A0A913KVP4_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KVP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	72.3	Confident	76.8	Confident	198 Å²	198	91.7 Å²	91.7	98%	0.975	50%	0.5	S	S	*	.				0	-51.8	0	-167	172.9	-92.2	0	0	111.6	E3 Y4 L5	M1-E3 PolarHBondContact O-N 3Å; M1-Y4 PolarHBondContact O-N 2.76Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 WeakPolarHBondContact O-CG 3.27Å; M1-L5 PolarHBondContact O-N 3.24Å
2	A	77.5	Confident	76.8	Confident	78 Å²	78	96.3 Å²	96.3	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-56.3	-44.6	178.3	0	0	0	0	0	114.1	Y4 L5 A6	A2-Y4 VanDerWaalsContact C-N 3.33Å; A2-Y4 PolarHBondContact O-N 2.97Å; A2-L5 PolarHBondContact O-N 3Å; A2-A6 WeakPolarHBondContact O-CB 3.39Å; A2-A6 PolarHBondContact O-N 3.46Å
3	E	79.2	Confident	77.2	Confident	173 Å²	173	101.2 Å²	101.2	81%	0.808	53%	0.529	S	S	*	.	H	α-helix	trans	-60.8	-41.1	177.5	-65.7	-179.9	165.7	0	0	112.6	M1 A6 S7	M1-E3 PolarHBondContact O-N 3Å; E3-A6 PolarHBondContact O-N 2.91Å; E3-S7 WeakPolarHBondContact O-CB 3.37Å; E3-S7 PolarHBondContact O-N 2.86Å
4	Y	77.8	Confident	77.7	Confident	151 Å²	151	94.6 Å²	94.6	59%	0.592	50%	0.495	S	S	*	.	H	α-helix	trans	-62.8	-46.5	175.5	179.4	-103.1	0	0	0	111	M1 A2 A6 S7 I8	M1-Y4 PolarHBondContact O-N 2.76Å; A2-Y4 VanDerWaalsContact C-N 3.33Å; A2-Y4 PolarHBondContact O-N 2.97Å; Y4-A6 PolarHBondContact O-N 3.37Å; Y4-S7 PolarHBondContact O-N 3.29Å; Y4-S7 VanDerWaalsContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.39Å; Y4-I8 HydrophobicContact CD1-CD1 4.36Å; Y4-I8 HydrophobicContact CE1-CD1 3.95Å; Y4-I8 HydrophobicContact CE1-CG2 4.33Å; Y4-I8 HydrophobicContact CE2-CG2 4.15Å; Y4-I8 PolarHBondContact O-N 3.38Å; Y4-I8 VanDerWaalsContact O-N 3.14Å
5	L	70.9	Confident	78.3	Confident	97 Å²	97	100.5 Å²	100.5	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-43.6	177.7	-67.2	176.7	0	0	0	111.9	M1 A2 S7 I8 F9	M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 WeakPolarHBondContact O-CG 3.27Å; M1-L5 PolarHBondContact O-N 3.24Å; A2-L5 PolarHBondContact O-N 3Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.37Å; L5-I8 HydrophobicContact CD2-CD1 4.21Å; L5-I8 VanDerWaalsContact O-CG1 3.27Å; L5-I8 WeakPolarHBondContact O-CG1 3.18Å; L5-I8 PolarHBondContact O-N 3.28Å; L5-F9 PolarHBondContact O-N 3.3Å
6	A	76	Confident	79.1	Confident	74 Å²	74	99.5 Å²	99.5	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-36.2	175.6	0	0	0	0	0	112.2	A2 E3 Y4 I8	A2-A6 WeakPolarHBondContact O-CB 3.39Å; A2-A6 PolarHBondContact O-N 3.46Å; E3-A6 PolarHBondContact O-N 2.91Å; Y4-A6 PolarHBondContact O-N 3.37Å; A6-I8 VanDerWaalsContact C-N 3.35Å; A6-I8 PolarHBondContact O-N 3.19Å
7	S	79.1	Confident	79.8	Confident	77 Å²	77	95 Å²	95	54%	0.538	49%	0.492	S	S	.	.	H	α-helix	trans	-71.2	-27.2	179.4	76.3	0	0	0	0	114	E3 Y4 L5	E3-S7 WeakPolarHBondContact O-CB 3.37Å; E3-S7 PolarHBondContact O-N 2.86Å; Y4-S7 PolarHBondContact O-N 3.29Å; Y4-S7 VanDerWaalsContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.39Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.37Å
8	I	80.3	Confident	80.6	Confident	19 Å²	19	90 Å²	90	10%	0.097	47%	0.466	C	S	.	.	H	α-helix	trans	-93.5	-19.4	178.4	65.6	175.1	0	0	0	112.6	Y4 L5 A6 G10 T11 K13 D14	Y4-I8 HydrophobicContact CD1-CD1 4.36Å; Y4-I8 HydrophobicContact CE1-CD1 3.95Å; Y4-I8 HydrophobicContact CE1-CG2 4.33Å; Y4-I8 HydrophobicContact CE2-CG2 4.15Å; Y4-I8 PolarHBondContact O-N 3.38Å; Y4-I8 VanDerWaalsContact O-N 3.14Å; L5-I8 HydrophobicContact CD2-CD1 4.21Å; L5-I8 VanDerWaalsContact O-CG1 3.27Å; L5-I8 WeakPolarHBondContact O-CG1 3.18Å; L5-I8 PolarHBondContact O-N 3.28Å; A6-I8 VanDerWaalsContact C-N 3.35Å; A6-I8 PolarHBondContact O-N 3.19Å; I8-G10 PolarHBondContact O-N 3.49Å; I8-T11 VanDerWaalsContact O-CB 3.31Å; I8-T11 WeakPolarHBondContact O-CB 3.37Å; I8-T11 WeakPolarHBondContact O-CG2 3.18Å; I8-T11 PolarHBondContact O-N 3.4Å; I8-T11 PolarHBondContact O-OG1 3.13Å; I8-K13 HydrophobicContact CB-CB 4.34Å; I8-K13 HydrophobicContact CG2-CB 4.22Å; I8-D14 WeakPolarHBondContact O-CB 3.37Å
9	F	78.2	Confident	81.2	Confident	91 Å²	91	85.7 Å²	85.7	40%	0.399	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	130.1	-175.5	-171.9	-101.4	0	0	0	111.9	L5 T11 N17 F22	L5-F9 PolarHBondContact O-N 3.3Å; F9-T11 PolarHBondContact O-N 3.45Å; F9-T11 VanDerWaalsContact O-N 3.15Å; F9-N17 WeakPolarHBondContact CD2-ND2 3.11Å; F9-N17 HydrophobicContact CE2-CB 4.43Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.46Å; F9-F22 HydrophobicContact CD1-CE2 4.13Å; F9-F22 HydrophobicContact CD1-CZ 4.18Å; F9-F22 AromaticContact CE1-CD2 3.87Å; F9-F22 HydrophobicContact CE1-CD2 3.87Å; F9-F22 AromaticContact CE1-CE2 3.43Å; F9-F22 HydrophobicContact CE1-CE2 3.43Å; F9-F22 VanDerWaalsContact CE1-CE2 3.43Å; F9-F22 AromaticContact CE1-CZ 3.93Å; F9-F22 HydrophobicContact CE1-CZ 3.93Å; F9-F22 HydrophobicContact CZ-CD2 4.34Å; F9-F22 HydrophobicContact CZ-CE2 4.27Å
10	G	72.9	Confident	81.8	Confident	3 Å²	3	84.3 Å²	84.3	3%	0.031	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-2.5	-178.3	0	0	0	0	0	115.3	I8 K23	I8-G10 PolarHBondContact O-N 3.49Å; G10-K23 VanDerWaalsContact O-CE 3.27Å; G10-K23 WeakPolarHBondContact O-CE 2.88Å
11	T	80.8	Confident	82.4	Confident	48 Å²	48	80.9 Å²	80.9	29%	0.294	42%	0.417	S	S	.	.	S	Bend	trans	-90.9	166.6	173.3	78.9	0	0	0	0	111.1	I8 F9 K13 D14	I8-T11 VanDerWaalsContact O-CB 3.31Å; I8-T11 WeakPolarHBondContact O-CB 3.37Å; I8-T11 WeakPolarHBondContact O-CG2 3.18Å; I8-T11 PolarHBondContact O-N 3.4Å; I8-T11 PolarHBondContact O-OG1 3.13Å; F9-T11 PolarHBondContact O-N 3.45Å; F9-T11 VanDerWaalsContact O-N 3.15Å; T11-K13 PolarHBondContact O-N 3.1Å; T11-K13 VanDerWaalsContact O-N 3.17Å; T11-K13 PolarHBondContact OG1-N 2.9Å; T11-D14 WeakPolarHBondContact O-CB 3.42Å; T11-D14 PolarHBondContact O-N 3.5Å; T11-D14 VanDerWaalsContact O-N 3.09Å
12	E	76.8	Confident	83.4	Confident	146 Å²	146	75 Å²	75	68%	0.682	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.7	175.8	-63	177.1	-178.4	0	0	113.2	D14	E12-D14 VanDerWaalsContact C-N 3.31Å
13	K	82	Confident	84.1	Confident	160 Å²	160	74.8 Å²	74.8	70%	0.696	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.8	176.6	-61.7	-177.6	-179.5	177.4	0	112.6	I8 T11 K15	I8-K13 HydrophobicContact CB-CB 4.34Å; I8-K13 HydrophobicContact CG2-CB 4.22Å; T11-K13 PolarHBondContact O-N 3.1Å; T11-K13 VanDerWaalsContact O-N 3.17Å; T11-K13 PolarHBondContact OG1-N 2.9Å; K13-K15 PolarHBondContact O-N 3.2Å
14	D	84.8	Confident	84.8	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.048	33%	0.332	C	S	.	.			trans	-66.9	114.8	171	-163.9	-26.3	0	0	0	109.2	I8 T11 E12 V16 N17 R35	I8-D14 WeakPolarHBondContact O-CB 3.37Å; T11-D14 WeakPolarHBondContact O-CB 3.42Å; T11-D14 PolarHBondContact O-N 3.5Å; T11-D14 VanDerWaalsContact O-N 3.09Å; E12-D14 VanDerWaalsContact C-N 3.31Å; D14-V16 WeakPolarHBondContact OD1-CA 3.43Å; D14-V16 PolarHBondContact OD1-N 3.16Å; D14-N17 PolarHBondContact OD1-N 2.99Å; D14-N17 WeakPolarHBondContact OD2-CB 3.45Å; D14-N17 PolarHBondContact OD2-ND2 3.42Å; D14-R35 PolarHBondContact O-NH1 2.95Å
15	K	86.1	Confident	85.7	Confident	183 Å²	183	59.4 Å²	59.4	80%	0.796	30%	0.304	S	S	*	.	S	Bend	trans	-90	-11.7	179	-65.1	-175.2	179.2	-178.7	0	112.7	K13	K13-K15 PolarHBondContact O-N 3.2Å
16	V	90.7	Very high	86.9	Confident	85 Å²	85	55.3 Å²	55.3	52%	0.515	28%	0.284	S	S	.	.	S	Bend	trans	-96.9	-51.1	-177	177.9	0	0	0	0	110	D14 L36	D14-V16 WeakPolarHBondContact OD1-CA 3.43Å; D14-V16 PolarHBondContact OD1-N 3.16Å; V16-L36 HydrophobicContact CG1-CD1 3.82Å; V16-L36 HydrophobicContact CG1-CG 4.41Å; V16-L36 PolarHBondContact O-N 3.03Å
17	N	91.5	Very high	87.8	Confident	23 Å²	23	52.2 Å²	52.2	12%	0.123	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-93.9	144.2	-175.6	-52.9	-65.1	0	0	0	111.7	F9 D14 S19 R35 N38	F9-N17 WeakPolarHBondContact CD2-ND2 3.11Å; F9-N17 HydrophobicContact CE2-CB 4.43Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.46Å; D14-N17 PolarHBondContact OD1-N 2.99Å; D14-N17 WeakPolarHBondContact OD2-CB 3.45Å; D14-N17 PolarHBondContact OD2-ND2 3.42Å; N17-S19 PolarHBondContact O-N 3.47Å; N17-R35 WeakPolarHBondContact O-CD 3.22Å; N17-N38 PolarHBondContact OD1-ND2 2.91Å
18	C	94.3	Very high	88.5	Confident	5 Å²	5	54 Å²	54	3%	0.034	25%	0.254	C	S	.	.			trans	-74.9	113.3	177.2	-174.4	0	0	0	0	110.4	F20 Y21 F22 R35 L36 H37	C18-F20 VanDerWaalsContact C-N 3.3Å; C18-F20 PolarHBondContact O-N 2.84Å; C18-Y21 PolarHBondContact O-N 3.09Å; C18-Y21 PolarHBondContact SG-N 2.82Å; C18-F22 WeakPolarHBondContact O-CB 2.96Å; C18-F22 PolarHBondContact O-N 3.4Å; C18-R35 HydrophobicContact CB-CB 3.76Å; C18-L36 PolarHBondContact N-O 3.32Å; C18-H37 WeakPolarHBondContact CB-CD2 3.42Å; C18-H37 PolarHBondContact SG-NE2 3.17Å
19	S	91.6	Very high	89.2	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-35.7	178.4	55.7	0	0	0	0	112.7	N17 K23	N17-S19 PolarHBondContact O-N 3.47Å; S19-K23 WeakPolarHBondContact O-CB 3.37Å; S19-K23 WeakPolarHBondContact O-CG 3.47Å; S19-K23 PolarHBondContact O-N 2.68Å
20	F	93.1	Very high	89.9	Confident	57 Å²	57	55 Å²	55	25%	0.25	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-47.6	177.2	-70.4	-62.6	0	0	0	111.8	C18 F22 K23 I24 A26 N170 F171	C18-F20 VanDerWaalsContact C-N 3.3Å; C18-F20 PolarHBondContact O-N 2.84Å; F20-F22 VanDerWaalsContact C-N 3.28Å; F20-F22 PolarHBondContact O-N 2.97Å; F20-K23 PolarHBondContact O-N 2.66Å; F20-I24 WeakPolarHBondContact O-CA 3.22Å; F20-I24 WeakPolarHBondContact O-CB 2.94Å; F20-I24 VanDerWaalsContact O-CG1 3.23Å; F20-I24 WeakPolarHBondContact O-CG1 3.12Å; F20-I24 PolarHBondContact O-N 3.16Å; F20-A26 CarbonylContact C-O 3.51Å; F20-N170 HydrophobicContact CD1-CB 3.54Å; F20-N170 HydrophobicContact CE1-CB 3.57Å; F20-N170 HydrophobicContact CG-CB 4.21Å; F20-N170 HydrophobicContact CZ-CB 4.25Å; F20-F171 HydrophobicContact CE1-CE2 4.42Å
21	Y	95.2	Very high	90.8	Very high	13 Å²	13	63 Å²	63	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-42.6	175.9	-176.4	-96.4	0	0	0	111.3	C18 G25 H37 N38 K39 P146	C18-Y21 PolarHBondContact O-N 3.09Å; C18-Y21 PolarHBondContact SG-N 2.82Å; Y21-G25 WeakPolarHBondContact CE2-O 3.44Å; Y21-G25 WeakPolarHBondContact O-CA 3.15Å; Y21-G25 PolarHBondContact O-N 2.84Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.38Å; Y21-H37 HydrophobicContact CD1-CB 3.7Å; Y21-H37 HydrophobicContact CD2-CB 4Å; Y21-H37 AromaticContact CD2-CG 3.72Å; Y21-H37 AromaticContact CD2-ND1 3.87Å; Y21-H37 HydrophobicContact CE1-CB 3.96Å; Y21-H37 HydrophobicContact CE2-CB 4.25Å; Y21-H37 HydrophobicContact CG-CB 3.73Å; Y21-H37 AromaticContact CG-CD2 3.6Å; Y21-H37 AromaticContact CG-CG 3.55Å; Y21-N38 WeakPolarHBondContact CE1-O 3.14Å; Y21-K39 WeakPolarHBondContact OH-CG 3.22Å; Y21-P146 HydrophobicContact CD1-CG 4.29Å; Y21-P146 HydrophobicContact CE1-CG 3.97Å; Y21-P146 WeakPolarHBondContact O-CG 3.46Å
22	F	92.3	Very high	91.5	Very high	75 Å²	75	69.3 Å²	69.3	33%	0.329	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-47.5	177.7	-179.6	-103.8	0	0	0	113	F9 C18 F20 P146	F9-F22 HydrophobicContact CD1-CE2 4.13Å; F9-F22 HydrophobicContact CD1-CZ 4.18Å; F9-F22 AromaticContact CE1-CD2 3.87Å; F9-F22 HydrophobicContact CE1-CD2 3.87Å; F9-F22 AromaticContact CE1-CE2 3.43Å; F9-F22 HydrophobicContact CE1-CE2 3.43Å; F9-F22 VanDerWaalsContact CE1-CE2 3.43Å; F9-F22 AromaticContact CE1-CZ 3.93Å; F9-F22 HydrophobicContact CE1-CZ 3.93Å; F9-F22 HydrophobicContact CZ-CD2 4.34Å; F9-F22 HydrophobicContact CZ-CE2 4.27Å; C18-F22 WeakPolarHBondContact O-CB 2.96Å; C18-F22 PolarHBondContact O-N 3.4Å; F20-F22 VanDerWaalsContact C-N 3.28Å; F20-F22 PolarHBondContact O-N 2.97Å; F22-P146 HydrophobicContact CD2-CB 4.46Å
23	K	92.3	Very high	92.3	Very high	72 Å²	72	63.5 Å²	63.5	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-79.5	-31.5	-175.6	-69.8	-176.2	-177.8	-172.4	0	114.2	G10 S19 F20 V147 A153	G10-K23 VanDerWaalsContact O-CE 3.27Å; G10-K23 WeakPolarHBondContact O-CE 2.88Å; S19-K23 WeakPolarHBondContact O-CB 3.37Å; S19-K23 WeakPolarHBondContact O-CG 3.47Å; S19-K23 PolarHBondContact O-N 2.68Å; F20-K23 PolarHBondContact O-N 2.66Å; K23-V147 WeakPolarHBondContact O-CG2 3.45Å; K23-A153 WeakPolarHBondContact O-CB 3.17Å
24	I	95.1	Very high	92.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-113.9	-16.3	-167.7	-42.6	-62.5	0	0	0	111.3	F20 A26 L109 Y114 V147 A153 N170 F171 M172	F20-I24 WeakPolarHBondContact O-CA 3.22Å; F20-I24 WeakPolarHBondContact O-CB 2.94Å; F20-I24 VanDerWaalsContact O-CG1 3.23Å; F20-I24 WeakPolarHBondContact O-CG1 3.12Å; F20-I24 PolarHBondContact O-N 3.16Å; I24-A26 PolarHBondContact O-N 3.33Å; I24-L109 HydrophobicContact CG2-CD1 4.42Å; I24-L109 HydrophobicContact CG2-CD2 3.67Å; I24-Y114 VanDerWaalsContact O-CE1 3.31Å; I24-Y114 WeakPolarHBondContact O-CE1 3.47Å; I24-Y114 PolarHBondContact O-OH 2.82Å; I24-V147 WeakPolarHBondContact O-CG2 3.45Å; I24-A153 HydrophobicContact CD1-CB 3.83Å; I24-N170 WeakPolarHBondContact CG1-O 3.35Å; I24-F171 HydrophobicContact CD1-CD1 3.9Å; I24-F171 HydrophobicContact CD1-CE1 4.34Å; I24-M172 HydrophobicContact CG2-CE 3.85Å; I24-M172 HydrophobicContact CG2-CG 4.02Å; I24-M172 WeakPolarHBondContact O-CE 3.12Å
25	G	95.5	Very high	93.3	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.01	32%	0.323	C	S	.	.	S	Bend	trans	71	4.7	-173.4	0	0	0	0	0	113.8	Y21 V147	Y21-G25 WeakPolarHBondContact CE2-O 3.44Å; Y21-G25 WeakPolarHBondContact O-CA 3.15Å; Y21-G25 PolarHBondContact O-N 2.84Å; G25-V147 VanDerWaalsContact N-CG2 3.33Å
26	A	95.9	Very high	93.7	Very high	11 Å²	11	61 Å²	61	9%	0.091	31%	0.311	C	S	.	.			trans	-146.3	155.7	179.9	0	0	0	0	0	110.6	F20 I24 H108 L109	F20-A26 CarbonylContact C-O 3.51Å; I24-A26 PolarHBondContact O-N 3.33Å; A26-H108 WeakPolarHBondContact CB-O 3.34Å; A26-L109 HydrophobicContact CB-CD2 3.76Å
