 HydrophobicContact CG2-CD1 3.52Å; I71-L120 HydrophobicContact CG1-CD2 4.11Å; L116-L120 HydrophobicContact CD1-CD1 4.35Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.94Å; Q117-L120 PolarHBondContact O-N 2.8Å; D118-L120 VanDerWaalsContact C-N 3.32Å; D118-L120 PolarHBondContact O-N 3.4Å; L120-M125 WeakPolarHBondContact O-CB 3.08Å; L120-L126 PolarHBondContact O-N 3.21Å
121	A	73.9	Confident	68.4	Low	29 Å²	29	91.9 Å²	91.9	24%	0.24	52%	0.518	C	S	.	.	I	π-helix	trans	-74.1	-51.3	172.3	0	0	0	0	0	112	Q117 D118 A119 N123 G124 M125 L126	Q117-A121 PolarHBondContact O-N 3.44Å; D118-A121 CarbonylContact O-C 3.54Å; D118-A121 WeakPolarHBondContact O-CA 3.26Å; D118-A121 WeakPolarHBondContact O-CB 3.34Å; D118-A121 PolarHBondContact O-N 3.06Å; A119-A121 VanDerWaalsContact C-N 3.31Å; A121-N123 PolarHBondContact O-N 3.01Å; A121-G124 PolarHBondContact O-N 2.85Å; A121-M125 PolarHBondContact O-N 2.82Å; A121-L126 HydrophobicContact CB-CB 3.84Å; A121-L126 HydrophobicContact CB-CD1 4.01Å; A121-L126 HydrophobicContact CB-CG 4.36Å
122	S	69.4	Low	66.5	Low	94 Å²	94	93.6 Å²	93.6	66%	0.657	52%	0.523	S	S	*	.	I	π-helix	trans	-61.2	-30.3	-174.6	66.7	0	0	0	0	113.4	D118 A119 G124	D118-S122 PolarHBondContact O-N 3.44Å; D118-S122 PolarHBondContact O-OG 3.36Å; A119-S122 PolarHBondContact O-OG 2.89Å; S122-G124 PolarHBondContact O-N 3.42Å
123	N	63.1	Low	64.5	Low	123 Å²	123	101.4 Å²	101.4	66%	0.658	55%	0.546	S	S	*	.	I	π-helix	trans	-73.1	27.6	176.3	-70.2	-22.5	0	0	0	113.8	A119 A121 M125	A119-N123 VanDerWaalsContact O-CG 3.23Å; A119-N123 PolarHBondContact O-N 3.09Å; A119-N123 PolarHBondContact O-ND2 3.05Å; A121-N123 PolarHBondContact O-N 3.01Å; N123-M125 PolarHBondContact O-N 3.2Å
124	G	55.9	Low	62.4	Low	61 Å²	61	103.6 Å²	103.6	63%	0.629	56%	0.562	S	S	*	*	I	π-helix	trans	64.7	16.8	-179.6	0	0	0	0	0	114.3	A121 S122	A121-G124 PolarHBondContact O-N 2.85Å; S122-G124 PolarHBondContact O-N 3.42Å
125	M	58.4	Low	60.2	Low	48 Å²	48	111.3 Å²	111.3	24%	0.236	59%	0.587	C	S	.	*	I	π-helix	trans	-103.4	-30.3	-167.7	-114.9	-175.4	177.6	0	0	113.2	I71 P72 R74 L120 A121 N123	I71-M125 HydrophobicContact CG2-CE 3.9Å; I71-M125 HydrophobicContact CG2-SD 3.64Å; P72-M125 VanDerWaalsContact CB-O 3.26Å; P72-M125 WeakPolarHBondContact CB-O 3.39Å; P72-M125 VanDerWaalsContact CG-C 3.41Å; P72-M125 HydrophobicContact CG-CB 3.66Å; P72-M125 HydrophobicContact CG-CG 3.97Å; P72-M125 WeakPolarHBondContact CG-O 3.48Å; P72-M125 HydrophobicContact CG-SD 4.45Å; P72-M125 WeakPolarHBondContact O-CE 3.2Å; R74-M125 HydrophobicContact CG-CE 3.82Å; R74-M125 HydrophobicContact CG-CG 4.44Å; L120-M125 WeakPolarHBondContact O-CB 3.08Å; A121-M125 PolarHBondContact O-N 2.82Å; N123-M125 PolarHBondContact O-N 3.2Å
126	L	52.4	Low	58.3	Low	63 Å²	63	116.8 Å²	116.8	33%	0.33	60%	0.603	S	S	.	*	S	Bend	trans	-110.3	125	163.6	-57.5	165.6	0	0	0	108.8	P72 Q117 L120 A121	P72-L126 HydrophobicContact CB-CD2 3.81Å; P72-L126 HydrophobicContact CG-CD2 3.63Å; P72-L126 HydrophobicContact CG-CG 3.94Å; Q117-L126 HydrophobicContact CG-CD1 4.39Å; L120-L126 PolarHBondContact O-N 3.21Å; A121-L126 HydrophobicContact CB-CB 3.84Å; A121-L126 HydrophobicContact CB-CD1 4.01Å; A121-L126 HydrophobicContact CB-CG 4.36Å
127	Q	47.1	Very low	56.2	Low	168 Å²	168	122.8 Å²	122.8	79%	0.785	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-63.4	134.8	159.7	-64.6	-177.2	18.7	0	0	107.9
128	P	47.8	Very low	53.9	Low	103 Å²	103	122.3 Å²	122.3	67%	0.669	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-60.2	143.4	171	26.8	-33.6	0	0	0	109	V130	P128-V130 PolarHBondContact O-N 3.25Å; P128-V130 VanDerWaalsContact O-N 3.09Å
129	P	51.2	Low	52	Low	122 Å²	122	124.9 Å²	124.9	79%	0.792	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.2	120.1	177.6	24.9	-33	0	0	0	109.2	R131	P129-R131 PolarHBondContact O-N 3.48Å
130	V	47.7	Very low	49.8	Very low	130 Å²	130	130.1 Å²	130.1	79%	0.788	68%	0.675	S	S	*	*			trans	-60.6	104.4	177.2	-175.3	0	0	0	0	107.8	P128 N132	P128-V130 PolarHBondContact O-N 3.25Å; P128-V130 VanDerWaalsContact O-N 3.09Å; V130-N132 PolarHBondContact O-N 3.45Å
131	R	44.3	Very low	48.1	Very low	233 Å²	233	134.2 Å²	134.2	88%	0.879	71%	0.706	S	S	*	*			trans	-75.6	78.2	-173.4	-165.9	178.5	-168.8	176.5	4.7	109.4	P129 R133	P129-R131 PolarHBondContact O-N 3.48Å; R131-R133 VanDerWaalsContact C-N 3.34Å; R131-R133 PolarHBondContact O-N 3.18Å
132	N	42.3	Very low	46.8	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	74%	0.736	S	S	*	*			trans	-70.4	89.7	-174.7	-154.4	4.6	0	0	0	110.3	V130 N134	V130-N132 PolarHBondContact O-N 3.45Å; N132-N134 PolarHBondContact O-N 3.11Å
133	R	43.3	Very low	45.9	Very low	228 Å²	228	142.1 Å²	142.1	86%	0.86	74%	0.743	S	S	*	*			trans	-84.2	56.3	-171.6	-165.5	-172.5	-164.8	170.4	4.1	111	R131	R131-R133 VanDerWaalsContact C-N 3.34Å; R131-R133 PolarHBondContact O-N 3.18Å
134	N	39.3	Very low	45	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	75%	0.747	S	S	*	*			trans	-168.4	93.4	170.4	-96.2	-21.4	0	0	0	112	N132	N132-N134 PolarHBondContact O-N 3.11Å