27	C	95.7	Very high	93.9	Very high	10 Å²	10	58.7 Å²	58.7	7%	0.068	29%	0.294	C	S	.	.			trans	-145.1	133.2	-179	176.1	0	0	0	0	109.5	H29 G30 C33 H37	C27-H29 PolarHBondContact O-N 2.97Å; C27-H29 VanDerWaalsContact O-N 3.08Å; C27-G30 PolarHBondContact O-N 2.59Å; C27-C33 VanDerWaalsContact SG-SG 3.66Å; C27-H37 WeakPolarHBondContact CB-CE1 3.4Å; C27-H37 VanDerWaalsContact CB-NE2 3.31Å; C27-H37 WeakPolarHBondContact CB-NE2 3.48Å; C27-H37 PolarHBondContact SG-NE2 2.94Å; C27-H37 VanDerWaalsContact SG-NE2 3.42Å
28	R	94.5	Very high	93.9	Very high	115 Å²	115	61.5 Å²	61.5	43%	0.434	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.2	179.4	71.1	177.4	115	167.5	8.2	114.9	N170	R28-N170 VanDerWaalsContact CZ-ND2 3.34Å; R28-N170 VanDerWaalsContact CZ-OD1 3.29Å; R28-N170 PolarHBondContact NE-OD1 2.82Å; R28-N170 PolarHBondContact NH2-ND2 3.11Å; R28-N170 PolarHBondContact NH2-OD1 2.86Å
29	H	94.9	Very high	93.7	Very high	100 Å²	100	67.1 Å²	67.1	46%	0.463	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-5.7	178.5	-53.1	124.8	0	0	0	112.7	C27 E31 Q32 C33	C27-H29 PolarHBondContact O-N 2.97Å; C27-H29 VanDerWaalsContact O-N 3.08Å; H29-E31 PolarHBondContact O-N 3.34Å; H29-Q32 CarbonylContact O-C 3.55Å; H29-Q32 WeakPolarHBondContact O-CA 3.47Å; H29-Q32 WeakPolarHBondContact O-CB 3.04Å; H29-Q32 PolarHBondContact O-N 3.37Å; H29-C33 HydrophobicContact CB-CB 3.99Å; H29-C33 PolarHBondContact O-N 3.11Å
30	G	92.2	Very high	93.9	Very high	31 Å²	31	68.3 Å²	68.3	32%	0.32	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	48.5	-134.1	-178.8	0	0	0	0	0	112.5	C27 Q32 C33 H37	C27-G30 PolarHBondContact O-N 2.59Å; G30-Q32 PolarHBondContact O-N 2.89Å; G30-C33 WeakPolarHBondContact O-CB 3.29Å; G30-C33 PolarHBondContact O-N 3.42Å; G30-H37 PolarHBondContact O-CE1 3.44Å; G30-H37 PolarHBondContact O-ND1 3.18Å
31	E	91.6	Very high	93.8	Very high	169 Å²	169	70.3 Å²	70.3	79%	0.79	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.4	177.8	-58.8	-55.2	134.8	0	0	113.9	H29 C33	H29-E31 PolarHBondContact O-N 3.34Å; E31-C33 VanDerWaalsContact C-N 3.26Å; E31-C33 PolarHBondContact O-N 2.86Å
32	Q	94.9	Very high	93.8	Very high	182 Å²	182	76.2 Å²	76.2	85%	0.85	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-87.7	7	176	-59.8	-178.5	-44.2	0	0	112.5	H29 G30 S34	H29-Q32 CarbonylContact O-C 3.55Å; H29-Q32 WeakPolarHBondContact O-CA 3.47Å; H29-Q32 WeakPolarHBondContact O-CB 3.04Å; H29-Q32 PolarHBondContact O-N 3.37Å; G30-Q32 PolarHBondContact O-N 2.89Å; Q32-S34 PolarHBondContact O-N 3.28Å
33	C	94.5	Very high	94	Very high	23 Å²	23	73.2 Å²	73.2	16%	0.155	38%	0.378	C	S	.	.			trans	-60.3	134	177	-162	0	0	0	0	110.7	C27 H29 G30 E31 R35 H37	C27-C33 VanDerWaalsContact SG-SG 3.66Å; H29-C33 HydrophobicContact CB-CB 3.99Å; H29-C33 PolarHBondContact O-N 3.11Å; G30-C33 WeakPolarHBondContact O-CB 3.29Å; G30-C33 PolarHBondContact O-N 3.42Å; E31-C33 VanDerWaalsContact C-N 3.26Å; E31-C33 PolarHBondContact O-N 2.86Å; C33-R35 PolarHBondContact O-N 3.05Å; C33-H37 VanDerWaalsContact CB-NE2 3.35Å; C33-H37 WeakPolarHBondContact CB-NE2 3.31Å; C33-H37 PolarHBondContact SG-NE2 2.92Å
34	S	94.4	Very high	94.2	Very high	120 Å²	120	72.9 Å²	72.9	84%	0.839	38%	0.378	S	S	*	.	S	Bend	trans	-70.9	-8.3	174.4	56.9	0	0	0	0	113.7	Q32	Q32-S34 PolarHBondContact O-N 3.28Å
35	R	93.1	Very high	94.4	Very high	78 Å²	78	73 Å²	73	29%	0.294	38%	0.379	S	S	.	.	S	Bend	trans	-115.6	153.8	178.8	-61.4	-174.9	-176.2	-163.1	2.5	109.8	D14 N17 C18 C33	D14-R35 PolarHBondContact O-NH1 2.95Å; N17-R35 WeakPolarHBondContact O-CD 3.22Å; C18-R35 HydrophobicContact CB-CB 3.76Å; C33-R35 PolarHBondContact O-N 3.05Å
36	L	94.1	Very high	94.5	Very high	101 Å²	101	73 Å²	73	53%	0.529	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-72.4	135.3	-177.1	-61.7	179.4	0	0	0	112.1	V16 C18	V16-L36 HydrophobicContact CG1-CD1 3.82Å; V16-L36 HydrophobicContact CG1-CG 4.41Å; V16-L36 PolarHBondContact O-N 3.03Å; C18-L36 PolarHBondContact N-O 3.32Å
37	H	95	Very high	94.6	Very high	38 Å²	38	72.5 Å²	72.5	18%	0.176	37%	0.374	C	S	.	.			trans	-100.8	96.1	169.9	-67.9	172.5	0	0	0	109	C18 Y21 C27 G30 C33 K39	C18-H37 WeakPolarHBondContact CB-CD2 3.42Å; C18-H37 PolarHBondContact SG-NE2 3.17Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.38Å; Y21-H37 HydrophobicContact CD1-CB 3.7Å; Y21-H37 HydrophobicContact CD2-CB 4Å; Y21-H37 AromaticContact CD2-CG 3.72Å; Y21-H37 AromaticContact CD2-ND1 3.87Å; Y21-H37 HydrophobicContact CE1-CB 3.96Å; Y21-H37 HydrophobicContact CE2-CB 4.25Å; Y21-H37 HydrophobicContact CG-CB 3.73Å; Y21-H37 AromaticContact CG-CD2 3.6Å; Y21-H37 AromaticContact CG-CG 3.55Å; C27-H37 WeakPolarHBondContact CB-CE1 3.4Å; C27-H37 VanDerWaalsContact CB-NE2 3.31Å; C27-H37 WeakPolarHBondContact CB-NE2 3.48Å; C27-H37 PolarHBondContact SG-NE2 2.94Å; C27-H37 VanDerWaalsContact SG-NE2 3.42Å; G30-H37 PolarHBondContact O-CE1 3.44Å; G30-H37 PolarHBondContact O-ND1 3.18Å; C33-H37 VanDerWaalsContact CB-NE2 3.35Å; C33-H37 WeakPolarHBondContact CB-NE2 3.31Å; C33-H37 PolarHBondContact SG-NE2 2.92Å; H37-K39 PolarHBondContact O-N 3Å
38	N	90.8	Very high	94.8	Very high	81 Å²	81	72.1 Å²	72.1	43%	0.433	37%	0.372	S	S	.	.			trans	-82.3	98.5	178.9	-63.6	-33	0	0	0	109.8	N17 Y21	N17-N38 PolarHBondContact OD1-ND2 2.91Å; Y21-N38 WeakPolarHBondContact CE1-O 3.14Å
39	K	92.1	Very high	94.9	Very high	124 Å²	124	70.6 Å²	70.6	54%	0.539	37%	0.369	S	S	.	.			trans	-62.5	126.7	170.7	-63.2	-162.3	177	-157.4	0	109.1	Y21 H37 E143	Y21-K39 WeakPolarHBondContact OH-CG 3.22Å; H37-K39 PolarHBondContact O-N 3Å; K39-E143 IonicContact NZ-OE2 3.5Å; K39-E143 PolarHBondContact NZ-OE2 3.06Å
40	P	94	Very high	94.9	Very high	34 Å²	34	68.6 Å²	68.6	22%	0.221	36%	0.362	C	S	.	.			trans	-67.4	141.1	178.9	28.2	-34.3	0	0	0	110.5	L144 P146	P40-L144 HydrophobicContact CG-CB 3.8Å; P40-P146 HydrophobicContact CG-CB 4.49Å
41	S	92.8	Very high	95	Very high	98 Å²	98	68 Å²	68	69%	0.685	35%	0.352	S	S	*	.	S	Bend	trans	-81.5	-20.4	174.5	51	0	0	0	0	113.2
42	F	94.4	Very high	95.2	Very high	137 Å²	137	60.4 Å²	60.4	60%	0.601	32%	0.315	S	S	*	.	S	Bend	trans	-150.5	154.5	173.1	59.7	-87	0	0	0	108.6	E120	F42-E120 WeakPolarHBondContact CD2-OE2 3.39Å
43	G	95.3	Very high	95	Very high	13 Å²	13	55 Å²	55	13%	0.134	29%	0.292	C	S	.	.			trans	173.2	164.6	178.6	0	0	0	0	0	111.9	E120 A123	G43-E120 WeakPolarHBondContact O-CA 3.46Å; G43-A123 VanDerWaalsContact O-CB 3.27Å; G43-A123 WeakPolarHBondContact O-CB 3.36Å
44	Q	97.8	Very high	94.3	Very high	64 Å²	64	54.2 Å²	54.2	30%	0.299	29%	0.287	S	S	.	.	S	Bend	trans	-84.6	-21.1	179.7	-72	-177.8	-46.9	0	0	113	K116 F117 R118 E120	Q44-K116 HydrophobicContact CB-CG 4.22Å; Q44-F117 WeakPolarHBondContact CB-O 3.08Å; Q44-F117 PolarHBondContact O-N 2.88Å; Q44-R118 PolarHBondContact NE2-O 3.08Å; Q44-E120 HydrophobicContact CG-CG 3.58Å
45	T	98.5	Very high	93.3	Very high	3 Å²	3	49 Å²	49	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.6	-170.8	-49.4	0	0	0	0	110.7	I115 K116 S145 V147 F150	T45-I115 CarbonylContact C-O 3.51Å; T45-I115 WeakPolarHBondContact CA-O 3.37Å; T45-K116 HydrophobicContact CG2-CB 4.46Å; T45-S145 PolarHBondContact O-N 2.54Å; T45-V147 WeakPolarHBondContact CB-O 3.41Å; T45-V147 PolarHBondContact OG1-O 2.9Å; T45-F150 HydrophobicContact CG2-CE1 4.46Å; T45-F150 HydrophobicContact CG2-CZ 3.79Å
46	I	98.6	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.5	171.1	72.6	167.1	0	0	0	109.8	L48 Y114 I115 F117 A123 A126 V127 L130 E143 L144	I46-L48 HydrophobicContact CD1-CD2 3.81Å; I46-L48 HydrophobicContact CD1-CG 4.39Å; I46-L48 HydrophobicContact CG1-CD2 4.49Å; I46-Y114 WeakPolarHBondContact O-CA 3.45Å; I46-I115 HydrophobicContact CD1-CB 4.38Å; I46-I115 HydrophobicContact CD1-CD1 4.37Å; I46-I115 HydrophobicContact CG1-CB 3.82Å; I46-I115 HydrophobicContact CG1-CG1 4.35Å; I46-I115 PolarHBondContact N-O 2.98Å; I46-I115 PolarHBondContact O-N 3.36Å; I46-F117 HydrophobicContact CD1-CE2 3.84Å; I46-F117 HydrophobicContact CG1-CE2 4Å; I46-F117 HydrophobicContact CG2-CD2 4.49Å; I46-F117 HydrophobicContact CG2-CE2 4.32Å; I46-A123 HydrophobicContact CG2-CB 3.76Å; I46-A126 HydrophobicContact CD1-CB 4Å; I46-V127 HydrophobicContact CB-CG2 4Å; I46-V127 HydrophobicContact CG2-CG2 3.51Å; I46-L130 HydrophobicContact CD1-CD1 3.87Å; I46-E143 CarbonylContact C-O 3.54Å; I46-E143 VanDerWaalsContact CA-O 3.26Å; I46-E143 WeakPolarHBondContact CA-O 3.43Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å
47	L	98.5	Very high	90.7	Very high	2 Å²	2	50 Å²	50	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.3	171.3	166	58.6	0	0	0	108.5	Q49 N112 V113 Y114 A142 E143	L47-Q49 HydrophobicContact CD2-CG 4.09Å; L47-Q49 HydrophobicContact CG-CG 4.01Å; L47-N112 HydrophobicContact CD1-CB 3.56Å; L47-V113 CarbonylContact C-O 3.58Å; L47-V113 WeakPolarHBondContact CA-O 3.42Å; L47-Y114 HydrophobicContact CB-CD1 4.34Å; L47-Y114 HydrophobicContact CB-CE1 4.19Å; L47-Y114 HydrophobicContact CD1-CD1 4.32Å; L47-Y114 HydrophobicContact CD1-CD2 4.27Å; L47-Y114 HydrophobicContact CD1-CE1 3.94Å; L47-Y114 HydrophobicContact CD1-CE2 3.85Å; L47-Y114 HydrophobicContact CD1-CG 4.47Å; L47-Y114 HydrophobicContact CD2-CE1 4.35Å; L47-Y114 HydrophobicContact CG-CE1 4.39Å; L47-A142 CarbonylContact O-C 3.51Å; L47-A142 WeakPolarHBondContact O-CA 3.47Å; L47-E143 HydrophobicContact CB-CG 4.2Å; L47-E143 HydrophobicContact CD2-CG 4.49Å; L47-E143 HydrophobicContact CG-CG 4.5Å; L47-E143 PolarHBondContact N-O 3.2Å; L47-E143 PolarHBondContact O-N 3.44Å
48	L	98.4	Very high	89	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	107	166.6	-46	179.9	0	0	0	107.8	I46 N50 L51 V85 N112 V113 I115 L130 V140 H141 A142	I46-L48 HydrophobicContact CD1-CD2 3.81Å; I46-L48 HydrophobicContact CD1-CG 4.39Å; I46-L48 HydrophobicContact CG1-CD2 4.49Å; L48-N50 PolarHBondContact O-N 3.09Å; L48-L51 HydrophobicContact CB-CB 4.07Å; L48-L51 HydrophobicContact CB-CD2 3.93Å; L48-L51 HydrophobicContact CD1-CD2 3.51Å; L48-L51 HydrophobicContact CG-CD2 4.35Å; L48-V85 HydrophobicContact CD1-CG1 4.34Å; L48-N112 WeakPolarHBondContact O-CA 3.47Å; L48-V113 HydrophobicContact CB-CB 4.16Å; L48-V113 HydrophobicContact CD1-CB 4.5Å; L48-V113 PolarHBondContact N-O 2.81Å; L48-V113 PolarHBondContact O-N 2.81Å; L48-I115 HydrophobicContact CD1-CD1 3.8Å; L48-L130 HydrophobicContact CD1-CD1 4.23Å; L48-L130 HydrophobicContact CD2-CD1 3.71Å; L48-V140 HydrophobicContact CD2-CG1 4.28Å; L48-H141 CarbonylContact C-O 3.58Å; L48-H141 WeakPolarHBondContact CA-O 3.47Å; L48-A142 HydrophobicContact CD2-CB 3.43Å; L48-A142 VanDerWaalsContact CD2-CB 3.43Å
49	Q	96.5	Very high	87	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	128.6	-172.3	-63.5	-177.5	-4.8	0	0	111.1	L47 L51 N112 H141 E143	L47-Q49 HydrophobicContact CD2-CG 4.09Å; L47-Q49 HydrophobicContact CG-CG 4.01Å; Q49-L51 PolarHBondContact O-N 3.49Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.29Å; Q49-H141 HydrophobicContact CB-CB 4.2Å; Q49-H141 PolarHBondContact N-O 2.91Å; Q49-E143 VanDerWaalsContact NE2-CD 3.33Å; Q49-E143 PolarHBondContact NE2-OE1 3.29Å
50	N	94.5	Very high	85	Confident	59 Å²	59	51 Å²	51	32%	0.316	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.3	39.1	173.3	-170.7	21.7	0	0	0	114	L48 N112 R138	L48-N50 PolarHBondContact O-N 3.09Å; N50-N112 PolarHBondContact N-OD1 2.9Å; N50-R138 PolarHBondContact ND2-NH2 2.8Å; N50-R138 PolarHBondContact O-NH1 3.17Å
51	L	96.3	Very high	82.6	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.099	28%	0.278	C	S	.	.			trans	-77.3	-41.6	-178.5	-176.7	69	0	0	0	110.8	L48 Q49 F81 V85 G111 V113 F135 V140	L48-L51 HydrophobicContact CB-CB 4.07Å; L48-L51 HydrophobicContact CB-CD2 3.93Å; L48-L51 HydrophobicContact CD1-CD2 3.51Å; L48-L51 HydrophobicContact CG-CD2 4.35Å; Q49-L51 PolarHBondContact O-N 3.49Å; L51-F81 HydrophobicContact CD2-CE2 4.44Å; L51-F81 HydrophobicContact CD2-CZ 4.2Å; L51-F81 HydrophobicContact CG-CE2 4.17Å; L51-F81 HydrophobicContact CG-CZ 4.12Å; L51-V85 HydrophobicContact CD2-CG1 4.44Å; L51-V85 HydrophobicContact CD2-CG2 4.12Å; L51-G111 PolarHBondContact N-O 2.99Å; L51-G111 VanDerWaalsContact N-O 3.09Å; L51-V113 HydrophobicContact CB-CG2 4.08Å; L51-V113 HydrophobicContact CD2-CG2 4.26Å; L51-F135 HydrophobicContact CD1-CB 3.7Å; L51-F135 HydrophobicContact CD1-CD1 3.77Å; L51-F135 HydrophobicContact CD1-CG 3.84Å; L51-F135 HydrophobicContact CG-CD1 4.26Å; L51-V140 HydrophobicContact CD1-CG1 4.37Å; L51-V140 HydrophobicContact CD1-CG2 3.89Å
52	Y	95.2	Very high	80.6	Confident	8 Å²	8	52.2 Å²	52.2	3%	0.031	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-82.1	117.9	175.4	177.5	-111.7	0	0	0	110.2	A54 F78 F81 V101 G111 K175	Y52-A54 HydrophobicContact CE1-CB 3.86Å; Y52-F78 HydrophobicContact CD2-CD2 4.2Å; Y52-F78 HydrophobicContact CE1-CD2 4.26Å; Y52-F78 HydrophobicContact CE2-CB 4.5Å; Y52-F78 AromaticContact CE2-CD2 3.67Å; Y52-F78 HydrophobicContact CE2-CD2 3.67Å; Y52-F78 HydrophobicContact CE2-CE2 4.49Å; Y52-F78 AromaticContact CZ-CD2 3.71Å; Y52-F81 HydrophobicContact CD2-CB 4.4Å; Y52-F81 AromaticContact CD2-CD1 3.46Å; Y52-F81 HydrophobicContact CD2-CD1 3.46Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.46Å; Y52-F81 HydrophobicContact CD2-CD2 4.14Å; Y52-F81 AromaticContact CD2-CE1 3.68Å; Y52-F81 HydrophobicContact CD2-CE1 3.68Å; Y52-F81 HydrophobicContact CD2-CE2 4.31Å; Y52-F81 AromaticContact CD2-CG 3.72Å; Y52-F81 HydrophobicContact CD2-CG 3.72Å; Y52-F81 HydrophobicContact CD2-CZ 4.09Å; Y52-F81 HydrophobicContact CE2-CD1 4.2Å; Y52-F81 HydrophobicContact CE2-CG 4.33Å; Y52-F81 HydrophobicContact CG-CD1 4.2Å; Y52-F81 AromaticContact CG-CE1 3.96Å; Y52-F81 HydrophobicContact CG-CE1 3.96Å; Y52-F81 HydrophobicContact CG-CZ 4.29Å; Y52-V101 HydrophobicContact CD1-CG1 3.86Å; Y52-V101 HydrophobicContact CG-CG1 3.84Å; Y52-G111 PolarHBondContact N-O 3.39Å; Y52-G111 WeakPolarHBondContact O-CA 3.14Å; Y52-K175 HydrophobicContact CE1-CD 4.26Å; Y52-K175 PolarHBondContact OH-NZ 3.36Å
53	I	89.8	Confident	78.6	Confident	70 Å²	70	52.9 Å²	52.9	36%	0.359	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-104	117.4	169.3	-49.7	177.6	0	0	0	107.5	N57	I53-N57 HydrophobicContact CG2-CB 4.35Å
54	A	79.6	Confident	76.5	Confident	5 Å²	5	55 Å²	55	4%	0.041	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-64.3	136.4	175.8	0	0	0	0	0	110	Y52 Q56 N57 S58	Y52-A54 HydrophobicContact CE1-CB 3.86Å; A54-Q56 HydrophobicContact CB-CG 4.25Å; A54-Q56 VanDerWaalsContact CB-NE2 3.27Å; A54-Q56 PolarHBondContact O-N 2.89Å; A54-Q56 VanDerWaalsContact O-N 3.09Å; A54-N57 WeakPolarHBondContact O-CA 3.3Å; A54-N57 WeakPolarHBondContact O-CB 3.34Å; A54-N57 PolarHBondContact O-N 3.15Å; A54-S58 PolarHBondContact O-N 2.93Å; A54-S58 VanDerWaalsContact O-N 3.11Å
55	P	73.3	Confident	74.4	Confident	11 Å²	11	55 Å²	55	7%	0.071	33%	0.327	C	S	.	.	H	α-helix	trans	-52.4	-36.9	-177	-31.7	37.5	0	0	0	114.1	N57 S58 A59 L69 I77	P55-N57 PolarHBondContact O-N 3.29Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.32Å; P55-S58 PolarHBondContact O-N 2.83Å; P55-S58 PolarHBondContact O-OG 3.28Å; P55-A59 WeakPolarHBondContact O-CB 3.35Å; P55-A59 PolarHBondContact O-N 2.96Å; P55-A59 VanDerWaalsContact O-N 3.13Å; P55-L69 HydrophobicContact CB-CD1 3.37Å; P55-L69 HydrophobicContact CG-CD1 4.07Å; P55-I77 HydrophobicContact CG-CB 4.33Å; P55-I77 HydrophobicContact CG-CD1 4.04Å; P55-I77 HydrophobicContact CG-CG2 3.77Å
56	Q	67.8	Low	72.3	Confident	97 Å²	97	61.3 Å²	61.3	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-25	176.5	65.4	-89.9	20.2	0	0	113.9	A54	A54-Q56 HydrophobicContact CB-CG 4.25Å; A54-Q56 VanDerWaalsContact CB-NE2 3.27Å; A54-Q56 PolarHBondContact O-N 2.89Å; A54-Q56 VanDerWaalsContact O-N 3.09Å
57	N	65.1	Low	70.5	Confident	103 Å²	103	65.6 Å²	65.6	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-91.9	-32	178.5	-64	-6.2	0	0	0	111.6	I53 A54 P55 A59	I53-N57 HydrophobicContact CG2-CB 4.35Å; A54-N57 WeakPolarHBondContact O-CA 3.3Å; A54-N57 WeakPolarHBondContact O-CB 3.34Å; A54-N57 PolarHBondContact O-N 3.15Å; P55-N57 PolarHBondContact O-N 3.29Å; N57-A59 VanDerWaalsContact C-N 3.32Å
58	S	58.9	Low	69	Low	76 Å²	76	72.8 Å²	72.8	53%	0.531	42%	0.417	S	S	.	.	H	α-helix	trans	-71.6	-27.8	176.1	50.3	0	0	0	0	113	A54 P55 Q60	A54-S58 PolarHBondContact O-N 2.93Å; A54-S58 VanDerWaalsContact O-N 3.11Å; P55-S58 VanDerWaalsContact CA-OG 3.29Å; P55-S58 WeakPolarHBondContact CA-OG 3.32Å; P55-S58 PolarHBondContact O-N 2.83Å; P55-S58 PolarHBondContact O-OG 3.28Å; S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.49Å; S58-Q60 VanDerWaalsContact O-N 3.1Å
59	A	50.3	Low	68	Low	8 Å²	8	75.4 Å²	75.4	7%	0.066	43%	0.43	C	S	.	.			trans	-88	64.9	-174.7	0	0	0	0	0	112.8	P55 N57 I67	P55-A59 WeakPolarHBondContact O-CB 3.35Å; P55-A59 PolarHBondContact O-N 2.96Å; P55-A59 VanDerWaalsContact O-N 3.13Å; N57-A59 VanDerWaalsContact C-N 3.32Å; A59-I67 HydrophobicContact CB-CB 4.22Å; A59-I67 HydrophobicContact CB-CD1 3.67Å; A59-I67 HydrophobicContact CB-CG1 3.65Å
60	Q	48.3	Very low	67.5	Low	181 Å²	181	75.1 Å²	75.1	85%	0.846	43%	0.434	S	S	*	.			trans	-89.5	78.4	137.9	-76.4	-177.7	2.4	0	0	106.2	S58	S58-Q60 VanDerWaalsContact C-N 3.34Å; S58-Q60 PolarHBondContact O-N 3.49Å; S58-Q60 VanDerWaalsContact O-N 3.1Å
61	S	44.5	Very low	67	Low	46 Å²	46	80.6 Å²	80.6	32%	0.322	46%	0.458	S	S	.	.			trans	-55.2	148.3	164.3	-66.5	0	0	0	0	108.5	D63 G64	S61-D63 PolarHBondContact O-N 3.45Å; S61-G64 PolarHBondContact O-N 3.47Å
62	A	51.9	Low	66.6	Low	111 Å²	111	84.3 Å²	84.3	92%	0.917	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.8	178.9	0	0	0	0	0	113.2	G64	A62-G64 VanDerWaalsContact C-N 3.32Å
63	D	52	Low	66.4	Low	151 Å²	151	88 Å²	88	81%	0.807	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	4.5	177.6	-59.1	-35.4	0	0	0	114.1	S61 S65	S61-D63 PolarHBondContact O-N 3.45Å; D63-S65 PolarHBondContact O-N 2.84Å; D63-S65 VanDerWaalsContact O-N 3.1Å
64	G	50.5	Low	66.3	Low	58 Å²	58	85.7 Å²	85.7	60%	0.598	49%	0.49	S	S	*	.			trans	65.7	10.3	-178.4	0	0	0	0	0	114.4	S61 A62 H66	S61-G64 PolarHBondContact O-N 3.47Å; A62-G64 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-N 3.47Å
65	S	53.3	Low	66.9	Low	63 Å²	63	87.8 Å²	87.8	44%	0.441	50%	0.499	S	S	.	.			trans	-77.7	115.1	177.6	61.7	0	0	0	0	110.1	D63 I67	D63-S65 PolarHBondContact O-N 2.84Å; D63-S65 VanDerWaalsContact O-N 3.1Å; S65-I67 PolarHBondContact O-N 3.38Å
66	H	55.1	Low	67.8	Low	136 Å²	136	93.4 Å²	93.4	63%	0.63	52%	0.524	S	S	*	.			trans	-61.7	122.7	162.5	-72.8	-86.7	0	0	0	107.5	G64 N68	G64-H66 PolarHBondContact O-N 3.47Å; H66-N68 VanDerWaalsContact C-N 3.35Å; H66-N68 PolarHBondContact O-N 3.41Å
67	I	60.4	Low	68.9	Low	90 Å²	90	92.6 Å²	92.6	46%	0.462	52%	0.522	S	S	.	.			trans	-65	102.5	169.3	-54.3	172.6	0	0	0	106	A59 S65 L69	A59-I67 HydrophobicContact CB-CB 4.22Å; A59-I67 HydrophobicContact CB-CD1 3.67Å; A59-I67 HydrophobicContact CB-CG1 3.65Å; S65-I67 PolarHBondContact O-N 3.38Å; I67-L69 HydrophobicContact CB-CG 4.38Å; I67-L69 HydrophobicContact CG2-CD1 4.3Å; I67-L69 HydrophobicContact CG2-CD2 3.72Å; I67-L69 HydrophobicContact CG2-CG 3.61Å; I67-L69 PolarHBondContact O-N 3.38Å
68	N	67.4	Low	70.3	Confident	153 Å²	153	87.7 Å²	87.7	82%	0.818	50%	0.496	S	S	*	.			trans	-71.2	79.1	173.2	-76.9	-48.7	0	0	0	108.7	H66	H66-N68 VanDerWaalsContact C-N 3.35Å; H66-N68 PolarHBondContact O-N 3.41Å
69	L	77.1	Confident	72.1	Confident	56 Å²	56	85.1 Å²	85.1	29%	0.293	48%	0.477	S	S	.	.			trans	-77.3	136.3	172.4	-68.3	169.9	0	0	0	109.3	P55 I67 Q73 I77	P55-L69 HydrophobicContact CB-CD1 3.37Å; P55-L69 HydrophobicContact CG-CD1 4.07Å; I67-L69 HydrophobicContact CB-CG 4.38Å; I67-L69 HydrophobicContact CG2-CD1 4.3Å; I67-L69 HydrophobicContact CG2-CD2 3.72Å; I67-L69 HydrophobicContact CG2-CG 3.61Å; I67-L69 PolarHBondContact O-N 3.38Å; L69-Q73 HydrophobicContact CB-CB 4.47Å; L69-Q73 HydrophobicContact CD2-CB 4.11Å; L69-I77 HydrophobicContact CD1-CD1 3.78Å; L69-I77 HydrophobicContact CD2-CD1 4.36Å
70	T	85.6	Confident	74.2	Confident	76 Å²	76	86.6 Å²	86.6	47%	0.466	49%	0.492	S	S	.	.			trans	-65.8	153.4	166.2	60.6	0	0	0	0	109.9	V72 Q73 A74	T70-V72 PolarHBondContact O-N 3.44Å; T70-Q73 VanDerWaalsContact N-OE1 3.1Å; T70-Q73 PolarHBondContact O-N 3.22Å; T70-Q73 VanDerWaalsContact OG1-CD 3.31Å; T70-Q73 VanDerWaalsContact OG1-CG 3.25Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.2Å; T70-Q73 PolarHBondContact OG1-N 3.38Å; T70-Q73 PolarHBondContact OG1-OE1 2.99Å; T70-A74 PolarHBondContact O-N 3.01Å
71	E	85	Confident	76.5	Confident	175 Å²	175	78.8 Å²	78.8	82%	0.818	46%	0.456	S	S	*	.	H	α-helix	trans	-53.3	-38.2	175.3	-174.3	179.7	-178.6	0	0	111.8	A74 Q75	E71-A74 PolarHBondContact O-N 2.92Å; E71-Q75 WeakPolarHBondContact O-CB 3.43Å; E71-Q75 PolarHBondContact O-N 2.96Å
72	V	88.2	Confident	79.1	Confident	97 Å²	97	76.8 Å²	76.8	59%	0.588	44%	0.441	S	S	*	.	H	α-helix	trans	-62.7	-46.2	176.9	-179.5	0	0	0	0	111.8	T70 Q75 Q76	T70-V72 PolarHBondContact O-N 3.44Å; V72-Q75 PolarHBondContact O-N 2.98Å; V72-Q76 WeakPolarHBondContact O-CG 3.18Å; V72-Q76 PolarHBondContact O-N 2.95Å
73	Q	89.1	Confident	81.2	Confident	85 Å²	85	73.9 Å²	73.9	40%	0.397	41%	0.408	S	S	.	.	H	α-helix	trans	-67	-41.1	177.8	-73.2	166.3	-34.3	0	0	111.5	L69 T70 Q75 Q76 I77	L69-Q73 HydrophobicContact CB-CB 4.47Å; L69-Q73 HydrophobicContact CD2-CB 4.11Å; T70-Q73 VanDerWaalsContact N-OE1 3.1Å; T70-Q73 PolarHBondContact O-N 3.22Å; T70-Q73 VanDerWaalsContact OG1-CD 3.31Å; T70-Q73 VanDerWaalsContact OG1-CG 3.25Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.2Å; T70-Q73 PolarHBondContact OG1-N 3.38Å; T70-Q73 PolarHBondContact OG1-OE1 2.99Å; Q73-Q75 VanDerWaalsContact C-N 3.29Å; Q73-Q75 PolarHBondContact O-N 3.25Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q73-I77 WeakPolarHBondContact O-CG1 3.44Å; Q73-I77 PolarHBondContact O-N 2.98Å
74	A	88.7	Confident	83.4	Confident	21 Å²	21	72.2 Å²	72.2	17%	0.174	40%	0.396	C	S	.	.	H	α-helix	trans	-61.3	-39.8	176.2	0	0	0	0	0	111.6	T70 E71 F78	T70-A74 PolarHBondContact O-N 3.01Å; E71-A74 PolarHBondContact O-N 2.92Å; A74-F78 WeakPolarHBondContact O-CB 3.35Å; A74-F78 PolarHBondContact O-N 3.49Å
75	Q	91.6	Very high	85.7	Confident	50 Å²	50	69.8 Å²	69.8	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-42.2	174.2	-171.8	64	41.3	0	0	111.8	E71 V72 Q73 I77 F78 D79 P176	E71-Q75 WeakPolarHBondContact O-CB 3.43Å; E71-Q75 PolarHBondContact O-N 2.96Å; V72-Q75 PolarHBondContact O-N 2.98Å; Q73-Q75 VanDerWaalsContact C-N 3.29Å; Q73-Q75 PolarHBondContact O-N 3.25Å; Q75-I77 PolarHBondContact O-N 3.04Å; Q75-F78 PolarHBondContact O-N 3.31Å; Q75-D79 PolarHBondContact NE2-OD1 3.05Å; Q75-D79 WeakPolarHBondContact O-CB 3.25Å; Q75-D79 VanDerWaalsContact O-CG 3.32Å; Q75-D79 PolarHBondContact O-N 2.97Å; Q75-P176 PolarHBondContact NE2-O 2.99Å
76	Q	92.6	Very high	87.8	Confident	128 Å²	128	66.8 Å²	66.8	60%	0.598	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-41.3	177.4	-74.7	173.5	-11	0	0	112.6	V72 Q73 D79 G80	V72-Q76 WeakPolarHBondContact O-CG 3.18Å; V72-Q76 PolarHBondContact O-N 2.95Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q76-D79 PolarHBondContact O-N 3.01Å; Q76-G80 PolarHBondContact O-N 2.7Å
77	I	91.6	Very high	89.8	Confident	80 Å²	80	61.8 Å²	61.8	41%	0.41	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-44.8	175.6	-67.4	163.7	0	0	0	110.1	P55 L69 Q73 Q75 G80 F81	P55-I77 HydrophobicContact CG-CB 4.33Å; P55-I77 HydrophobicContact CG-CD1 4.04Å; P55-I77 HydrophobicContact CG-CG2 3.77Å; L69-I77 HydrophobicContact CD1-CD1 3.78Å; L69-I77 HydrophobicContact CD2-CD1 4.36Å; Q73-I77 WeakPolarHBondContact O-CG1 3.44Å; Q73-I77 PolarHBondContact O-N 2.98Å; Q75-I77 PolarHBondContact O-N 3.04Å; I77-G80 PolarHBondContact O-N 2.66Å; I77-F81 PolarHBondContact O-N 2.81Å
78	F	94.7	Very high	91.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-45.3	177.4	173.6	-110.7	0	0	0	112.6	Y52 A74 Q75 G80 F81 F82 V101 K175 P176 I177	Y52-F78 HydrophobicContact CD2-CD2 4.2Å; Y52-F78 HydrophobicContact CE1-CD2 4.26Å; Y52-F78 HydrophobicContact CE2-CB 4.5Å; Y52-F78 AromaticContact CE2-CD2 3.67Å; Y52-F78 HydrophobicContact CE2-CD2 3.67Å; Y52-F78 HydrophobicContact CE2-CE2 4.49Å; Y52-F78 AromaticContact CZ-CD2 3.71Å; A74-F78 WeakPolarHBondContact O-CB 3.35Å; A74-F78 PolarHBondContact O-N 3.49Å; Q75-F78 PolarHBondContact O-N 3.31Å; F78-G80 VanDerWaalsContact C-N 3.31Å; F78-G80 PolarHBondContact O-N 2.95Å; F78-F81 HydrophobicContact CD2-CD1 4.5Å; F78-F81 WeakPolarHBondContact O-CB 3.3Å; F78-F81 PolarHBondContact O-N 3.25Å; F78-F82 HydrophobicContact CZ-CD2 4.12Å; F78-F82 WeakPolarHBondContact O-CB 3.41Å; F78-F82 PolarHBondContact O-N 2.78Å; F78-V101 HydrophobicContact CE2-CB 3.8Å; F78-V101 HydrophobicContact CE2-CG1 3.91Å; F78-V101 HydrophobicContact CE2-CG2 3.94Å; F78-V101 HydrophobicContact CZ-CB 4.04Å; F78-V101 HydrophobicContact CZ-CG2 4.16Å; F78-K175 HydrophobicContact CB-CD 4.45Å; F78-K175 HydrophobicContact CD1-CD 3.95Å; F78-K175 HydrophobicContact CD1-CG 3.91Å; F78-K175 HydrophobicContact CD2-CD 3.57Å; F78-K175 HydrophobicContact CD2-CG 4.21Å; F78-K175 HydrophobicContact CE1-CB 3.98Å; F78-K175 HydrophobicContact CE1-CD 4.05Å; F78-K175 HydrophobicContact CE1-CG 3.62Å; F78-K175 HydrophobicContact CE2-CB 3.93Å; F78-K175 HydrophobicContact CE2-CD 3.69Å; F78-K175 HydrophobicContact CE2-CG 3.95Å; F78-K175 HydrophobicContact CG-CD 3.7Å; F78-K175 HydrophobicContact CG-CG 4.19Å; F78-K175 HydrophobicContact CZ-CB 3.55Å; F78-K175 HydrophobicContact CZ-CD 3.93Å; F78-K175 HydrophobicContact CZ-CG 3.64Å; F78-P176 WeakPolarHBondContact CE1-O 3.19Å; F78-I177 HydrophobicContact CE1-CG2 3.62Å; F78-I177 HydrophobicContact CZ-CG2 4.05Å
79	D	95.8	Very high	92.9	Very high	23 Å²	23	53 Å²	53	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-39.7	177.1	-80.1	-10.6	0	0	0	111.4	Q75 Q76 F82 E83 S178 L181	Q75-D79 PolarHBondContact NE2-OD1 3.05Å; Q75-D79 WeakPolarHBondContact O-CB 3.25Å; Q75-D79 VanDerWaalsContact O-CG 3.32Å; Q75-D79 PolarHBondContact O-N 2.97Å; Q76-D79 PolarHBondContact O-N 3.01Å; D79-F82 PolarHBondContact O-N 3.28Å; D79-E83 WeakPolarHBondContact O-CB 3.47Å; D79-E83 PolarHBondContact O-N 3.06Å; D79-S178 PolarHBondContact OD1-N 3.42Å; D79-S178 VanDerWaalsContact OD1-N 3.13Å; D79-S178 WeakPolarHBondContact OD2-CB 3.33Å; D79-S178 PolarHBondContact OD2-OG 3.18Å; D79-L181 HydrophobicContact CB-CD2 3.73Å; D79-L181 VanDerWaalsContact O-CD2 3.3Å; D79-L181 WeakPolarHBondContact O-CD2 3.28Å
80	G	95.6	Very high	93.9	Very high	38 Å²	38	50.3 Å²	50.3	39%	0.392	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-48.3	174.4	0	0	0	0	0	112.3	Q76 I77 F78 F82 E83 E84	Q76-G80 PolarHBondContact O-N 2.7Å; I77-G80 PolarHBondContact O-N 2.66Å; F78-G80 VanDerWaalsContact C-N 3.31Å; F78-G80 PolarHBondContact O-N 2.95Å; G80-F82 PolarHBondContact O-N 3.42Å; G80-E83 PolarHBondContact O-N 3.13Å; G80-E84 WeakPolarHBondContact O-CB 3.42Å; G80-E84 PolarHBondContact O-N 3.39Å