135	R	37.6	Very low	44.1	Very low	251 Å²	251	146.5 Å²	146.5	95%	0.947	75%	0.751	S	S	*	*			trans	-168.4	117.8	139.5	-115.1	176.1	177.9	173.1	-1.8	110.6
136	Q	43.9	Very low	43.2	Very low	171 Å²	171	151.1 Å²	151.1	80%	0.799	78%	0.781	S	S	*	*			trans	-79.6	148.5	163	-74.4	148.9	-66.1	0	0	109.3
137	Q	39.6	Very low	42.4	Very low	176 Å²	176	155.8 Å²	155.8	82%	0.822	81%	0.805	S	S	*	*	S	Bend	trans	68.1	137.2	159.6	-71.2	163	-51.1	0	0	119.6
138	S	33	Very low	41.9	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	81%	0.808	S	S	*	*			trans	44.5	104.1	157.6	55.9	0	0	0	0	118.9
139	D	40.4	Very low	41.2	Very low	161 Å²	161	156.7 Å²	156.7	86%	0.861	82%	0.818	S	S	*	*				-166	157	106.9	-103.5	-23.1	0	0	0	112.4
140	D	36.6	Very low	40.4	Very low	153 Å²	153	156.5 Å²	156.5	82%	0.818	82%	0.818	S	S	*	*			trans	-70.1	138.1	-175.7	-70.5	-65.7	0	0	0	114
141	S	44.3	Very low	40	Very low	113 Å²	113	159.1 Å²	159.1	79%	0.79	82%	0.822	S	S	*	*			trans	171.8	109.9	130.8	40.3	0	0	0	0	112.6
142	L	45	Very low	39.9	Very low	165 Å²	165	158 Å²	158	86%	0.864	82%	0.823	S	S	*	*			trans	-79.2	124.3	161.1	-70.4	168.1	0	0	0	109	I144	L142-I144 VanDerWaalsContact C-N 3.33Å; L142-I144 PolarHBondContact O-N 3.35Å
143	P	50.3	Low	39.5	Very low	125 Å²	125	154.2 Å²	154.2	81%	0.812	82%	0.819	S	S	*	*			trans	-75.6	88.2	169.7	29.7	-31.9	0	0	0	110.4	D145	P143-D145 PolarHBondContact O-N 3.18Å
144	I	45.2	Very low	39.2	Very low	145 Å²	145	152.1 Å²	152.1	74%	0.744	82%	0.819	S	S	*	*	S	Bend	trans	3.6	106	138.5	-59	173.6	0	0	0	111.9	L142	L142-I144 VanDerWaalsContact C-N 3.33Å; L142-I144 PolarHBondContact O-N 3.35Å
145	D	36.6	Very low	39.2	Very low	131 Å²	131	150.7 Å²	150.7	70%	0.701	82%	0.818	S	S	*	*				-167.2	50	91	-106	-32.4	0	0	0	112.9	P143	P143-D145 PolarHBondContact O-N 3.18Å
146	V	39.1	Very low	39.7	Very low	145 Å²	145	146.1 Å²	146.1	88%	0.879	81%	0.81	S	S	*	*	S	Bend	trans	-91.8	0.7	178.4	176.6	0	0	0	0	112.9
147	L	35.3	Very low	39.6	Very low	160 Å²	160	143.8 Å²	143.8	84%	0.838	81%	0.81	S	S	*	*	S	Bend	trans	-145.3	44	-165.2	-141.3	117.1	0	0	0	116.5
148	L	37.1	Very low	39.6	Very low	159 Å²	159	140 Å²	140	83%	0.832	80%	0.803	S	S	*	*			trans	-148.7	81.8	170.3	-156.1	67.2	0	0	0	115.5
149	C	33.6	Very low	39.9	Very low	131 Å²	131	142 Å²	142	89%	0.885	80%	0.804	S	S	*	*	S	Bend	trans	-154.5	10.6	156.2	-152	0	0	0	0	114