81	F	96.5	Very high	94.3	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-48.6	173.4	166.1	-93.2	0	0	0	111.8	L51 Y52 I77 F78 E83 E84 V85 V101 V113 F135	L51-F81 HydrophobicContact CD2-CE2 4.44Å; L51-F81 HydrophobicContact CD2-CZ 4.2Å; L51-F81 HydrophobicContact CG-CE2 4.17Å; L51-F81 HydrophobicContact CG-CZ 4.12Å; Y52-F81 HydrophobicContact CD2-CB 4.4Å; Y52-F81 AromaticContact CD2-CD1 3.46Å; Y52-F81 HydrophobicContact CD2-CD1 3.46Å; Y52-F81 VanDerWaalsContact CD2-CD1 3.46Å; Y52-F81 HydrophobicContact CD2-CD2 4.14Å; Y52-F81 AromaticContact CD2-CE1 3.68Å; Y52-F81 HydrophobicContact CD2-CE1 3.68Å; Y52-F81 HydrophobicContact CD2-CE2 4.31Å; Y52-F81 AromaticContact CD2-CG 3.72Å; Y52-F81 HydrophobicContact CD2-CG 3.72Å; Y52-F81 HydrophobicContact CD2-CZ 4.09Å; Y52-F81 HydrophobicContact CE2-CD1 4.2Å; Y52-F81 HydrophobicContact CE2-CG 4.33Å; Y52-F81 HydrophobicContact CG-CD1 4.2Å; Y52-F81 AromaticContact CG-CE1 3.96Å; Y52-F81 HydrophobicContact CG-CE1 3.96Å; Y52-F81 HydrophobicContact CG-CZ 4.29Å; I77-F81 PolarHBondContact O-N 2.81Å; F78-F81 HydrophobicContact CD2-CD1 4.5Å; F78-F81 WeakPolarHBondContact O-CB 3.3Å; F78-F81 PolarHBondContact O-N 3.25Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 2.97Å; F81-E84 PolarHBondContact O-N 3.08Å; F81-V85 HydrophobicContact CD2-CG2 4.2Å; F81-V85 HydrophobicContact CE1-CG2 4.29Å; F81-V85 HydrophobicContact CE2-CG2 3.74Å; F81-V85 HydrophobicContact CZ-CG2 3.79Å; F81-V85 WeakPolarHBondContact O-CG2 3.46Å; F81-V85 PolarHBondContact O-N 2.93Å; F81-V101 HydrophobicContact CE1-CG1 4.43Å; F81-V101 HydrophobicContact CE1-CG2 4.13Å; F81-V113 HydrophobicContact CE1-CG2 4.03Å; F81-V113 HydrophobicContact CZ-CG2 3.85Å; F81-F135 AromaticContact CD2-CE1 3.63Å; F81-F135 HydrophobicContact CD2-CE1 3.63Å; F81-F135 AromaticContact CD2-CZ 3.57Å; F81-F135 HydrophobicContact CD2-CZ 3.57Å; F81-F135 HydrophobicContact CE2-CD1 4.34Å; F81-F135 AromaticContact CE2-CE1 3.48Å; F81-F135 HydrophobicContact CE2-CE1 3.48Å; F81-F135 VanDerWaalsContact CE2-CE1 3.48Å; F81-F135 AromaticContact CE2-CZ 3.72Å; F81-F135 HydrophobicContact CE2-CZ 3.72Å
82	F	97.9	Very high	94.9	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-44.2	-179	-170.9	-79.3	0	0	0	110.8	F78 D79 G80 F86 M99 V101 I177 L181 L185	F78-F82 HydrophobicContact CZ-CD2 4.12Å; F78-F82 WeakPolarHBondContact O-CB 3.41Å; F78-F82 PolarHBondContact O-N 2.78Å; D79-F82 PolarHBondContact O-N 3.28Å; G80-F82 PolarHBondContact O-N 3.42Å; F82-F86 HydrophobicContact CD1-CB 4.44Å; F82-F86 HydrophobicContact CE1-CB 4.39Å; F82-F86 HydrophobicContact CE1-CD2 4.01Å; F82-F86 HydrophobicContact CE1-CG 4.5Å; F82-F86 HydrophobicContact CZ-CD2 4.48Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 3.48Å; F82-M99 HydrophobicContact CB-CE 4.37Å; F82-M99 HydrophobicContact CD1-CE 3.62Å; F82-M99 HydrophobicContact CD2-CE 3.45Å; F82-M99 VanDerWaalsContact CD2-CE 3.45Å; F82-M99 HydrophobicContact CE1-CE 3.6Å; F82-M99 HydrophobicContact CE2-CB 4.39Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.05Å; F82-M99 WeakPolarHBondContact CE2-O 3.4Å; F82-M99 HydrophobicContact CG-CE 3.54Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.51Å; F82-M99 HydrophobicContact CZ-CG 4.08Å; F82-M99 WeakPolarHBondContact CZ-O 3.49Å; F82-M99 WeakPolarHBondContact O-CE 3.49Å; F82-V101 HydrophobicContact CD2-CG2 3.81Å; F82-V101 HydrophobicContact CE2-CG2 4.18Å; F82-I177 HydrophobicContact CB-CG2 4.25Å; F82-I177 HydrophobicContact CD1-CG2 3.88Å; F82-I177 HydrophobicContact CD2-CG2 3.4Å; F82-I177 VanDerWaalsContact CD2-CG2 3.4Å; F82-I177 HydrophobicContact CE1-CD1 3.91Å; F82-I177 HydrophobicContact CE1-CG2 4.04Å; F82-I177 HydrophobicContact CE2-CG2 3.58Å; F82-I177 HydrophobicContact CG-CG2 3.56Å; F82-I177 HydrophobicContact CZ-CD1 3.99Å; F82-I177 HydrophobicContact CZ-CG2 3.9Å; F82-L181 HydrophobicContact CB-CD2 4.32Å; F82-L181 HydrophobicContact CD1-CD2 4.13Å; F82-L185 HydrophobicContact CD1-CD1 3.81Å; F82-L185 HydrophobicContact CE1-CD1 3.88Å
83	E	97.5	Very high	95.3	Very high	50 Å²	50	43.8 Å²	43.8	23%	0.234	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-50.4	175.5	-179.4	152.1	-146.7	0	0	111.1	D79 G80 F81 V85 F86 V87 L181 K184 L185	D79-E83 WeakPolarHBondContact O-CB 3.47Å; D79-E83 PolarHBondContact O-N 3.06Å; G80-E83 PolarHBondContact O-N 3.13Å; F81-E83 VanDerWaalsContact C-N 3.35Å; F81-E83 PolarHBondContact O-N 2.97Å; E83-V85 PolarHBondContact O-N 3.38Å; E83-F86 PolarHBondContact O-N 3.27Å; E83-V87 HydrophobicContact CG-CG2 3.87Å; E83-V87 WeakPolarHBondContact O-CB 3.38Å; E83-V87 WeakPolarHBondContact O-CG2 3.32Å; E83-V87 PolarHBondContact O-N 2.89Å; E83-L181 HydrophobicContact CB-CD1 3.95Å; E83-L181 HydrophobicContact CG-CD1 4.3Å; E83-K184 VanDerWaalsContact CD-NZ 3.25Å; E83-K184 WeakPolarHBondContact OE1-CE 3.27Å; E83-K184 IonicContact OE1-NZ 2.68Å; E83-K184 PolarHBondContact OE1-NZ 3.08Å; E83-K184 IonicContact OE2-NZ 2.97Å; E83-K184 PolarHBondContact OE2-NZ 3.39Å; E83-L185 HydrophobicContact CG-CD2 4.12Å
84	E	97.2	Very high	95.6	Very high	115 Å²	115	39.9 Å²	39.9	54%	0.537	20%	0.204	S	C	.	.	H	α-helix	trans	-56.2	-53.2	-178.5	-173.9	177.7	170.9	0	0	111.8	G80 F81 F86 V87 E88 F135	G80-E84 WeakPolarHBondContact O-CB 3.42Å; G80-E84 PolarHBondContact O-N 3.39Å; F81-E84 PolarHBondContact O-N 3.08Å; E84-F86 PolarHBondContact O-N 3.48Å; E84-V87 PolarHBondContact O-N 3.43Å; E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.18Å; E84-F135 HydrophobicContact CG-CE2 4.4Å
85	V	97.8	Very high	95.9	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-42.7	179.8	177.6	0	0	0	0	111.2	L48 L51 F81 E83 C89 M99 V113 I115 F135	L48-V85 HydrophobicContact CD1-CG1 4.34Å; L51-V85 HydrophobicContact CD2-CG1 4.44Å; L51-V85 HydrophobicContact CD2-CG2 4.12Å; F81-V85 HydrophobicContact CD2-CG2 4.2Å; F81-V85 HydrophobicContact CE1-CG2 4.29Å; F81-V85 HydrophobicContact CE2-CG2 3.74Å; F81-V85 HydrophobicContact CZ-CG2 3.79Å; F81-V85 WeakPolarHBondContact O-CG2 3.46Å; F81-V85 PolarHBondContact O-N 2.93Å; E83-V85 PolarHBondContact O-N 3.38Å; V85-C89 VanDerWaalsContact O-CB 3.32Å; V85-C89 WeakPolarHBondContact O-CB 3.38Å; V85-C89 PolarHBondContact O-N 3.38Å; V85-C89 PolarHBondContact O-SG 2.8Å; V85-M99 HydrophobicContact CB-CE 4.22Å; V85-M99 HydrophobicContact CB-SD 4.47Å; V85-M99 HydrophobicContact CG1-CE 4.31Å; V85-M99 HydrophobicContact CG1-SD 3.95Å; V85-V113 HydrophobicContact CG1-CG1 4.49Å; V85-I115 HydrophobicContact CG1-CD1 4.01Å; V85-F135 HydrophobicContact CG2-CE2 4.44Å
86	F	97.8	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-49.5	-179.5	-170.9	-80.2	0	0	0	111.6	F82 E83 E84 E90 I96 M99 L185 Y186	F82-F86 HydrophobicContact CD1-CB 4.44Å; F82-F86 HydrophobicContact CE1-CB 4.39Å; F82-F86 HydrophobicContact CE1-CD2 4.01Å; F82-F86 HydrophobicContact CE1-CG 4.5Å; F82-F86 HydrophobicContact CZ-CD2 4.48Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 3.48Å; E83-F86 PolarHBondContact O-N 3.27Å; E84-F86 PolarHBondContact O-N 3.48Å; F86-E90 HydrophobicContact CD1-CB 4.43Å; F86-E90 HydrophobicContact CE1-CB 4.34Å; F86-E90 WeakPolarHBondContact O-CB 3.43Å; F86-E90 PolarHBondContact O-N 3.19Å; F86-I96 HydrophobicContact CD1-CD1 4.38Å; F86-I96 HydrophobicContact CD2-CD1 3.9Å; F86-I96 HydrophobicContact CD2-CG2 4.3Å; F86-I96 HydrophobicContact CE1-CD1 4.46Å; F86-I96 HydrophobicContact CE2-CB 3.91Å; F86-I96 HydrophobicContact CE2-CD1 4.01Å; F86-I96 HydrophobicContact CE2-CG2 3.64Å; F86-I96 HydrophobicContact CG-CD1 4.1Å; F86-I96 HydrophobicContact CZ-CB 3.96Å; F86-I96 HydrophobicContact CZ-CD1 4.29Å; F86-I96 HydrophobicContact CZ-CG2 4.19Å; F86-I96 WeakPolarHBondContact O-CD1 3.34Å; F86-M99 HydrophobicContact CB-CE 3.7Å; F86-M99 HydrophobicContact CB-SD 4.14Å; F86-M99 HydrophobicContact CD2-CB 4.03Å; F86-M99 HydrophobicContact CD2-CE 4.2Å; F86-M99 HydrophobicContact CD2-SD 4.14Å; F86-M99 HydrophobicContact CE2-CB 4.39Å; F86-M99 HydrophobicContact CG-CE 4.48Å; F86-L185 HydrophobicContact CB-CD1 3.98Å; F86-L185 HydrophobicContact CD1-CB 3.98Å; F86-L185 HydrophobicContact CD1-CD1 4.06Å; F86-L185 HydrophobicContact CD1-CD2 4.04Å; F86-L185 HydrophobicContact CD1-CG 4.25Å; F86-L185 HydrophobicContact CD2-CD1 4.41Å; F86-L185 HydrophobicContact CE1-CB 3.87Å; F86-L185 HydrophobicContact CG-CB 4.47Å; F86-L185 HydrophobicContact CG-CD1 3.89Å; F86-L185 HydrophobicContact CZ-CB 4.27Å; F86-Y186 HydrophobicContact CE2-CD1 4.47Å; F86-Y186 AromaticContact CE2-CE1 3.89Å; F86-Y186 HydrophobicContact CE2-CE1 3.89Å; F86-Y186 HydrophobicContact CE2-CE2 4.31Å; F86-Y186 AromaticContact CE2-CZ 3.8Å; F86-Y186 HydrophobicContact CZ-CD1 4.27Å; F86-Y186 HydrophobicContact CZ-CE1 4.11Å
87	V	96.8	Very high	96.3	Very high	30 Å²	30	36.1 Å²	36.1	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-52.4	179	-179.4	0	0	0	0	109.2	E83 E84 C89 E90 E91 L185 R188	E83-V87 HydrophobicContact CG-CG2 3.87Å; E83-V87 WeakPolarHBondContact O-CB 3.38Å; E83-V87 WeakPolarHBondContact O-CG2 3.32Å; E83-V87 PolarHBondContact O-N 2.89Å; E84-V87 PolarHBondContact O-N 3.43Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 3.38Å; V87-E90 PolarHBondContact O-N 3.41Å; V87-E90 VanDerWaalsContact O-N 3.15Å; V87-E91 HydrophobicContact CG1-CG 3.89Å; V87-E91 WeakPolarHBondContact O-CB 3.34Å; V87-E91 WeakPolarHBondContact O-CG 3.18Å; V87-E91 PolarHBondContact O-N 3.05Å; V87-L185 HydrophobicContact CG2-CD2 4.2Å; V87-R188 VanDerWaalsContact CG2-NH1 3.26Å; V87-R188 VanDerWaalsContact CG2-NH2 3.34Å
88	E	97	Very high	96.5	Very high	56 Å²	56	35.5 Å²	35.5	26%	0.262	18%	0.178	S	C	.	.	H	α-helix	trans	-55.6	-47.5	-176.5	-175.3	66.5	-175.9	0	0	111.9	E84 K92 R133	E84-E88 WeakPolarHBondContact O-CB 3.21Å; E84-E88 PolarHBondContact O-N 3.18Å; E88-K92 WeakPolarHBondContact O-CB 3.45Å; E88-K92 PolarHBondContact O-N 3.42Å; E88-K92 VanDerWaalsContact O-N 3.17Å; E88-K92 WeakPolarHBondContact OE1-CD 3.48Å; E88-K92 WeakPolarHBondContact OE1-CE 3.44Å; E88-K92 IonicContact OE1-NZ 2.66Å; E88-K92 PolarHBondContact OE1-NZ 2.82Å; E88-R133 IonicContact OE1-CZ 2.7Å; E88-R133 IonicContact OE1-NH1 3.77Å; E88-R133 PolarHBondContact OE1-NH1 3.42Å; E88-R133 IonicContact OE1-NH2 3.09Å; E88-R133 PolarHBondContact OE1-NH2 2.7Å
89	C	97.8	Very high	96.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-39.9	179.6	-67.9	0	0	0	0	112.4	V85 V87 E91 Y93 G94 I96 I115 F117	V85-C89 VanDerWaalsContact O-CB 3.32Å; V85-C89 WeakPolarHBondContact O-CB 3.38Å; V85-C89 PolarHBondContact O-N 3.38Å; V85-C89 PolarHBondContact O-SG 2.8Å; V87-C89 VanDerWaalsContact C-N 3.31Å; V87-C89 PolarHBondContact O-N 3.38Å; C89-E91 VanDerWaalsContact C-N 3.35Å; C89-E91 PolarHBondContact O-N 3.49Å; C89-Y93 HydrophobicContact CB-CD2 3.95Å; C89-Y93 HydrophobicContact CB-CE2 4.21Å; C89-Y93 WeakPolarHBondContact O-CB 3.44Å; C89-Y93 VanDerWaalsContact O-CD2 3.31Å; C89-Y93 WeakPolarHBondContact O-CD2 3.45Å; C89-Y93 PolarHBondContact O-N 2.83Å; C89-Y93 VanDerWaalsContact O-N 3.09Å; C89-G94 PolarHBondContact O-N 3.35Å; C89-I96 HydrophobicContact CB-CD1 3.91Å; C89-I115 HydrophobicContact CB-CD1 4.18Å; C89-I115 VanDerWaalsContact SG-CD1 3.56Å; C89-F117 HydrophobicContact CB-CE1 4.39Å; C89-F117 HydrophobicContact CB-CZ 4.12Å
90	E	96.2	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-37.4	179.6	179.2	175.3	-129.7	0	0	112.5	F86 V87 G94 I96 R188 S189 Y193	F86-E90 HydrophobicContact CD1-CB 4.43Å; F86-E90 HydrophobicContact CE1-CB 4.34Å; F86-E90 WeakPolarHBondContact O-CB 3.43Å; F86-E90 PolarHBondContact O-N 3.19Å; V87-E90 PolarHBondContact O-N 3.41Å; V87-E90 VanDerWaalsContact O-N 3.15Å; E90-G94 VanDerWaalsContact CA-O 3.29Å; E90-G94 WeakPolarHBondContact CA-O 3.36Å; E90-I96 HydrophobicContact CB-CD1 4.04Å; E90-I96 HydrophobicContact CB-CG1 4.33Å; E90-R188 IonicContact OE2-CZ 3.55Å; E90-R188 IonicContact OE2-NE 3.4Å; E90-R188 PolarHBondContact OE2-NE 2.95Å; E90-R188 IonicContact OE2-NH2 2.82Å; E90-R188 PolarHBondContact OE2-NH2 2.88Å; E90-S189 WeakPolarHBondContact OE1-CA 3.35Å; E90-S189 WeakPolarHBondContact OE1-CB 3.35Å; E90-S189 PolarHBondContact OE1-OG 3.4Å; E90-Y193 HydrophobicContact CG-CE2 3.87Å; E90-Y193 PolarHBondContact O-OH 3.27Å
91	E	95.2	Very high	96.9	Very high	102 Å²	102	33.9 Å²	33.9	48%	0.477	16%	0.161	S	C	.	.	H	α-helix	trans	-80	-37.6	-175.6	-63.1	-149.9	135.4	0	0	113	V87 C89 R192	V87-E91 HydrophobicContact CG1-CG 3.89Å; V87-E91 WeakPolarHBondContact O-CB 3.34Å; V87-E91 WeakPolarHBondContact O-CG 3.18Å; V87-E91 PolarHBondContact O-N 3.05Å; C89-E91 VanDerWaalsContact C-N 3.35Å; C89-E91 PolarHBondContact O-N 3.49Å; E91-R192 IonicContact OE1-CZ 3.94Å; E91-R192 IonicContact OE1-NH1 2.84Å; E91-R192 PolarHBondContact OE1-NH1 3.49Å
92	K	96.4	Very high	96.9	Very high	94 Å²	94	33 Å²	33	41%	0.409	16%	0.157	S	C	.	.	H	α-helix	trans	-88.6	-32.8	-175.9	-70.9	-171	170.2	178.3	0	114.4	E88 K125 R133	E88-K92 WeakPolarHBondContact O-CB 3.45Å; E88-K92 PolarHBondContact O-N 3.42Å; E88-K92 VanDerWaalsContact O-N 3.17Å; E88-K92 WeakPolarHBondContact OE1-CD 3.48Å; E88-K92 WeakPolarHBondContact OE1-CE 3.44Å; E88-K92 IonicContact OE1-NZ 2.66Å; E88-K92 PolarHBondContact OE1-NZ 2.82Å; K92-K125 PolarHBondContact O-NZ 3.48Å; K92-R133 VanDerWaalsContact NZ-NH1 3.1Å
93	Y	97.3	Very high	96.7	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.055	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-64.1	-171.8	-43.3	-56.3	0	0	0	111.5	C89 F117 K125 A126 D129 L130 R133	C89-Y93 HydrophobicContact CB-CD2 3.95Å; C89-Y93 HydrophobicContact CB-CE2 4.21Å; C89-Y93 WeakPolarHBondContact O-CB 3.44Å; C89-Y93 VanDerWaalsContact O-CD2 3.31Å; C89-Y93 WeakPolarHBondContact O-CD2 3.45Å; C89-Y93 PolarHBondContact O-N 2.83Å; C89-Y93 VanDerWaalsContact O-N 3.09Å; Y93-F117 HydrophobicContact CD2-CE1 4.44Å; Y93-F117 HydrophobicContact CD2-CZ 4.06Å; Y93-K125 HydrophobicContact CD1-CD 4.45Å; Y93-K125 HydrophobicContact CD1-CG 4.4Å; Y93-A126 HydrophobicContact CD1-CB 4Å; Y93-A126 HydrophobicContact CD2-CB 3.48Å; Y93-A126 VanDerWaalsContact CD2-CB 3.48Å; Y93-A126 HydrophobicContact CE1-CB 4.41Å; Y93-A126 HydrophobicContact CE2-CB 3.92Å; Y93-A126 HydrophobicContact CG-CB 3.53Å; Y93-D129 HydrophobicContact CE1-CB 3.69Å; Y93-D129 PolarHBondContact OH-OD2 3.05Å; Y93-L130 HydrophobicContact CE2-CD1 3.99Å; Y93-L130 HydrophobicContact CE2-CD2 4.04Å; Y93-L130 HydrophobicContact CE2-CG 3.92Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.45Å; Y93-L130 WeakPolarHBondContact OH-CG 3.12Å; Y93-R133 PolarHBondContact OH-NH1 2.94Å
94	G	95.1	Very high	96.6	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	16%	0.158	C	C	.	.			trans	177.9	-176.4	-175	0	0	0	0	0	116.4	C89 E90 I96 D122	C89-G94 PolarHBondContact O-N 3.35Å; E90-G94 VanDerWaalsContact CA-O 3.29Å; E90-G94 WeakPolarHBondContact CA-O 3.36Å; G94-I96 PolarHBondContact O-N 3.28Å; G94-D122 WeakPolarHBondContact CA-OD2 3.29Å