150	C	34.5	Very low	40	Very low	119 Å²	119	141.7 Å²	141.7	80%	0.804	80%	0.802	S	S	*	*	S	Bend	trans	-131	83.8	179	-76	0	0	0	0	110.3
151	Q	38.2	Very low	40.2	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	79%	0.793	S	S	*	*			trans	165.1	150.3	147.6	-91.7	160.6	37.3	0	0	110.3
152	K	42.2	Very low	40	Very low	208 Å²	208	141.6 Å²	141.6	90%	0.904	79%	0.794	S	S	*	*			trans	69.3	107.1	-174.7	-46.6	178.6	-175.6	-176.1	0	113
153	G	34.1	Very low	39.9	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	80%	0.796	S	S	*	*			cis	93.5	87.9	7.5	0	0	0	0	0	111.9
154	E	37.7	Very low	39.5	Very low	184 Å²	184	140.9 Å²	140.9	86%	0.86	79%	0.786	S	S	*	*			trans	-150.9	155.5	163.9	-82.1	-53.6	136.7	0	0	108.3
155	P	40.1	Very low	39.1	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	79%	0.793	S	S	*	*			trans	-98.4	176.8	-155	38.3	-38.5	0	0	0	117.6
156	I	46.8	Very low	39.4	Very low	155 Å²	155	144.2 Å²	144.2	80%	0.795	80%	0.798	S	S	*	*			trans	-67	150.8	-176.7	-58.5	157.5	0	0	0	112.4
157	P	42.4	Very low	39.6	Very low	122 Å²	122	144.6 Å²	144.6	79%	0.792	79%	0.794	S	S	*	*				-116.8	145.3	125.5	-8.6	27.7	0	0	0	114.6
158	S	39.6	Very low	39.8	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	79%	0.793	S	S	*	*			trans	-51.8	157.5	173.8	51.7	0	0	0	0	115.2
159	L	40.1	Very low	40.2	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	78%	0.784	S	S	*	*				-178.9	127.6	118.4	-94.6	164.7	0	0	0	111
160	L	40.6	Very low	40.8	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	78%	0.782	S	S	*	*			trans	57.4	145.8	150.5	-53.8	167.9	0	0	0	118.9
161	S	40.8	Very low	41.9	Very low	91 Å²	91	142.6 Å²	142.6	64%	0.636	78%	0.778	S	S	*	*			cis	-167	144	-15.6	45.7	0	0	0	0	107.3
162	E	40.9	Very low	42.4	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	78%	0.775	S	S	*	*			trans	29.3	120.6	146.8	-52.7	172.4	154.5	0	0	118.1
163	T	43.4	Very low	43.4	Very low	145 Å²	145	135.5 Å²	135.5	89%	0.89	77%	0.767	S	S	*	*				-169.4	147.4	73	27.5	0	0	0	0	114
164	H	41.9	Very low	44.3	Very low	130 Å²	130	139.2 Å²	139.2	60%	0.602	77%	0.771	S	S	*	*			trans	-53.9	143.1	175.1	174.8	-103.3	0	0	0	117.5	R166	H164-R166 PolarHBondContact CE1-NE 3.06Å; H164-R166 WeakPolarHBondContact NE2-CG 3.2Å; H164-R166 PolarHBondContact NE2-NE 3.37Å; H164-R166 VanDerWaalsContact NE2-NE 3.15Å
165	C	36.8	Very low	45.4	Very low	134 Å²	134	136.2 Å²	136.2	91%	0.905	77%	0.767	S	S	*	*			trans	-143.9	142	151	-97.4	0	0	0	0	110.3