95	E	96.3	Very high	96.3	Very high	26 Å²	26	33.5 Å²	33.5	12%	0.121	17%	0.165	C	C	.	.			trans	-64.5	119.4	178.8	-175	175.9	173	0	0	109.6	F117 R118 Y193 R197	E95-F117 CarbonylContact O-C 3.59Å; E95-F117 WeakPolarHBondContact O-CA 3.12Å; E95-R118 HydrophobicContact CB-CB 4Å; E95-R118 VanDerWaalsContact CD-CD 3.43Å; E95-R118 HydrophobicContact CG-CB 4.32Å; E95-R118 WeakPolarHBondContact O-CB 3.43Å; E95-R118 PolarHBondContact O-N 2.8Å; E95-R118 IonicContact OE1-NH1 2.95Å; E95-R118 WeakPolarHBondContact OE2-CD 3.31Å; E95-R118 IonicContact OE2-NE 3.93Å; E95-Y193 HydrophobicContact CB-CD1 3.81Å; E95-Y193 HydrophobicContact CB-CD2 3.66Å; E95-Y193 HydrophobicContact CB-CE1 3.86Å; E95-Y193 HydrophobicContact CB-CE2 3.71Å; E95-Y193 HydrophobicContact CB-CG 3.72Å; E95-Y193 HydrophobicContact CG-CD1 4.29Å; E95-Y193 HydrophobicContact CG-CD2 3.54Å; E95-Y193 HydrophobicContact CG-CE2 4.03Å; E95-Y193 HydrophobicContact CG-CG 3.69Å; E95-Y193 PolarHBondContact N-OH 2.93Å; E95-Y193 WeakPolarHBondContact OE2-CB 3.48Å; E95-R197 IonicContact OE1-NH2 2.66Å; E95-R197 PolarHBondContact OE1-NH2 3.43Å
96	I	96.6	Very high	96.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.6	173.2	-61.9	174.7	0	0	0	108.4	F86 C89 E90 G94 M99 I115 F117	F86-I96 HydrophobicContact CD1-CD1 4.38Å; F86-I96 HydrophobicContact CD2-CD1 3.9Å; F86-I96 HydrophobicContact CD2-CG2 4.3Å; F86-I96 HydrophobicContact CE1-CD1 4.46Å; F86-I96 HydrophobicContact CE2-CB 3.91Å; F86-I96 HydrophobicContact CE2-CD1 4.01Å; F86-I96 HydrophobicContact CE2-CG2 3.64Å; F86-I96 HydrophobicContact CG-CD1 4.1Å; F86-I96 HydrophobicContact CZ-CB 3.96Å; F86-I96 HydrophobicContact CZ-CD1 4.29Å; F86-I96 HydrophobicContact CZ-CG2 4.19Å; F86-I96 WeakPolarHBondContact O-CD1 3.34Å; C89-I96 HydrophobicContact CB-CD1 3.91Å; E90-I96 HydrophobicContact CB-CD1 4.04Å; E90-I96 HydrophobicContact CB-CG1 4.33Å; G94-I96 PolarHBondContact O-N 3.28Å; I96-M99 HydrophobicContact CG2-CB 4.13Å; I96-I115 HydrophobicContact CD1-CG2 3.92Å; I96-I115 HydrophobicContact CG1-CG2 3.93Å; I96-I115 HydrophobicContact CG2-CG2 4.03Å; I96-F117 HydrophobicContact CG1-CD1 4.16Å; I96-F117 HydrophobicContact CG1-CE1 3.94Å
97	E	95.3	Very high	95.8	Very high	89 Å²	89	40.5 Å²	40.5	42%	0.416	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-46.3	171.3	-173.6	173.6	133.8	0	0	110.5	K116 Y186	E97-K116 HydrophobicContact CB-CD 4.48Å; E97-K116 HydrophobicContact CB-CG 4.34Å; E97-K116 WeakPolarHBondContact CB-O 3.29Å; E97-K116 PolarHBondContact N-O 3.01Å; E97-K116 WeakPolarHBondContact OE1-CE 3.39Å; E97-K116 IonicContact OE1-NZ 3.45Å; E97-K116 PolarHBondContact OE1-NZ 3.2Å; E97-Y186 WeakPolarHBondContact O-CE1 3.24Å
98	E	95.7	Very high	95.7	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	141.4	-178.9	-165.1	173.9	164.2	0	0	110.5	N100 K116 F150	E98-N100 PolarHBondContact OE1-ND2 3.11Å; E98-K116 HydrophobicContact CB-CB 4.47Å; E98-K116 PolarHBondContact N-O 2.84Å; E98-K116 PolarHBondContact O-N 2.85Å; E98-F150 HydrophobicContact CB-CD2 4.37Å; E98-F150 HydrophobicContact CB-CE2 4.21Å; E98-F150 VanDerWaalsContact CD-CD2 3.49Å; E98-F150 HydrophobicContact CG-CD2 4.15Å; E98-F150 HydrophobicContact CG-CE2 4.34Å; E98-F150 WeakPolarHBondContact OE2-CD2 3.43Å
99	M	98	Very high	95.7	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.9	172.6	179.2	170	102.2	0	0	110.2	F82 V85 F86 I96 V113 Y114 I115 Y186	F82-M99 HydrophobicContact CB-CE 4.37Å; F82-M99 HydrophobicContact CD1-CE 3.62Å; F82-M99 HydrophobicContact CD2-CE 3.45Å; F82-M99 VanDerWaalsContact CD2-CE 3.45Å; F82-M99 HydrophobicContact CE1-CE 3.6Å; F82-M99 HydrophobicContact CE2-CB 4.39Å; F82-M99 HydrophobicContact CE2-CE 3.44Å; F82-M99 VanDerWaalsContact CE2-CE 3.44Å; F82-M99 HydrophobicContact CE2-CG 4.05Å; F82-M99 WeakPolarHBondContact CE2-O 3.4Å; F82-M99 HydrophobicContact CG-CE 3.54Å; F82-M99 HydrophobicContact CZ-CB 3.99Å; F82-M99 HydrophobicContact CZ-CE 3.51Å; F82-M99 HydrophobicContact CZ-CG 4.08Å; F82-M99 WeakPolarHBondContact CZ-O 3.49Å; F82-M99 WeakPolarHBondContact O-CE 3.49Å; V85-M99 HydrophobicContact CB-CE 4.22Å; V85-M99 HydrophobicContact CB-SD 4.47Å; V85-M99 HydrophobicContact CG1-CE 4.31Å; V85-M99 HydrophobicContact CG1-SD 3.95Å; F86-M99 HydrophobicContact CB-CE 3.7Å; F86-M99 HydrophobicContact CB-SD 4.14Å; F86-M99 HydrophobicContact CD2-CB 4.03Å; F86-M99 HydrophobicContact CD2-CE 4.2Å; F86-M99 HydrophobicContact CD2-SD 4.14Å; F86-M99 HydrophobicContact CE2-CB 4.39Å; F86-M99 HydrophobicContact CG-CE 4.48Å; I96-M99 HydrophobicContact CG2-CB 4.13Å; M99-V113 HydrophobicContact CG-CG1 4.08Å; M99-V113 HydrophobicContact SD-CG1 4.23Å; M99-Y114 CarbonylContact C-O 3.57Å; M99-Y114 VanDerWaalsContact CA-O 3.29Å; M99-Y114 WeakPolarHBondContact CA-O 3.47Å; M99-I115 HydrophobicContact CG-CG1 3.96Å; M99-I115 HydrophobicContact SD-CD1 3.98Å; M99-I115 HydrophobicContact SD-CG1 3.95Å; M99-Y186 PolarHBondContact N-OH 2.96Å
100	N	98	Very high	95.5	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.3	-171.3	-75.9	-36.5	0	0	0	110.5	E98 V113 Y114 F150 L174	E98-N100 PolarHBondContact OE1-ND2 3.11Å; N100-V113 CarbonylContact O-C 3.57Å; N100-V113 WeakPolarHBondContact O-CA 3.38Å; N100-Y114 PolarHBondContact N-O 3.19Å; N100-Y114 PolarHBondContact O-N 3.05Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.35Å; N100-F150 VanDerWaalsContact ND2-CG 3.28Å; N100-F150 WeakPolarHBondContact ND2-CG 3.4Å; N100-L174 HydrophobicContact CB-CD1 4.06Å; N100-L174 HydrophobicContact CB-CD2 3.79Å
101	V	98.2	Very high	95.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.6	178.8	-174.9	0	0	0	0	109.4	Y52 F78 F81 F82 V113 L174 K175	Y52-V101 HydrophobicContact CD1-CG1 3.86Å; Y52-V101 HydrophobicContact CG-CG1 3.84Å; F78-V101 HydrophobicContact CE2-CB 3.8Å; F78-V101 HydrophobicContact CE2-CG1 3.91Å; F78-V101 HydrophobicContact CE2-CG2 3.94Å; F78-V101 HydrophobicContact CZ-CB 4.04Å; F78-V101 HydrophobicContact CZ-CG2 4.16Å; F81-V101 HydrophobicContact CE1-CG1 4.43Å; F81-V101 HydrophobicContact CE1-CG2 4.13Å; F82-V101 HydrophobicContact CD2-CG2 3.81Å; F82-V101 HydrophobicContact CE2-CG2 4.18Å; V101-V113 HydrophobicContact CG1-CG2 4.19Å; V101-V113 HydrophobicContact CG2-CG1 4.19Å; V101-V113 HydrophobicContact CG2-CG2 4.07Å; V101-L174 WeakPolarHBondContact O-CA 3.1Å; V101-K175 PolarHBondContact O-N 2.98Å
102	C	97	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-86.4	124.5	-179.5	-68.5	0	0	0	0	111.9	N104 L109 G111 N112 H173	C102-N104 VanDerWaalsContact C-N 3.34Å; C102-N104 WeakPolarHBondContact CB-OD1 3.35Å; C102-L109 WeakPolarHBondContact CB-O 3.47Å; C102-G111 PolarHBondContact O-N 3.48Å; C102-N112 HydrophobicContact CB-CB 4.27Å; C102-N112 PolarHBondContact N-O 2.79Å; C102-H173 CarbonylContact C-O 3.58Å; C102-H173 WeakPolarHBondContact CA-O 3.43Å
103	D	94.1	Very high	95.7	Very high	48 Å²	48	30.2 Å²	30.2	26%	0.257	16%	0.157	S	C	.	.			trans	-100.3	25	171.1	-153.5	42.1	0	0	0	111.3	H173 K175	D103-H173 PolarHBondContact N-O 3.15Å; D103-K175 HydrophobicContact CB-CB 4.08Å; D103-K175 HydrophobicContact CB-CD 4.46Å
104	N	94.7	Very high	95.8	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	15%	0.154	C	C	.	.			trans	-62.6	149	175.2	-71	82.7	0	0	0	110.5	C102 L109 V110 F171 H173	C102-N104 VanDerWaalsContact C-N 3.34Å; C102-N104 WeakPolarHBondContact CB-OD1 3.35Å; N104-L109 HydrophobicContact CB-CB 3.51Å; N104-V110 WeakPolarHBondContact O-CA 3.43Å; N104-V110 VanDerWaalsContact O-CB 3.24Å; N104-V110 WeakPolarHBondContact O-CB 3.33Å; N104-V110 VanDerWaalsContact O-CG2 3.25Å; N104-V110 WeakPolarHBondContact O-CG2 3.44Å; N104-F171 PolarHBondContact ND2-O 3.39Å; N104-H173 PolarHBondContact OD1-N 3.02Å
105	L	91.9	Very high	96	Very high	129 Å²	129	29.4 Å²	29.4	68%	0.675	15%	0.152	S	C	*	.	S	Bend	trans	-85.1	-17.4	172.3	-61.5	178.2	0	0	0	113.1
106	G	92.4	Very high	96.1	Very high	7 Å²	7	29.4 Å²	29.4	7%	0.072	15%	0.152	C	C	.	.	S	Bend	trans	-83.6	134.8	-176.2	0	0	0	0	0	111.8	H108 L109 V110 G167	G106-H108 PolarHBondContact O-N 2.82Å; G106-L109 PolarHBondContact O-N 2.89Å; G106-V110 PolarHBondContact O-N 3.17Å; G106-G167 VanDerWaalsContact CA-O 3.3Å; G106-G167 WeakPolarHBondContact CA-O 3.27Å
107	D	92.1	Very high	96.1	Very high	147 Å²	147	29.2 Å²	29.2	79%	0.786	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.2	-174.4	-60.5	-26	0	0	0	114.7	L109	D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 PolarHBondContact O-N 2.91Å
108	H	94.6	Very high	96.2	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.162	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.1	179.2	67	-67	0	0	0	114.5	A26 G106 N112 C169	A26-H108 WeakPolarHBondContact CB-O 3.34Å; G106-H108 PolarHBondContact O-N 2.82Å; H108-N112 PolarHBondContact O-ND2 3.4Å; H108-N112 VanDerWaalsContact O-ND2 3.11Å; H108-C169 PolarHBondContact CE1-O 3.45Å; H108-C169 PolarHBondContact NE2-O 3.25Å
109	L	96.3	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-22	-178.2	-72.2	173.6	0	0	0	113.8	I24 A26 C102 N104 G106 D107 G111 N112	I24-L109 HydrophobicContact CG2-CD1 4.42Å; I24-L109 HydrophobicContact CG2-CD2 3.67Å; A26-L109 HydrophobicContact CB-CD2 3.76Å; C102-L109 WeakPolarHBondContact CB-O 3.47Å; N104-L109 HydrophobicContact CB-CB 3.51Å; G106-L109 PolarHBondContact O-N 2.89Å; D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 PolarHBondContact O-N 2.91Å; L109-G111 PolarHBondContact O-N 2.83Å; L109-N112 WeakPolarHBondContact O-CB 3.35Å; L109-N112 PolarHBondContact O-N 2.9Å
110	V	95.2	Very high	96.2	Very high	27 Å²	27	35.8 Å²	35.8	16%	0.164	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129	-176.2	64.4	0	0	0	0	111.1	N104 G106 N112	N104-V110 WeakPolarHBondContact O-CA 3.43Å; N104-V110 VanDerWaalsContact O-CB 3.24Å; N104-V110 WeakPolarHBondContact O-CB 3.33Å; N104-V110 VanDerWaalsContact O-CG2 3.25Å; N104-V110 WeakPolarHBondContact O-CG2 3.44Å; G106-V110 PolarHBondContact O-N 3.17Å; V110-N112 PolarHBondContact O-N 3.26Å
111	G	95.2	Very high	96.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	1.5	173.9	0	0	0	0	0	115.5	L51 Y52 C102 L109 V113	L51-G111 PolarHBondContact N-O 2.99Å; L51-G111 VanDerWaalsContact N-O 3.09Å; Y52-G111 PolarHBondContact N-O 3.39Å; Y52-G111 WeakPolarHBondContact O-CA 3.14Å; C102-G111 PolarHBondContact O-N 3.48Å; L109-G111 PolarHBondContact O-N 2.83Å; G111-V113 PolarHBondContact O-N 3.32Å
112	N	97.9	Very high	96.2	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	20%	0.2	C	C	.	.			trans	-65.4	133.1	178.4	-76.4	-3.3	0	0	0	110.5	L47 L48 Q49 N50 C102 H108 L109 V110 Y114	L47-N112 HydrophobicContact CD1-CB 3.56Å; L48-N112 WeakPolarHBondContact O-CA 3.47Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.29Å; N50-N112 PolarHBondContact N-OD1 2.9Å; C102-N112 HydrophobicContact CB-CB 4.27Å; C102-N112 PolarHBondContact N-O 2.79Å; H108-N112 PolarHBondContact O-ND2 3.4Å; H108-N112 VanDerWaalsContact O-ND2 3.11Å; L109-N112 WeakPolarHBondContact O-CB 3.35Å; L109-N112 PolarHBondContact O-N 2.9Å; V110-N112 PolarHBondContact O-N 3.26Å; N112-Y114 HydrophobicContact CB-CD2 4.48Å; N112-Y114 HydrophobicContact CB-CE2 3.79Å
113	V	98.6	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.5	174.8	-175.4	0	0	0	0	108.8	L47 L48 L51 F81 V85 M99 N100 V101 G111 I115	L47-V113 CarbonylContact C-O 3.58Å; L47-V113 WeakPolarHBondContact CA-O 3.42Å; L48-V113 HydrophobicContact CB-CB 4.16Å; L48-V113 HydrophobicContact CD1-CB 4.5Å; L48-V113 PolarHBondContact N-O 2.81Å; L48-V113 PolarHBondContact O-N 2.81Å; L51-V113 HydrophobicContact CB-CG2 4.08Å; L51-V113 HydrophobicContact CD2-CG2 4.26Å; F81-V113 HydrophobicContact CE1-CG2 4.03Å; F81-V113 HydrophobicContact CZ-CG2 3.85Å; V85-V113 HydrophobicContact CG1-CG1 4.49Å; M99-V113 HydrophobicContact CG-CG1 4.08Å; M99-V113 HydrophobicContact SD-CG1 4.23Å; N100-V113 CarbonylContact O-C 3.57Å; N100-V113 WeakPolarHBondContact O-CA 3.38Å; V101-V113 HydrophobicContact CG1-CG2 4.19Å; V101-V113 HydrophobicContact CG2-CG1 4.19Å; V101-V113 HydrophobicContact CG2-CG2 4.07Å; G111-V113 PolarHBondContact O-N 3.32Å; V113-I115 HydrophobicContact CG1-CD1 4.4Å; V113-I115 HydrophobicContact CG1-CG1 4.01Å
114	Y	98.7	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.1	174.7	-65.5	-99.9	0	0	0	109.2	I24 I46 L47 M99 N100 N112 V147 F150 M172	I24-Y114 VanDerWaalsContact O-CE1 3.31Å; I24-Y114 WeakPolarHBondContact O-CE1 3.47Å; I24-Y114 PolarHBondContact O-OH 2.82Å; I46-Y114 WeakPolarHBondContact O-CA 3.45Å; L47-Y114 HydrophobicContact CB-CD1 4.34Å; L47-Y114 HydrophobicContact CB-CE1 4.19Å; L47-Y114 HydrophobicContact CD1-CD1 4.32Å; L47-Y114 HydrophobicContact CD1-CD2 4.27Å; L47-Y114 HydrophobicContact CD1-CE1 3.94Å; L47-Y114 HydrophobicContact CD1-CE2 3.85Å; L47-Y114 HydrophobicContact CD1-CG 4.47Å; L47-Y114 HydrophobicContact CD2-CE1 4.35Å; L47-Y114 HydrophobicContact CG-CE1 4.39Å; M99-Y114 CarbonylContact C-O 3.57Å; M99-Y114 VanDerWaalsContact CA-O 3.29Å; M99-Y114 WeakPolarHBondContact CA-O 3.47Å; N100-Y114 PolarHBondContact N-O 3.19Å; N100-Y114 PolarHBondContact O-N 3.05Å; N112-Y114 HydrophobicContact CB-CD2 4.48Å; N112-Y114 HydrophobicContact CB-CE2 3.79Å; Y114-V147 HydrophobicContact CD1-CG2 4.47Å; Y114-V147 HydrophobicContact CE1-CG2 4.1Å; Y114-F150 HydrophobicContact CD1-CE1 4.06Å; Y114-F150 AromaticContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CZ 4.47Å; Y114-M172 HydrophobicContact CD1-CE 3.84Å; Y114-M172 HydrophobicContact CD2-CE 3.92Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.37Å; Y114-M172 HydrophobicContact CE2-CE 3.5Å; Y114-M172 VanDerWaalsContact CE2-CE 3.5Å; Y114-M172 HydrophobicContact CE2-SD 3.97Å; Y114-M172 HydrophobicContact CG-CE 4.08Å; Y114-M172 HydrophobicContact CG-SD 4.49Å
115	I	98.6	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.6	178.5	-47.7	-178.5	0	0	0	107.8	T45 I46 L48 V85 C89 I96 M99 V113 F117	T45-I115 CarbonylContact C-O 3.51Å; T45-I115 WeakPolarHBondContact CA-O 3.37Å; I46-I115 HydrophobicContact CD1-CB 4.38Å; I46-I115 HydrophobicContact CD1-CD1 4.37Å; I46-I115 HydrophobicContact CG1-CB 3.82Å; I46-I115 HydrophobicContact CG1-CG1 4.35Å; I46-I115 PolarHBondContact N-O 2.98Å; I46-I115 PolarHBondContact O-N 3.36Å; L48-I115 HydrophobicContact CD1-CD1 3.8Å; V85-I115 HydrophobicContact CG1-CD1 4.01Å; C89-I115 HydrophobicContact CB-CD1 4.18Å; C89-I115 VanDerWaalsContact SG-CD1 3.56Å; I96-I115 HydrophobicContact CD1-CG2 3.92Å; I96-I115 HydrophobicContact CG1-CG2 3.93Å; I96-I115 HydrophobicContact CG2-CG2 4.03Å; M99-I115 HydrophobicContact CG-CG1 3.96Å; M99-I115 HydrophobicContact SD-CD1 3.98Å; M99-I115 HydrophobicContact SD-CG1 3.95Å; V113-I115 HydrophobicContact CG1-CD1 4.4Å; V113-I115 HydrophobicContact CG1-CG1 4.01Å; I115-F117 HydrophobicContact CB-CE2 4.22Å; I115-F117 HydrophobicContact CG2-CD2 4.24Å; I115-F117 HydrophobicContact CG2-CE1 4.3Å; I115-F117 HydrophobicContact CG2-CE2 3.77Å; I115-F117 HydrophobicContact CG2-CZ 3.81Å
116	K	98.4	Very high	96.9	Very high	26 Å²	26	43 Å²	43	11%	0.113	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.9	172.5	-175.1	-179	-177.6	-166.9	0	109.1	Q44 T45 E97 E98 T148 F150	Q44-K116 HydrophobicContact CB-CG 4.22Å; T45-K116 HydrophobicContact CG2-CB 4.46Å; E97-K116 HydrophobicContact CB-CD 4.48Å; E97-K116 HydrophobicContact CB-CG 4.34Å; E97-K116 WeakPolarHBondContact CB-O 3.29Å; E97-K116 PolarHBondContact N-O 3.01Å; E97-K116 WeakPolarHBondContact OE1-CE 3.39Å; E97-K116 IonicContact OE1-NZ 3.45Å; E97-K116 PolarHBondContact OE1-NZ 3.2Å; E98-K116 HydrophobicContact CB-CB 4.47Å; E98-K116 PolarHBondContact N-O 2.84Å; E98-K116 PolarHBondContact O-N 2.85Å; K116-T148 PolarHBondContact NZ-O 2.97Å; K116-F150 HydrophobicContact CB-CE2 3.85Å; K116-F150 HydrophobicContact CB-CZ 4.37Å; K116-F150 HydrophobicContact CD-CE2 4.37Å
117	F	98.3	Very high	97.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.3	171.8	-66.9	-84.2	0	0	0	110.8	Q44 I46 C89 Y93 E95 I96 I115 R119 D122 A123 A126	Q44-F117 WeakPolarHBondContact CB-O 3.08Å; Q44-F117 PolarHBondContact O-N 2.88Å; I46-F117 HydrophobicContact CD1-CE2 3.84Å; I46-F117 HydrophobicContact CG1-CE2 4Å; I46-F117 HydrophobicContact CG2-CD2 4.49Å; I46-F117 HydrophobicContact CG2-CE2 4.32Å; C89-F117 HydrophobicContact CB-CE1 4.39Å; C89-F117 HydrophobicContact CB-CZ 4.12Å; Y93-F117 HydrophobicContact CD2-CE1 4.44Å; Y93-F117 HydrophobicContact CD2-CZ 4.06Å; E95-F117 CarbonylContact O-C 3.59Å; E95-F117 WeakPolarHBondContact O-CA 3.12Å; I96-F117 HydrophobicContact CG1-CD1 4.16Å; I96-F117 HydrophobicContact CG1-CE1 3.94Å; I115-F117 HydrophobicContact CB-CE2 4.22Å; I115-F117 HydrophobicContact CG2-CD2 4.24Å; I115-F117 HydrophobicContact CG2-CE1 4.3Å; I115-F117 HydrophobicContact CG2-CE2 3.77Å; I115-F117 HydrophobicContact CG2-CZ 3.81Å; F117-R119 WeakPolarHBondContact CB-O 3.45Å; F117-R119 PolarHBondContact O-N 3.21Å; F117-D122 HydrophobicContact CB-CB 4.25Å; F117-D122 HydrophobicContact CD1-CB 4.18Å; F117-D122 HydrophobicContact CG-CB 4.28Å; F117-A123 HydrophobicContact CB-CB 4.36Å; F117-A123 HydrophobicContact CD2-CB 3.74Å; F117-A123 HydrophobicContact CG-CB 4.39Å; F117-A126 HydrophobicContact CE2-CB 3.79Å; F117-A126 HydrophobicContact CZ-CB 3.81Å
118	R	95.9	Very high	97.4	Very high	108 Å²	108	42.4 Å²	42.4	41%	0.408	19%	0.191	S	C	.	.	S	Bend	trans	-66.1	-29.2	172.6	-176.6	175.4	-176.1	87	11.2	112.3	Q44 E95	Q44-R118 PolarHBondContact NE2-O 3.08Å; E95-R118 HydrophobicContact CB-CB 4Å; E95-R118 VanDerWaalsContact CD-CD 3.43Å; E95-R118 HydrophobicContact CG-CB 4.32Å; E95-R118 WeakPolarHBondContact O-CB 3.43Å; E95-R118 PolarHBondContact O-N 2.8Å; E95-R118 IonicContact OE1-NH1 2.95Å; E95-R118 WeakPolarHBondContact OE2-CD 3.31Å; E95-R118 IonicContact OE2-NE 3.93Å
119	R	97	Very high	97.6	Very high	109 Å²	109	43.6 Å²	43.6	41%	0.411	20%	0.199	S	C	.	.	S	Bend	trans	-124.6	141.9	-175.4	-67.1	-173.5	178.3	-175.5	3.9	110.5	F117 E121 D122 A123	F117-R119 WeakPolarHBondContact CB-O 3.45Å; F117-R119 PolarHBondContact O-N 3.21Å; R119-E121 VanDerWaalsContact C-N 3.32Å; R119-E121 WeakPolarHBondContact CB-OE2 3.44Å; R119-D122 HydrophobicContact CB-CB 4.25Å; R119-D122 WeakPolarHBondContact CB-OD2 3.31Å; R119-D122 PolarHBondContact O-N 3.47Å; R119-A123 PolarHBondContact O-N 3Å
120	E	97	Very high	97.7	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-35.2	178.5	-61.1	177.9	174.3	0	0	111.1	F42 G43 Q44 D122 A123 E124	F42-E120 WeakPolarHBondContact CD2-OE2 3.39Å; G43-E120 WeakPolarHBondContact O-CA 3.46Å; Q44-E120 HydrophobicContact CG-CG 3.58Å; E120-D122 VanDerWaalsContact C-N 3.29Å; E120-D122 PolarHBondContact O-N 2.92Å; E120-A123 WeakPolarHBondContact O-CB 3.48Å; E120-A123 PolarHBondContact O-N 2.92Å; E120-E124 PolarHBondContact O-N 2.97Å
121	E	97.6	Very high	97.8	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	21%	0.212	S	C	.	.	H	α-helix	trans	-65.2	-35	178.4	-49.2	87.6	-161.1	0	0	111.9	R119 A123 K125	R119-E121 VanDerWaalsContact C-N 3.32Å; R119-E121 WeakPolarHBondContact CB-OE2 3.44Å; E121-A123 VanDerWaalsContact C-N 3.35Å; E121-K125 WeakPolarHBondContact O-CB 3.19Å; E121-K125 PolarHBondContact O-N 2.78Å; E121-K125 VanDerWaalsContact O-N 3.08Å
122	D	98.2	Very high	97.9	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-37.4	177.8	-62.3	-19	0	0	0	110.2	G94 F117 R119 E120 A126	G94-D122 WeakPolarHBondContact CA-OD2 3.29Å; F117-D122 HydrophobicContact CB-CB 4.25Å; F117-D122 HydrophobicContact CD1-CB 4.18Å; F117-D122 HydrophobicContact CG-CB 4.28Å; R119-D122 HydrophobicContact CB-CB 4.25Å; R119-D122 WeakPolarHBondContact CB-OD2 3.31Å; R119-D122 PolarHBondContact O-N 3.47Å; E120-D122 VanDerWaalsContact C-N 3.29Å; E120-D122 PolarHBondContact O-N 2.92Å; D122-A126 WeakPolarHBondContact O-CB 3.28Å; D122-A126 PolarHBondContact O-N 3.09Å
123	A	98.5	Very high	97.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-46.1	176.2	0	0	0	0	0	112.2	G43 I46 F117 R119 E120 E121 K125 A126 V127 L144	G43-A123 VanDerWaalsContact O-CB 3.27Å; G43-A123 WeakPolarHBondContact O-CB 3.36Å; I46-A123 HydrophobicContact CG2-CB 3.76Å; F117-A123 HydrophobicContact CB-CB 4.36Å; F117-A123 HydrophobicContact CD2-CB 3.74Å; F117-A123 HydrophobicContact CG-CB 4.39Å; R119-A123 PolarHBondContact O-N 3Å; E120-A123 WeakPolarHBondContact O-CB 3.48Å; E120-A123 PolarHBondContact O-N 2.92Å; E121-A123 VanDerWaalsContact C-N 3.35Å; A123-K125 PolarHBondContact O-N 2.88Å; A123-A126 WeakPolarHBondContact O-CB 3.37Å; A123-A126 PolarHBondContact O-N 3.11Å; A123-V127 WeakPolarHBondContact O-CG2 3.38Å; A123-V127 PolarHBondContact O-N 2.82Å; A123-L144 HydrophobicContact CB-CD2 4.29Å
124	E	97.8	Very high	97.7	Very high	100 Å²	100	65 Å²	65	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-47.1	176.6	-177.4	179.5	-151.1	0	0	111.2	E120 A126 V127 Q128	E120-E124 PolarHBondContact O-N 2.97Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.81Å; E124-V127 PolarHBondContact O-N 2.79Å; E124-Q128 WeakPolarHBondContact O-CG 3.26Å; E124-Q128 PolarHBondContact O-N 2.9Å; E124-Q128 VanDerWaalsContact O-N 3.08Å
125	K	98	Very high	97.5	Very high	108 Å²	108	67.7 Å²	67.7	47%	0.47	30%	0.301	S	S	.	.	H	α-helix	trans	-58.8	-41.8	175.4	-173.6	-170.3	176.1	-160	0	111.6	K92 Y93 E121 A123 Q128 D129	K92-K125 PolarHBondContact O-NZ 3.48Å; Y93-K125 HydrophobicContact CD1-CD 4.45Å; Y93-K125 HydrophobicContact CD1-CG 4.4Å; E121-K125 WeakPolarHBondContact O-CB 3.19Å; E121-K125 PolarHBondContact O-N 2.78Å; E121-K125 VanDerWaalsContact O-N 3.08Å; A123-K125 PolarHBondContact O-N 2.88Å; K125-Q128 PolarHBondContact O-N 2.99Å; K125-D129 PolarHBondContact O-N 3.04Å
126	A	98.6	Very high	97	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-44	177.5	0	0	0	0	0	111.7	I46 Y93 F117 D122 A123 E124 Q128 L130	I46-A126 HydrophobicContact CD1-CB 4Å; Y93-A126 HydrophobicContact CD1-CB 4Å; Y93-A126 HydrophobicContact CD2-CB 3.48Å; Y93-A126 VanDerWaalsContact CD2-CB 3.48Å; Y93-A126 HydrophobicContact CE1-CB 4.41Å; Y93-A126 HydrophobicContact CE2-CB 3.92Å; Y93-A126 HydrophobicContact CG-CB 3.53Å; F117-A126 HydrophobicContact CE2-CB 3.79Å; F117-A126 HydrophobicContact CZ-CB 3.81Å; D122-A126 WeakPolarHBondContact O-CB 3.28Å; D122-A126 PolarHBondContact O-N 3.09Å; A123-A126 WeakPolarHBondContact O-CB 3.37Å; A123-A126 PolarHBondContact O-N 3.11Å; E124-A126 VanDerWaalsContact C-N 3.29Å; E124-A126 PolarHBondContact O-N 2.81Å; A126-Q128 PolarHBondContact O-N 3.09Å; A126-L130 HydrophobicContact CB-CD1 4.25Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CD1 3.5Å; A126-L130 WeakPolarHBondContact O-CG 3.39Å; A126-L130 PolarHBondContact O-N 3.35Å
127	V	98.4	Very high	96.7	Very high	22 Å²	22	73 Å²	73	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-44.1	177.5	172.2	0	0	0	0	111.4	I46 A123 E124 N131 L144	I46-V127 HydrophobicContact CB-CG2 4Å; I46-V127 HydrophobicContact CG2-CG2 3.51Å; A123-V127 WeakPolarHBondContact O-CG2 3.38Å; A123-V127 PolarHBondContact O-N 2.82Å; E124-V127 PolarHBondContact O-N 2.79Å; V127-N131 PolarHBondContact O-N 3.1Å; V127-N131 PolarHBondContact O-ND2 3.1Å; V127-L144 HydrophobicContact CG2-CD2 4.2Å; V127-L144 HydrophobicContact CG2-CG 4.24Å
128	Q	97.2	Very high	96.4	Very high	119 Å²	119	77.8 Å²	77.8	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-51.1	-180	-68.3	174.2	8.2	0	0	111.4	E124 K125 A126	E124-Q128 WeakPolarHBondContact O-CG 3.26Å; E124-Q128 PolarHBondContact O-N 2.9Å; E124-Q128 VanDerWaalsContact O-N 3.08Å; K125-Q128 PolarHBondContact O-N 2.99Å; A126-Q128 PolarHBondContact O-N 3.09Å
129	D	98.3	Very high	96.4	Very high	60 Å²	60	75.5 Å²	75.5	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-69.5	-43.4	-178.4	-169.8	76.5	0	0	0	112.1	Y93 K125 N131 E132 R133	Y93-D129 HydrophobicContact CE1-CB 3.69Å; Y93-D129 PolarHBondContact OH-OD2 3.05Å; K125-D129 PolarHBondContact O-N 3.04Å; D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.36Å; D129-E132 PolarHBondContact O-N 3.29Å; D129-E132 VanDerWaalsContact O-N 3.11Å; D129-R133 VanDerWaalsContact O-CG 3.31Å; D129-R133 WeakPolarHBondContact O-CG 3.33Å; D129-R133 VanDerWaalsContact OD2-CD 3.3Å; D129-R133 WeakPolarHBondContact OD2-CD 3.31Å; D129-R133 IonicContact OD2-NH1 3.65Å
130	L	98.3	Very high	96.5	Very high	12 Å²	12	70.7 Å²	70.7	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-33.4	-175.8	-71.3	170.8	0	0	0	112.6	I46 L48 Y93 A126 E132 R133 V140 A142	I46-L130 HydrophobicContact CD1-CD1 3.87Å; L48-L130 HydrophobicContact CD1-CD1 4.23Å; L48-L130 HydrophobicContact CD2-CD1 3.71Å; Y93-L130 HydrophobicContact CE2-CD1 3.99Å; Y93-L130 HydrophobicContact CE2-CD2 4.04Å; Y93-L130 HydrophobicContact CE2-CG 3.92Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.45Å; Y93-L130 WeakPolarHBondContact OH-CG 3.12Å; A126-L130 HydrophobicContact CB-CD1 4.25Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 WeakPolarHBondContact O-CD1 3.5Å; A126-L130 WeakPolarHBondContact O-CG 3.39Å; A126-L130 PolarHBondContact O-N 3.35Å; L130-E132 PolarHBondContact O-N 3.33Å; L130-R133 WeakPolarHBondContact O-CB 3.06Å; L130-R133 PolarHBondContact O-N 3.13Å; L130-V140 HydrophobicContact CB-CG1 4.13Å; L130-V140 WeakPolarHBondContact O-CB 3.5Å; L130-A142 HydrophobicContact CB-CB 3.85Å
131	N	97.8	Very high	96.5	Very high	72 Å²	72	71.6 Å²	71.6	39%	0.385	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.6	176.5	-81.7	-53.8	0	0	0	113.9	V127 D129 R133 A142	V127-N131 PolarHBondContact O-N 3.1Å; V127-N131 PolarHBondContact O-ND2 3.1Å; D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.36Å; N131-R133 VanDerWaalsContact C-N 3.35Å; N131-A142 PolarHBondContact ND2-O 2.82Å; N131-A142 PolarHBondContact OD1-N 2.86Å; N131-A142 PolarHBondContact OD1-O 3.02Å
132	E	97.3	Very high	96.5	Very high	159 Å²	159	66.4 Å²	66.4	74%	0.743	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	2.6	174.8	-60.5	-176.2	176.9	0	0	112.3	D129 L130	D129-E132 PolarHBondContact O-N 3.29Å; D129-E132 VanDerWaalsContact O-N 3.11Å; L130-E132 PolarHBondContact O-N 3.33Å
133	R	97	Very high	96.5	Very high	66 Å²	66	66.3 Å²	66.3	25%	0.249	34%	0.343	C	S	.	.			trans	-112.5	163	-171	-68	-176.5	65.7	-178.8	-0.1	112.9	E88 K92 Y93 D129 L130 N131 V140	E88-R133 IonicContact OE1-CZ 2.7Å; E88-R133 IonicContact OE1-NH1 3.77Å; E88-R133 PolarHBondContact OE1-NH1 3.42Å; E88-R133 IonicContact OE1-NH2 3.09Å; E88-R133 PolarHBondContact OE1-NH2 2.7Å; K92-R133 VanDerWaalsContact NZ-NH1 3.1Å; Y93-R133 PolarHBondContact OH-NH1 2.94Å; D129-R133 VanDerWaalsContact O-CG 3.31Å; D129-R133 WeakPolarHBondContact O-CG 3.33Å; D129-R133 VanDerWaalsContact OD2-CD 3.3Å; D129-R133 WeakPolarHBondContact OD2-CD 3.31Å; D129-R133 IonicContact OD2-NH1 3.65Å; L130-R133 WeakPolarHBondContact O-CB 3.06Å; L130-R133 PolarHBondContact O-N 3.13Å; N131-R133 VanDerWaalsContact C-N 3.35Å; R133-V140 PolarHBondContact O-N 2.97Å
134	W	95.5	Very high	96.5	Very high	176 Å²	176	67.5 Å²	67.5	67%	0.667	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.6	-178.4	-66.6	65.6	0	0	0	109.5	G137 R138	W134-G137 WeakPolarHBondContact CZ3-O 3.42Å; W134-R138 CarbonylContact C-O 3.59Å; W134-R138 VanDerWaalsContact CA-O 3.24Å; W134-R138 WeakPolarHBondContact CA-O 3.26Å
135	F	93.8	Very high	96.5	Very high	56 Å²	56	63 Å²	63	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.5	176.8	-172.2	-93.7	0	0	0	109.1	L51 F81 E84 V85 G137 R138 V140	L51-F135 HydrophobicContact CD1-CB 3.7Å; L51-F135 HydrophobicContact CD1-CD1 3.77Å; L51-F135 HydrophobicContact CD1-CG 3.84Å; L51-F135 HydrophobicContact CG-CD1 4.26Å; F81-F135 AromaticContact CD2-CE1 3.63Å; F81-F135 HydrophobicContact CD2-CE1 3.63Å; F81-F135 AromaticContact CD2-CZ 3.57Å; F81-F135 HydrophobicContact CD2-CZ 3.57Å; F81-F135 HydrophobicContact CE2-CD1 4.34Å; F81-F135 AromaticContact CE2-CE1 3.48Å; F81-F135 HydrophobicContact CE2-CE1 3.48Å; F81-F135 VanDerWaalsContact CE2-CE1 3.48Å; F81-F135 AromaticContact CE2-CZ 3.72Å; F81-F135 HydrophobicContact CE2-CZ 3.72Å; E84-F135 HydrophobicContact CG-CE2 4.4Å; V85-F135 HydrophobicContact CG2-CE2 4.44Å; F135-G137 PolarHBondContact O-N 2.9Å; F135-G137 VanDerWaalsContact O-N 3.17Å; F135-R138 PolarHBondContact N-O 2.76Å; F135-R138 PolarHBondContact O-N 2.83Å; F135-V140 HydrophobicContact CB-CG2 3.71Å