166	R	43.1	Very low	46.2	Very low	211 Å²	211	138.2 Å²	138.2	80%	0.796	78%	0.777	S	S	*	*			trans	-99	164.8	-164.7	-96.3	176	178.9	151.5	1.6	115.4	H164	H164-R166 PolarHBondContact CE1-NE 3.06Å; H164-R166 WeakPolarHBondContact NE2-CG 3.2Å; H164-R166 PolarHBondContact NE2-NE 3.37Å; H164-R166 VanDerWaalsContact NE2-NE 3.15Å
167	I	42.4	Very low	46.3	Very low	154 Å²	154	134.8 Å²	134.8	79%	0.79	77%	0.772	S	S	*	*			trans	-58.4	147.9	170.8	-65.3	154.4	0	0	0	111.9
168	D	39.8	Very low	46.8	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	78%	0.777	S	S	*	*			trans	-162.5	159.3	135.1	-112.5	-33.4	0	0	0	115.2
169	S	45.9	Very low	47.2	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	78%	0.782	S	S	*	*			trans	94.7	100.2	162	-57	0	0	0	0	121.9
170	L	45.8	Very low	47.6	Very low	161 Å²	161	135.8 Å²	135.8	84%	0.843	79%	0.788	S	S	*	*				65.2	135.5	117.6	-64.8	158.4	0	0	0	118.9
171	V	56.7	Low	48.3	Very low	119 Å²	119	135.2 Å²	135.2	72%	0.721	79%	0.79	S	S	*	*			cis	-156.6	153.6	17.7	-173.4	0	0	0	0	110.1
172	P	49.7	Very low	49	Very low	121 Å²	121	134.4 Å²	134.4	79%	0.786	80%	0.796	S	S	*	*			trans	-126.6	141.8	163	37.8	-24.8	0	0	0	116.2
173	V	62.2	Low	49.7	Very low	122 Å²	122	131.8 Å²	131.8	74%	0.739	79%	0.794	S	S	*	*			trans	-163	159.9	168.5	-77.4	0	0	0	0	109.4
174	N	54	Low	50	Low	145 Å²	145	133 Å²	133	78%	0.775	79%	0.794	S	S	*	*			cis	-159.7	148.3	-25.4	-99.5	-9.5	0	0	0	108.5
175	P	60.5	Low	50.8	Low	121 Å²	121	132.7 Å²	132.7	79%	0.786	81%	0.807	S	S	*	*			trans	-105.6	152.1	-179.6	38.3	-31.7	0	0	0	114.5
176	V	56.5	Low	51.6	Low	153 Å²	153	135 Å²	135	93%	0.927	80%	0.801	S	S	*	*			trans	-141.6	145.3	165.9	172.3	0	0	0	0	110.2
177	A	49.9	Very low	52	Low	83 Å²	83	136.6 Å²	136.6	69%	0.686	81%	0.808	S	S	*	*			trans	-101.1	166.9	-172.8	0	0	0	0	0	113.9
178	S	51.7	Low	52.4	Low	129 Å²	129	133.8 Å²	133.8	90%	0.902	80%	0.801	S	S	*	*				-174.5	147.8	123.5	-82.6	0	0	0	0	113.7
179	T	49.3	Very low	53	Low	125 Å²	125	134.5 Å²	134.5	77%	0.767	80%	0.803	S	S	*	*			trans	-99.5	157.5	-176.4	-39.3	0	0	0	0	110.9
180	C	48.2	Very low	53.2	Low	132 Å²	132	133.7 Å²	133.7	89%	0.892	81%	0.81	S	S	*	*			trans	-173.9	164.9	134.3	-97.1	0	0	0	0	112.7
181	V	55.7	Low	53.3	Low	143 Å²	143	135.3 Å²	135.3	87%	0.867	81%	0.813	S	S	*	*			trans	-124.8	159.5	-161.2	-69.5	0	0	0	0	113.4
182	G	53.8	Low	53	Low	74 Å²	74	138.1 Å²	138.1	76%	0.763	82%	0.818	S	S	*	*			trans	162.9	124.2	167.8	0	0	0	0	0	115.3
183	P	56.9	Low	53.1	Low	118 Å²	118	135.8 Å²	135.8	77%	0.766	81%	0.805	S	S	*	*			trans	-119.1	167.2	-175.7	41.4	-32.6	0	0	0	116.6