136	G	88.8	Confident	96.4	Very high	76 Å²	76	58.7 Å²	58.7	78%	0.784	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.7	-177.7	0	0	0	0	0	114.1	R138	G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.83Å
137	G	91	Very high	96.3	Very high	63 Å²	63	58.8 Å²	58.8	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	8.2	-177.5	0	0	0	0	0	115.3	W134 F135	W134-G137 WeakPolarHBondContact CZ3-O 3.42Å; F135-G137 PolarHBondContact O-N 2.9Å; F135-G137 VanDerWaalsContact O-N 3.17Å
138	R	92.7	Very high	95.9	Very high	100 Å²	100	62.7 Å²	62.7	38%	0.377	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.1	176.3	-62.2	172.3	69.2	-148.7	2.7	110.4	N50 W134 F135 G136	N50-R138 PolarHBondContact ND2-NH2 2.8Å; N50-R138 PolarHBondContact O-NH1 3.17Å; W134-R138 CarbonylContact C-O 3.59Å; W134-R138 VanDerWaalsContact CA-O 3.24Å; W134-R138 WeakPolarHBondContact CA-O 3.26Å; F135-R138 PolarHBondContact N-O 2.76Å; F135-R138 PolarHBondContact O-N 2.83Å; G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.83Å
139	P	96.5	Very high	95.7	Very high	60 Å²	60	59.6 Å²	59.6	39%	0.39	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	143.2	171	28.8	-34.7	0	0	0	110
140	V	97.8	Very high	95.5	Very high	8 Å²	8	57 Å²	57	5%	0.048	31%	0.309	C	S	.	.			trans	-84.9	133.1	174.4	176.6	0	0	0	0	108.9	L48 L51 L130 R133 F135	L48-V140 HydrophobicContact CD2-CG1 4.28Å; L51-V140 HydrophobicContact CD1-CG1 4.37Å; L51-V140 HydrophobicContact CD1-CG2 3.89Å; L130-V140 HydrophobicContact CB-CG1 4.13Å; L130-V140 WeakPolarHBondContact O-CB 3.5Å; R133-V140 PolarHBondContact O-N 2.97Å; F135-V140 HydrophobicContact CB-CG2 3.71Å
141	H	97.6	Very high	95.3	Very high	100 Å²	100	64.8 Å²	64.8	46%	0.463	34%	0.338	S	S	.	.			trans	-109.5	100.1	175.4	-65.6	-56.6	0	0	0	109.3	L48 Q49	L48-H141 CarbonylContact C-O 3.58Å; L48-H141 WeakPolarHBondContact CA-O 3.47Å; Q49-H141 HydrophobicContact CB-CB 4.2Å; Q49-H141 PolarHBondContact N-O 2.91Å
142	A	98.3	Very high	94.9	Very high	8 Å²	8	65.9 Å²	65.9	7%	0.066	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.2	-178.5	0	0	0	0	0	111	L47 L48 L130 N131	L47-A142 CarbonylContact O-C 3.51Å; L47-A142 WeakPolarHBondContact O-CA 3.47Å; L48-A142 HydrophobicContact CD2-CB 3.43Å; L48-A142 VanDerWaalsContact CD2-CB 3.43Å; L130-A142 HydrophobicContact CB-CB 3.85Å; N131-A142 PolarHBondContact ND2-O 2.82Å; N131-A142 PolarHBondContact OD1-N 2.86Å; N131-A142 PolarHBondContact OD1-O 3.02Å
143	E	97.6	Very high	94.8	Very high	28 Å²	28	58.3 Å²	58.3	13%	0.131	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.6	171.3	63.6	-178.3	177.3	0	0	111.7	K39 I46 L47 Q49	K39-E143 IonicContact NZ-OE2 3.5Å; K39-E143 PolarHBondContact NZ-OE2 3.06Å; I46-E143 CarbonylContact C-O 3.54Å; I46-E143 VanDerWaalsContact CA-O 3.26Å; I46-E143 WeakPolarHBondContact CA-O 3.43Å; L47-E143 HydrophobicContact CB-CG 4.2Å; L47-E143 HydrophobicContact CD2-CG 4.49Å; L47-E143 HydrophobicContact CG-CG 4.5Å; L47-E143 PolarHBondContact N-O 3.2Å; L47-E143 PolarHBondContact O-N 3.44Å; Q49-E143 VanDerWaalsContact NE2-CD 3.33Å; Q49-E143 PolarHBondContact NE2-OE1 3.29Å
144	L	98.3	Very high	94.8	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135	169.6	-69.1	170.3	0	0	0	109.4	P40 I46 A123 V127	P40-L144 HydrophobicContact CG-CB 3.8Å; I46-L144 HydrophobicContact CG2-CD2 4.18Å; A123-L144 HydrophobicContact CB-CD2 4.29Å; V127-L144 HydrophobicContact CG2-CD2 4.2Å; V127-L144 HydrophobicContact CG2-CG 4.24Å
145	S	97.7	Very high	94.8	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.035	27%	0.266	C	S	.	.			trans	-106.2	136.5	-179.5	-166.4	0	0	0	0	110.6	T45 V147	T45-S145 PolarHBondContact O-N 2.54Å; S145-V147 PolarHBondContact O-N 3.27Å; S145-V147 WeakPolarHBondContact OG-CG2 3.43Å
146	P	95.8	Very high	94.9	Very high	17 Å²	17	52.6 Å²	52.6	11%	0.11	28%	0.284	C	S	.	.			trans	-71.4	-6.5	175.4	31.5	-37.3	0	0	0	113.2	Y21 F22 P40 T148	Y21-P146 HydrophobicContact CD1-CG 4.29Å; Y21-P146 HydrophobicContact CE1-CG 3.97Å; Y21-P146 WeakPolarHBondContact O-CG 3.46Å; F22-P146 HydrophobicContact CD2-CB 4.46Å; P40-P146 HydrophobicContact CG-CB 4.49Å; P146-T148 PolarHBondContact O-N 2.82Å
147	V	95.9	Very high	95.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	27%	0.265	C	S	.	.			trans	-69.6	116.4	-175.7	-175.2	0	0	0	0	110.8	K23 I24 G25 T45 Y114 S145 F150 A153 M172	K23-V147 WeakPolarHBondContact O-CG2 3.45Å; I24-V147 WeakPolarHBondContact O-CG2 3.45Å; G25-V147 VanDerWaalsContact N-CG2 3.33Å; T45-V147 WeakPolarHBondContact CB-O 3.41Å; T45-V147 PolarHBondContact OG1-O 2.9Å; Y114-V147 HydrophobicContact CD1-CG2 4.47Å; Y114-V147 HydrophobicContact CE1-CG2 4.1Å; S145-V147 PolarHBondContact O-N 3.27Å; S145-V147 WeakPolarHBondContact OG-CG2 3.43Å; V147-F150 HydrophobicContact CG1-CD1 3.89Å; V147-F150 HydrophobicContact CG1-CE1 3.9Å; V147-A153 HydrophobicContact CG1-CB 4.22Å; V147-M172 HydrophobicContact CG1-CE 4.4Å; V147-M172 HydrophobicContact CG2-CE 4.08Å
148	T	91.1	Very high	95.4	Very high	104 Å²	104	53 Å²	53	64%	0.638	25%	0.247	S	C	*	.			trans	-106	-29.1	177.7	56.6	0	0	0	0	114	K116 P146	K116-T148 PolarHBondContact NZ-O 2.97Å; P146-T148 PolarHBondContact O-N 2.82Å
149	D	92.1	Very high	95.4	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	26%	0.257	S	S	.	.			trans	-128.5	110	178.1	-170.3	-17.7	0	0	0	109.8	R151 E152	D149-R151 VanDerWaalsContact C-N 3.26Å; D149-R151 PolarHBondContact O-N 3.49Å; D149-R151 VanDerWaalsContact OD1-CB 3.31Å; D149-R151 WeakPolarHBondContact OD1-CB 3.49Å; D149-R151 WeakPolarHBondContact OD1-CG 3.18Å; D149-R151 PolarHBondContact OD1-N 3.45Å; D149-R151 IonicContact OD1-NE 2.75Å; D149-R151 PolarHBondContact OD1-NE 3.17Å; D149-R151 VanDerWaalsContact OD1-NE 3.17Å; D149-R151 IonicContact OD1-NH2 3.57Å; D149-R151 IonicContact OD2-CZ 3.78Å; D149-R151 IonicContact OD2-NE 3.17Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 2.79Å; D149-R151 PolarHBondContact OD2-NH2 3.36Å; D149-E152 PolarHBondContact O-N 3.34Å
150	F	95	Very high	95.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-25.6	-179.8	-71.2	-68.8	0	0	0	113.1	T45 E98 N100 Y114 K116 V147 E152 A153 C154 M172	T45-F150 HydrophobicContact CG2-CE1 4.46Å; T45-F150 HydrophobicContact CG2-CZ 3.79Å; E98-F150 HydrophobicContact CB-CD2 4.37Å; E98-F150 HydrophobicContact CB-CE2 4.21Å; E98-F150 VanDerWaalsContact CD-CD2 3.49Å; E98-F150 HydrophobicContact CG-CD2 4.15Å; E98-F150 HydrophobicContact CG-CE2 4.34Å; E98-F150 WeakPolarHBondContact OE2-CD2 3.43Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.35Å; N100-F150 VanDerWaalsContact ND2-CG 3.28Å; N100-F150 WeakPolarHBondContact ND2-CG 3.4Å; Y114-F150 HydrophobicContact CD1-CE1 4.06Å; Y114-F150 AromaticContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CE1 3.84Å; Y114-F150 HydrophobicContact CG-CZ 4.47Å; K116-F150 HydrophobicContact CB-CE2 3.85Å; K116-F150 HydrophobicContact CB-CZ 4.37Å; K116-F150 HydrophobicContact CD-CE2 4.37Å; V147-F150 HydrophobicContact CG1-CD1 3.89Å; V147-F150 HydrophobicContact CG1-CE1 3.9Å; F150-E152 VanDerWaalsContact C-N 3.27Å; F150-E152 PolarHBondContact O-N 3.18Å; F150-A153 CarbonylContact O-C 3.55Å; F150-A153 WeakPolarHBondContact O-CA 3.48Å; F150-A153 WeakPolarHBondContact O-CB 3.45Å; F150-A153 PolarHBondContact O-N 3.35Å; F150-C154 PolarHBondContact O-N 2.9Å; F150-C154 PolarHBondContact O-SG 3.33Å; F150-M172 HydrophobicContact CD1-CE 4.5Å; F150-M172 HydrophobicContact CD1-SD 4.05Å; F150-M172 HydrophobicContact CE1-SD 4.44Å
151	R	92.9	Very high	95	Very high	176 Å²	176	60.4 Å²	60.4	66%	0.664	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-34	-177.9	-60.5	175.8	-62.6	166.1	5.7	112.2	D149 A153	D149-R151 VanDerWaalsContact C-N 3.26Å; D149-R151 PolarHBondContact O-N 3.49Å; D149-R151 VanDerWaalsContact OD1-CB 3.31Å; D149-R151 WeakPolarHBondContact OD1-CB 3.49Å; D149-R151 WeakPolarHBondContact OD1-CG 3.18Å; D149-R151 PolarHBondContact OD1-N 3.45Å; D149-R151 IonicContact OD1-NE 2.75Å; D149-R151 PolarHBondContact OD1-NE 3.17Å; D149-R151 VanDerWaalsContact OD1-NE 3.17Å; D149-R151 IonicContact OD1-NH2 3.57Å; D149-R151 IonicContact OD2-CZ 3.78Å; D149-R151 IonicContact OD2-NE 3.17Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 2.79Å; D149-R151 PolarHBondContact OD2-NH2 3.36Å; R151-A153 VanDerWaalsContact C-N 3.3Å
152	E	90.3	Very high	94.8	Very high	95 Å²	95	62.2 Å²	62.2	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-79.3	-17.7	175.1	-68	-62.1	127.1	0	0	112.3	D149 F150 R156	D149-E152 PolarHBondContact O-N 3.34Å; F150-E152 VanDerWaalsContact C-N 3.27Å; F150-E152 PolarHBondContact O-N 3.18Å; E152-R156 IonicContact OE1-NH2 2.82Å
153	A	95.1	Very high	94.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-88.7	-23.9	176.7	0	0	0	0	0	113.4	K23 I24 V147 F150 R151 F171 M172	K23-A153 WeakPolarHBondContact O-CB 3.17Å; I24-A153 HydrophobicContact CD1-CB 3.83Å; V147-A153 HydrophobicContact CG1-CB 4.22Å; F150-A153 CarbonylContact O-C 3.55Å; F150-A153 WeakPolarHBondContact O-CA 3.48Å; F150-A153 WeakPolarHBondContact O-CB 3.45Å; F150-A153 PolarHBondContact O-N 3.35Å; R151-A153 VanDerWaalsContact C-N 3.3Å; A153-F171 CarbonylContact O-C 3.57Å; A153-F171 WeakPolarHBondContact O-CA 3.32Å; A153-F171 WeakPolarHBondContact O-CB 3.46Å; A153-M172 HydrophobicContact CB-CE 3.84Å; A153-M172 HydrophobicContact CB-CG 4.28Å; A153-M172 HydrophobicContact CB-SD 3.87Å; A153-M172 PolarHBondContact O-N 3.27Å
154	C	96.5	Very high	94.5	Very high	10 Å²	10	68.1 Å²	68.1	7%	0.068	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-74	145.4	-178.3	-69.4	0	0	0	0	113	F150 R156 E159 L174	F150-C154 PolarHBondContact O-N 2.9Å; F150-C154 PolarHBondContact O-SG 3.33Å; C154-R156 PolarHBondContact O-N 3.07Å; C154-E159 VanDerWaalsContact CB-OE1 3.26Å; C154-E159 WeakPolarHBondContact CB-OE1 3.24Å; C154-L174 WeakPolarHBondContact SG-CD1 3.23Å
155	C	96.8	Very high	94.3	Very high	4 Å²	4	71.9 Å²	71.9	3%	0.027	36%	0.361	C	S	.	.			trans	-80.9	104.1	175.1	-173.3	0	0	0	0	110.2	Q157 Y158 E159 C169 F171 M172 H173	C155-Q157 PolarHBondContact O-N 2.98Å; C155-Y158 WeakPolarHBondContact O-CA 3.35Å; C155-Y158 WeakPolarHBondContact O-CB 3.25Å; C155-Y158 PolarHBondContact O-N 3.01Å; C155-E159 PolarHBondContact O-N 2.93Å; C155-C169 VanDerWaalsContact SG-SG 3.7Å; C155-F171 HydrophobicContact CB-CB 3.56Å; C155-M172 PolarHBondContact N-O 2.84Å; C155-H173 VanDerWaalsContact CB-CD2 3.45Å; C155-H173 WeakPolarHBondContact CB-CD2 3.38Å
156	R	94.9	Very high	93.9	Very high	164 Å²	164	73 Å²	73	62%	0.619	37%	0.373	S	S	*	.	H	α-helix	trans	-55.8	-34.1	176.9	-61.1	-177.2	-174.7	175.7	2.1	113.8	E152 C154 Y158 L160	E152-R156 IonicContact OE1-NH2 2.82Å; C154-R156 PolarHBondContact O-N 3.07Å; R156-Y158 VanDerWaalsContact C-N 3.35Å; R156-L160 WeakPolarHBondContact O-CG 3.4Å; R156-L160 PolarHBondContact O-N 3.17Å
157	Q	95.7	Very high	93.7	Very high	80 Å²	80	73.7 Å²	73.7	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-69	-35	175.9	-68.3	-179	-36.7	0	0	111.7	C155 L160 G161 E162 C163	C155-Q157 PolarHBondContact O-N 2.98Å; Q157-L160 PolarHBondContact O-N 2.82Å; Q157-G161 PolarHBondContact O-N 3.28Å; Q157-E162 PolarHBondContact O-N 3.22Å; Q157-C163 HydrophobicContact CB-CB 4.03Å; Q157-C163 PolarHBondContact O-N 2.91Å
158	Y	95.3	Very high	93.6	Very high	69 Å²	69	81.3 Å²	81.3	27%	0.271	42%	0.417	S	S	.	.	H	α-helix	trans	-72.3	-37.6	177	-178.9	-96.1	0	0	0	111.4	C155 R156 L160 G161 C163 H173	C155-Y158 WeakPolarHBondContact O-CA 3.35Å; C155-Y158 WeakPolarHBondContact O-CB 3.25Å; C155-Y158 PolarHBondContact O-N 3.01Å; R156-Y158 VanDerWaalsContact C-N 3.35Å; Y158-L160 PolarHBondContact O-N 3.22Å; Y158-G161 PolarHBondContact O-N 2.87Å; Y158-C163 HydrophobicContact CD2-CB 4.44Å; Y158-H173 HydrophobicContact CD1-CB 3.72Å; Y158-H173 AromaticContact CD1-CG 3.98Å; Y158-H173 HydrophobicContact CD2-CB 3.83Å; Y158-H173 AromaticContact CD2-CD2 3.88Å; Y158-H173 AromaticContact CD2-CE1 3.73Å; Y158-H173 AromaticContact CD2-CG 3.42Å; Y158-H173 VanDerWaalsContact CD2-CG 3.42Å; Y158-H173 AromaticContact CD2-ND1 3.32Å; Y158-H173 VanDerWaalsContact CD2-ND1 3.32Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.4Å; Y158-H173 HydrophobicContact CE1-CB 3.73Å; Y158-H173 HydrophobicContact CE2-CB 3.82Å; Y158-H173 AromaticContact CE2-CG 3.85Å; Y158-H173 AromaticContact CE2-ND1 3.69Å; Y158-H173 HydrophobicContact CG-CB 3.76Å; Y158-H173 AromaticContact CG-CD2 3.62Å; Y158-H173 AromaticContact CG-CG 3.48Å; Y158-H173 VanDerWaalsContact CG-CG 3.48Å; Y158-H173 AromaticContact CG-ND1 3.87Å
159	E	92.1	Very high	93.9	Very high	126 Å²	126	76.4 Å²	76.4	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-56.9	-30.1	172.4	-68.3	175	175.9	0	0	112.4	C154 C155	C154-E159 VanDerWaalsContact CB-OE1 3.26Å; C154-E159 WeakPolarHBondContact CB-OE1 3.24Å; C155-E159 PolarHBondContact O-N 2.93Å
160	L	93.6	Very high	94	Very high	128 Å²	128	74.2 Å²	74.2	67%	0.67	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.9	174.9	-62.3	173.9	0	0	0	113.7	R156 Q157 Y158 E162	R156-L160 WeakPolarHBondContact O-CG 3.4Å; R156-L160 PolarHBondContact O-N 3.17Å; Q157-L160 PolarHBondContact O-N 2.82Å; Y158-L160 PolarHBondContact O-N 3.22Å; L160-E162 HydrophobicContact CB-CG 4.43Å
161	G	91.6	Very high	94	Very high	69 Å²	69	76.5 Å²	76.5	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	15.2	-176.9	0	0	0	0	0	114.9	Q157 Y158	Q157-G161 PolarHBondContact O-N 3.28Å; Y158-G161 PolarHBondContact O-N 2.87Å