184	L	49.7	Very low	52.1	Low	170 Å²	170	135.2 Å²	135.2	89%	0.89	81%	0.806	S	S	*	*			trans	60.5	119.1	155.4	-98	76.6	0	0	0	121
185	S	59.3	Low	51.3	Low	124 Å²	124	139.8 Å²	139.8	87%	0.867	81%	0.813	S	S	*	*				-169.7	178.9	115	-159.4	0	0	0	0	112.1
186	K	52.9	Low	50.7	Low	182 Å²	182	138.3 Å²	138.3	79%	0.791	81%	0.81	S	S	*	*			trans	-110.4	169.7	-156.3	-57.7	172.9	179	174.8	0	115.3
187	R	50.6	Low	50.8	Low	246 Å²	246	139.1 Å²	139.1	93%	0.928	80%	0.801	S	S	*	*			trans	81.6	157.4	161.2	-60.8	-179	175.3	-160.3	-1	116.7
188	S	50.8	Low	50.8	Low	94 Å²	94	141.7 Å²	141.7	66%	0.657	80%	0.804	S	S	*	*			cis	-176.4	150	-32.3	-165.1	0	0	0	0	109
189	I	52.6	Low	50.9	Low	169 Å²	169	143.5 Å²	143.5	87%	0.867	80%	0.798	S	S	*	*			trans	68.4	133.5	162.8	-64	147.6	0	0	0	117.6
190	G	49.9	Very low	50.8	Low	76 Å²	76	145 Å²	145	78%	0.784	80%	0.796	S	S	*	*			trans	157.7	86.1	168.3	0	0	0	0	0	113.1
191	Q	47.9	Very low	50.9	Low	195 Å²	195	146.4 Å²	146.4	91%	0.911	79%	0.794	S	S	*	*			trans	-86.9	131.7	169.9	-70.4	-179.7	-33.5	0	0	110.2
192	H	51.2	Low	50.8	Low	178 Å²	178	144.7 Å²	144.7	82%	0.824	78%	0.784	S	S	*	*			trans	-155.4	134.8	153.7	-144.9	-100.6	0	0	0	114.7
193	S	51.3	Low	50.8	Low	73 Å²	73	150.3 Å²	150.3	51%	0.51	79%	0.787	S	S	.	*			trans	36.6	115.8	155.2	65.1	0	0	0	0	122.1
194	S	41.8	Very low	50.7	Low	109 Å²	109	156.6 Å²	156.6	76%	0.762	80%	0.796	S	S	*	*				43.6	110.8	115.6	-162.9	0	0	0	0	119.3
195	W	37.9	Very low	51.1	Low	242 Å²	242	158.4 Å²	158.4	92%	0.917	80%	0.796	S	S	*	*			trans	-124.5	109.6	154.6	-77.2	69.7	0	0	0	108.8
196	A	47.8	Very low	51.3	Low	89 Å²	89	161.9 Å²	161.9	74%	0.736	80%	0.796	S	S	*	*			trans	-114.8	118.3	164	0	0	0	0	0	107.2
197	K	58.1	Low	51.7	Low	171 Å²	171	158.6 Å²	158.6	74%	0.743	80%	0.796	S	S	*	*			trans	-162.1	146.2	169.6	-111.2	173.8	-171.1	-179.5	0	110.9
198	D	50.5	Low	52.2	Low	137 Å²	137	154.5 Å²	154.5	73%	0.733	79%	0.785	S	S	*	*			trans	63.8	149.1	159.4	-40.1	-26.3	0	0	0	119
199	E	53.2	Low	53	Low	167 Å²	167	154.7 Å²	154.7	78%	0.78	78%	0.782	S	S	*	*			cis	-167.1	147.2	-38.3	-178.7	159.8	175.4	0	0	105.7
200	Q	47.1	Very low	53.6	Low	155 Å²	155	153.9 Å²	153.9	72%	0.724	78%	0.778	S	S	*	*			trans	-9.2	118.8	166.3	-57.7	-68.4	-11	0	0	118.2
201	L	49.5	Very low	54.5	Low	163 Å²	163	158.8 Å²	158.8	85%	0.853	78%	0.781	S	S	*	*			trans	-135.2	108	139.2	-167.4	62.6	0	0	0	111.5
202	T	54.7	Low	55.1	Low	106 Å²	106	153.2 Å²	153.2	65%	0.65	76%	0.763	S	S	*	*			trans	-73.8	136.1	179.2	56.6	0	0	0	0	111.4
203	K	54.3	Low	55.5	Low	192 Å²	192	151.4 Å²	151.4	84%	0.835	76%	0.759	S	S	*	*			trans	-170.2	90.5	149.3	-103.9	147	-169.2	173.3	0	111.2	K205	K203-K205 PolarHBondContact O-N 3.29Å; K203-K205 VanDerWaalsContact O-N 3.1Å
204	R	53.4	Low	55.6	Low	251 Å²	251	156.5 Å²	156.5	95%	0.947	78%	0.78	S	S	*	*			trans	-55.7	111	163	-88.6	176.6	160.1	173.7	-7.3	109.1	K206	R204-K206 PolarHBondContact O-N 2.9Å
205	K	58.1	Low	56	Low	208 Å²	208	158.5 Å²	158.5	90%	0.904	82%	0.817	S	S	*	*			trans	-76.6	110.1	158.2	-84.2	-179.7	174.8	174.7	0	107.8	K203	K203-K205 PolarHBondContact O-N 3.29Å; K203-K205 VanDerWaalsContact O-N 3.1Å
206	K	63.5	Low	56.9	Low	197 Å²	197	154.3 Å²	154.3	86%	0.857	81%	0.812	S	S	*	*			trans	-67.1	131.7	169.5	-65.6	-179	178.3	-178.8	0	108.4	R204	R204-K206 PolarHBondContact O-N 2.9Å
207	S	61.1	Low	57.4	Low	112 Å²	112	157.7 Å²	157.7	78%	0.783	82%	0.816	S	S	*	*			trans	-65.3	138.1	163.3	49.8	0	0	0	0	109.1
208	F	60.8	Low	57.4	Low	160 Å²	160	157 Å²	157	70%	0.702	82%	0.82	S	S	*	*			trans	-108.9	110.1	175	-167.1	-96.5	0	0	0	108.4	S212	F208-S212 WeakPolarHBondContact CZ-OG 2.86Å
209	T	69	Low	57.8	Low	99 Å²	99	158.2 Å²	158.2	61%	0.607	83%	0.825	S	S	*	*			trans	-86.7	150.3	176.8	-48.6	0	0	0	0	109.2	E211	T209-E211 PolarHBondContact O-N 3Å
210	I	64.7	Low	58.1	Low	151 Å²	151	157.6 Å²	157.6	77%	0.774	83%	0.828	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-3.8	-164.4	-71.4	171.2	0	0	0	114.8	S212	I210-S212 PolarHBondContact O-N 3.25Å
211	E	68.5	Low	58.8	Low	179 Å²	179	157.8 Å²	157.8	84%	0.836	84%	0.835	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-7	-168.3	-63.2	-173.5	148.5	0	0	116.3	T209 L213	T209-E211 PolarHBondContact O-N 3Å; E211-L213 PolarHBondContact O-N 3.19Å
212	S	61	Low	59.5	Low	79 Å²	79	157.4 Å²	157.4	55%	0.552	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	34	-174.7	81.6	0	0	0	0	115	F208 I210	F208-S212 WeakPolarHBondContact CZ-OG 2.86Å; I210-S212 PolarHBondContact O-N 3.25Å
213	L	58.7	Low	59.8	Low	139 Å²	139	161.4 Å²	161.4	73%	0.728	85%	0.848	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	12.4	-173.6	-98.9	165.2	0	0	0	114.8	E211	E211-L213 PolarHBondContact O-N 3.19Å
214	L	54	Low	60.3	Low	181 Å²	181	158.8 Å²	158.8	95%	0.948	85%	0.849	S	S	*	*			trans	-134.1	54.3	176.3	-68.7	175.7	0	0	0	111.6
215	G	50.7	Low	60.9	Low	150 Å²	150	150.5 Å²	150.5	100%	1.546	84%	0.84	S	S	*	*			trans	-125.3	0	165.2	0	0	0	0	0	109.5

Retrieved 215 of 215 residues in 374.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).