162	E	94.5	Very high	94.3	Very high	137 Å²	137	68.2 Å²	68.2	64%	0.64	35%	0.354	S	S	*	.			trans	-118.2	12.4	-169.2	-62.6	-179.9	170.3	0	0	113.5	Q157 L160 T164	Q157-E162 PolarHBondContact O-N 3.22Å; L160-E162 HydrophobicContact CB-CG 4.43Å; E162-T164 PolarHBondContact O-N 2.79Å; E162-T164 VanDerWaalsContact O-N 3.15Å
163	C	95.3	Very high	94.6	Very high	28 Å²	28	64.1 Å²	64.1	19%	0.189	34%	0.335	C	S	.	.			trans	-71.9	111.6	-179.6	-172.4	0	0	0	0	111.7	Q157 Y158 H173	Q157-C163 HydrophobicContact CB-CB 4.03Å; Q157-C163 PolarHBondContact O-N 2.91Å; Y158-C163 HydrophobicContact CD2-CB 4.44Å; C163-H173 VanDerWaalsContact SG-CE1 3.53Å; C163-H173 PolarHBondContact SG-NE2 2.82Å
164	T	94.3	Very high	94.6	Very high	132 Å²	132	66 Å²	66	81%	0.81	34%	0.344	S	S	*	.			trans	-95.9	5.9	178.7	54.7	0	0	0	0	113.8	E162 G166	E162-T164 PolarHBondContact O-N 2.79Å; E162-T164 VanDerWaalsContact O-N 3.15Å; T164-G166 VanDerWaalsContact C-N 3.31Å; T164-G166 PolarHBondContact O-N 3.24Å
165	R	93.8	Very high	94.5	Very high	104 Å²	104	66.7 Å²	66.7	39%	0.392	35%	0.346	S	S	.	.			trans	-77.4	-16.1	-175.6	-62.4	178.2	-176.1	178	-0.7	113.6	G167 F168 C169	R165-G167 PolarHBondContact O-N 2.73Å; R165-F168 WeakPolarHBondContact O-CB 3.3Å; R165-F168 PolarHBondContact O-N 3.34Å; R165-C169 HydrophobicContact CB-CB 3.76Å
166	G	90.4	Very high	94.4	Very high	29 Å²	29	70.8 Å²	70.8	30%	0.299	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	52	-132.8	-178.7	0	0	0	0	0	112.5	T164 F168 C169	T164-G166 VanDerWaalsContact C-N 3.31Å; T164-G166 PolarHBondContact O-N 3.24Å; G166-F168 PolarHBondContact O-N 2.83Å; G166-F168 VanDerWaalsContact O-N 3.16Å; G166-C169 PolarHBondContact O-N 2.87Å
167	G	90.5	Very high	94.3	Very high	31 Å²	31	64.9 Å²	64.9	32%	0.32	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-66.5	-8.2	177.7	0	0	0	0	0	115.5	G106 R165	G106-G167 VanDerWaalsContact CA-O 3.3Å; G106-G167 WeakPolarHBondContact CA-O 3.27Å; R165-G167 PolarHBondContact O-N 2.73Å
168	F	94.3	Very high	94.2	Very high	162 Å²	162	63 Å²	63	71%	0.711	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-95.5	0.5	179.3	-57.1	-75.7	0	0	0	113.6	R165 G166 N170	R165-F168 WeakPolarHBondContact O-CB 3.3Å; R165-F168 PolarHBondContact O-N 3.34Å; G166-F168 PolarHBondContact O-N 2.83Å; G166-F168 VanDerWaalsContact O-N 3.16Å; F168-N170 PolarHBondContact O-N 3.31Å; F168-N170 PolarHBondContact O-ND2 2.75Å
169	C	96.7	Very high	94	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.007	38%	0.377	C	S	.	.			trans	-68.3	129.4	174.8	-161.1	0	0	0	0	110.5	H108 C155 R165 G166 H173	H108-C169 PolarHBondContact CE1-O 3.45Å; H108-C169 PolarHBondContact NE2-O 3.25Å; C155-C169 VanDerWaalsContact SG-SG 3.7Å; R165-C169 HydrophobicContact CB-CB 3.76Å; G166-C169 PolarHBondContact O-N 2.87Å; C169-H173 PolarHBondContact SG-NE2 3.32Å
170	N	94	Very high	94	Very high	10 Å²	10	71.5 Å²	71.5	5%	0.053	38%	0.381	C	S	.	.			trans	-96.2	1.1	176.3	-52.7	-84.6	0	0	0	113	F20 I24 R28 F168	F20-N170 HydrophobicContact CD1-CB 3.54Å; F20-N170 HydrophobicContact CE1-CB 3.57Å; F20-N170 HydrophobicContact CG-CB 4.21Å; F20-N170 HydrophobicContact CZ-CB 4.25Å; I24-N170 WeakPolarHBondContact CG1-O 3.35Å; R28-N170 VanDerWaalsContact CZ-ND2 3.34Å; R28-N170 VanDerWaalsContact CZ-OD1 3.29Å; R28-N170 PolarHBondContact NE-OD1 2.82Å; R28-N170 PolarHBondContact NH2-ND2 3.11Å; R28-N170 PolarHBondContact NH2-OD1 2.86Å; F168-N170 PolarHBondContact O-N 3.31Å; F168-N170 PolarHBondContact O-ND2 2.75Å
171	F	96.6	Very high	93.9	Very high	52 Å²	52	65.9 Å²	65.9	23%	0.228	35%	0.352	C	S	.	.	S	Bend	trans	-106.7	149.7	-180	-68	-87.7	0	0	0	108.9	F20 I24 N104 A153 C155 H173	F20-F171 HydrophobicContact CE1-CE2 4.42Å; I24-F171 HydrophobicContact CD1-CD1 3.9Å; I24-F171 HydrophobicContact CD1-CE1 4.34Å; N104-F171 PolarHBondContact ND2-O 3.39Å; A153-F171 CarbonylContact O-C 3.57Å; A153-F171 WeakPolarHBondContact O-CA 3.32Å; A153-F171 WeakPolarHBondContact O-CB 3.46Å; C155-F171 HydrophobicContact CB-CB 3.56Å; F171-H173 PolarHBondContact O-CD2 2.91Å; F171-H173 PolarHBondContact O-N 3.27Å
172	M	97.4	Very high	93.9	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-65.7	126.3	-176.5	-58.6	-178.8	-177.2	0	0	110.3	I24 Y114 V147 F150 A153 C155 L174	I24-M172 HydrophobicContact CG2-CE 3.85Å; I24-M172 HydrophobicContact CG2-CG 4.02Å; I24-M172 WeakPolarHBondContact O-CE 3.12Å; Y114-M172 HydrophobicContact CD1-CE 3.84Å; Y114-M172 HydrophobicContact CD2-CE 3.92Å; Y114-M172 HydrophobicContact CD2-SD 4.07Å; Y114-M172 HydrophobicContact CE1-CE 3.37Å; Y114-M172 HydrophobicContact CE2-CE 3.5Å; Y114-M172 VanDerWaalsContact CE2-CE 3.5Å; Y114-M172 HydrophobicContact CE2-SD 3.97Å; Y114-M172 HydrophobicContact CG-CE 4.08Å; Y114-M172 HydrophobicContact CG-SD 4.49Å; V147-M172 HydrophobicContact CG1-CE 4.4Å; V147-M172 HydrophobicContact CG2-CE 4.08Å; F150-M172 HydrophobicContact CD1-CE 4.5Å; F150-M172 HydrophobicContact CD1-SD 4.05Å; F150-M172 HydrophobicContact CE1-SD 4.44Å; A153-M172 HydrophobicContact CB-CE 3.84Å; A153-M172 HydrophobicContact CB-CG 4.28Å; A153-M172 HydrophobicContact CB-SD 3.87Å; A153-M172 PolarHBondContact O-N 3.27Å; C155-M172 PolarHBondContact N-O 2.84Å; M172-L174 HydrophobicContact CB-CD2 3.77Å; M172-L174 HydrophobicContact CB-CG 4.33Å; M172-L174 HydrophobicContact SD-CD2 4.37Å
173	H	96.7	Very high	93.7	Very high	10 Å²	10	66.3 Å²	66.3	5%	0.046	33%	0.333	C	S	.	.			trans	-95.2	98.2	166.8	-70.1	-172.9	0	0	0	106.1	C102 D103 N104 C155 Y158 C163 C169 F171	C102-H173 CarbonylContact C-O 3.58Å; C102-H173 WeakPolarHBondContact CA-O 3.43Å; D103-H173 PolarHBondContact N-O 3.15Å; N104-H173 PolarHBondContact OD1-N 3.02Å; C155-H173 VanDerWaalsContact CB-CD2 3.45Å; C155-H173 WeakPolarHBondContact CB-CD2 3.38Å; Y158-H173 HydrophobicContact CD1-CB 3.72Å; Y158-H173 AromaticContact CD1-CG 3.98Å; Y158-H173 HydrophobicContact CD2-CB 3.83Å; Y158-H173 AromaticContact CD2-CD2 3.88Å; Y158-H173 AromaticContact CD2-CE1 3.73Å; Y158-H173 AromaticContact CD2-CG 3.42Å; Y158-H173 VanDerWaalsContact CD2-CG 3.42Å; Y158-H173 AromaticContact CD2-ND1 3.32Å; Y158-H173 VanDerWaalsContact CD2-ND1 3.32Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.4Å; Y158-H173 HydrophobicContact CE1-CB 3.73Å; Y158-H173 HydrophobicContact CE2-CB 3.82Å; Y158-H173 AromaticContact CE2-CG 3.85Å; Y158-H173 AromaticContact CE2-ND1 3.69Å; Y158-H173 HydrophobicContact CG-CB 3.76Å; Y158-H173 AromaticContact CG-CD2 3.62Å; Y158-H173 AromaticContact CG-CG 3.48Å; Y158-H173 VanDerWaalsContact CG-CG 3.48Å; Y158-H173 AromaticContact CG-ND1 3.87Å; C163-H173 VanDerWaalsContact SG-CE1 3.53Å; C163-H173 PolarHBondContact SG-NE2 2.82Å; C169-H173 PolarHBondContact SG-NE2 3.32Å; F171-H173 PolarHBondContact O-CD2 2.91Å; F171-H173 PolarHBondContact O-N 3.27Å
174	L	96.3	Very high	93.6	Very high	39 Å²	39	70.3 Å²	70.3	20%	0.204	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-81.6	127.2	-173.9	-63.2	-169.7	0	0	0	111.4	N100 V101 C154 M172	N100-L174 HydrophobicContact CB-CD1 4.06Å; N100-L174 HydrophobicContact CB-CD2 3.79Å; V101-L174 WeakPolarHBondContact O-CA 3.1Å; C154-L174 WeakPolarHBondContact SG-CD1 3.23Å; M172-L174 HydrophobicContact CB-CD2 3.77Å; M172-L174 HydrophobicContact CB-CG 4.33Å; M172-L174 HydrophobicContact SD-CD2 4.37Å
175	K	94.5	Very high	93.4	Very high	25 Å²	25	64 Å²	64	11%	0.109	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-73.6	123	174	-164.6	159.4	177	168.1	0	110.1	Y52 F78 V101 D103	Y52-K175 HydrophobicContact CE1-CD 4.26Å; Y52-K175 PolarHBondContact OH-NZ 3.36Å; F78-K175 HydrophobicContact CB-CD 4.45Å; F78-K175 HydrophobicContact CD1-CD 3.95Å; F78-K175 HydrophobicContact CD1-CG 3.91Å; F78-K175 HydrophobicContact CD2-CD 3.57Å; F78-K175 HydrophobicContact CD2-CG 4.21Å; F78-K175 HydrophobicContact CE1-CB 3.98Å; F78-K175 HydrophobicContact CE1-CD 4.05Å; F78-K175 HydrophobicContact CE1-CG 3.62Å; F78-K175 HydrophobicContact CE2-CB 3.93Å; F78-K175 HydrophobicContact CE2-CD 3.69Å; F78-K175 HydrophobicContact CE2-CG 3.95Å; F78-K175 HydrophobicContact CG-CD 3.7Å; F78-K175 HydrophobicContact CG-CG 4.19Å; F78-K175 HydrophobicContact CZ-CB 3.55Å; F78-K175 HydrophobicContact CZ-CD 3.93Å; F78-K175 HydrophobicContact CZ-CG 3.64Å; V101-K175 PolarHBondContact O-N 2.98Å; D103-K175 HydrophobicContact CB-CB 4.08Å; D103-K175 HydrophobicContact CB-CD 4.46Å
176	P	93.5	Very high	93.1	Very high	89 Å²	89	61.9 Å²	61.9	58%	0.578	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-70.4	136.7	-179.9	28.6	-34.5	0	0	0	111.3	Q75 F78	Q75-P176 PolarHBondContact NE2-O 2.99Å; F78-P176 WeakPolarHBondContact CE1-O 3.19Å
177	I	93.6	Very high	93	Very high	40 Å²	40	64.1 Å²	64.1	21%	0.205	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-89.8	152.3	170.1	58.4	172.5	0	0	0	110.8	F78 F82 R179 C182 Y186	F78-I177 HydrophobicContact CE1-CG2 3.62Å; F78-I177 HydrophobicContact CZ-CG2 4.05Å; F82-I177 HydrophobicContact CB-CG2 4.25Å; F82-I177 HydrophobicContact CD1-CG2 3.88Å; F82-I177 HydrophobicContact CD2-CG2 3.4Å; F82-I177 VanDerWaalsContact CD2-CG2 3.4Å; F82-I177 HydrophobicContact CE1-CD1 3.91Å; F82-I177 HydrophobicContact CE1-CG2 4.04Å; F82-I177 HydrophobicContact CE2-CG2 3.58Å; F82-I177 HydrophobicContact CG-CG2 3.56Å; F82-I177 HydrophobicContact CZ-CD1 3.99Å; F82-I177 HydrophobicContact CZ-CG2 3.9Å; I177-R179 PolarHBondContact O-N 3.46Å; I177-C182 HydrophobicContact CD1-CB 3.54Å; I177-C182 HydrophobicContact CG1-CB 4.03Å; I177-Y186 HydrophobicContact CD1-CE2 4.44Å
178	S	93.3	Very high	92.7	Very high	40 Å²	40	66.3 Å²	66.3	28%	0.28	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58.4	138.2	174.1	-73	0	0	0	0	111.8	D79 E180 L181 C182	D79-S178 PolarHBondContact OD1-N 3.42Å; D79-S178 VanDerWaalsContact OD1-N 3.13Å; D79-S178 WeakPolarHBondContact OD2-CB 3.33Å; D79-S178 PolarHBondContact OD2-OG 3.18Å; S178-E180 PolarHBondContact O-N 3.33Å; S178-L181 WeakPolarHBondContact O-CB 3.31Å; S178-L181 PolarHBondContact O-N 3.35Å; S178-C182 PolarHBondContact O-N 3.32Å
179	R	90.7	Very high	92	Very high	229 Å²	229	58.8 Å²	58.8	86%	0.864	27%	0.272	S	S	*	.	H	α-helix	trans	-57.4	-35.2	-179.9	-173	178.2	179.4	-169.6	1.1	112.5	I177 R183	I177-R179 PolarHBondContact O-N 3.46Å; R179-R183 WeakPolarHBondContact O-CB 3.42Å; R179-R183 PolarHBondContact O-N 3Å
180	E	91.9	Very high	91.3	Very high	145 Å²	145	65.9 Å²	65.9	68%	0.678	30%	0.303	S	S	*	.	H	α-helix	trans	-64.1	-46.6	175	-177.7	171.3	-172.1	0	0	111.7	S178 R183 K184	S178-E180 PolarHBondContact O-N 3.33Å; E180-R183 PolarHBondContact O-N 3.41Å; E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 3.43Å
181	L	92.5	Very high	90.7	Very high	11 Å²	11	72.9 Å²	72.9	6%	0.058	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-47.2	178.2	-178.2	62.7	0	0	0	111.4	D79 F82 E83 S178 R183 K184 L185	D79-L181 HydrophobicContact CB-CD2 3.73Å; D79-L181 VanDerWaalsContact O-CD2 3.3Å; D79-L181 WeakPolarHBondContact O-CD2 3.28Å; F82-L181 HydrophobicContact CB-CD2 4.32Å; F82-L181 HydrophobicContact CD1-CD2 4.13Å; E83-L181 HydrophobicContact CB-CD1 3.95Å; E83-L181 HydrophobicContact CG-CD1 4.3Å; S178-L181 WeakPolarHBondContact O-CB 3.31Å; S178-L181 PolarHBondContact O-N 3.35Å; L181-R183 VanDerWaalsContact C-N 3.29Å; L181-R183 PolarHBondContact O-N 3.02Å; L181-K184 HydrophobicContact CD1-CD 4.46Å; L181-K184 WeakPolarHBondContact O-CB 3.5Å; L181-K184 PolarHBondContact O-N 2.96Å; L181-L185 HydrophobicContact CD1-CD1 3.7Å; L181-L185 HydrophobicContact CD1-CD2 4.34Å; L181-L185 HydrophobicContact CD1-CG 3.79Å; L181-L185 HydrophobicContact CD2-CD1 4.36Å; L181-L185 HydrophobicContact CG-CD1 3.8Å; L181-L185 HydrophobicContact CG-CG 4.23Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.49Å
182	C	91.6	Very high	89.9	Confident	49 Å²	49	75.6 Å²	75.6	33%	0.331	34%	0.342	S	S	.	.	H	α-helix	trans	-52.3	-49.4	174	-179.1	0	0	0	0	111.1	I177 S178 K184 Y186	I177-C182 HydrophobicContact CD1-CB 3.54Å; I177-C182 HydrophobicContact CG1-CB 4.03Å; S178-C182 PolarHBondContact O-N 3.32Å; C182-K184 VanDerWaalsContact C-N 3.35Å; C182-K184 PolarHBondContact O-N 3.16Å; C182-Y186 WeakPolarHBondContact O-CD2 3.32Å; C182-Y186 PolarHBondContact O-N 3.15Å; C182-Y186 VanDerWaalsContact O-N 3.11Å
183	R	90.8	Very high	88.9	Confident	166 Å²	166	76.8 Å²	76.8	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-62.9	-39.6	177.7	-171.5	179.4	64.8	158.5	-3.2	112.1	R179 E180 L181 N187	R179-R183 WeakPolarHBondContact O-CB 3.42Å; R179-R183 PolarHBondContact O-N 3Å; E180-R183 PolarHBondContact O-N 3.41Å; L181-R183 VanDerWaalsContact C-N 3.29Å; L181-R183 PolarHBondContact O-N 3.02Å; R183-N187 WeakPolarHBondContact CG-ND2 3.44Å; R183-N187 WeakPolarHBondContact O-CB 3.47Å; R183-N187 VanDerWaalsContact O-CG 3.24Å; R183-N187 PolarHBondContact O-N 3.37Å; R183-N187 PolarHBondContact O-ND2 3.4Å
184	K	92.1	Very high	87.5	Confident	112 Å²	112	77.4 Å²	77.4	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-53.4	-179.8	-177.4	-172.6	178.5	-166.8	0	110.7	E83 E180 L181 C182 R188	E83-K184 VanDerWaalsContact CD-NZ 3.25Å; E83-K184 WeakPolarHBondContact OE1-CE 3.27Å; E83-K184 IonicContact OE1-NZ 2.68Å; E83-K184 PolarHBondContact OE1-NZ 3.08Å; E83-K184 IonicContact OE2-NZ 2.97Å; E83-K184 PolarHBondContact OE2-NZ 3.39Å; E180-K184 WeakPolarHBondContact O-CB 3.48Å; E180-K184 PolarHBondContact O-N 3.43Å; L181-K184 HydrophobicContact CD1-CD 4.46Å; L181-K184 WeakPolarHBondContact O-CB 3.5Å; L181-K184 PolarHBondContact O-N 2.96Å; C182-K184 VanDerWaalsContact C-N 3.35Å; C182-K184 PolarHBondContact O-N 3.16Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 PolarHBondContact O-N 3.42Å; K184-R188 VanDerWaalsContact O-N 3.09Å
185	L	90.9	Very high	85.7	Confident	0 Å²	0	85.4 Å²	85.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-70.7	-55.3	-173.1	-63.8	178.5	0	0	0	112.3	F82 E83 F86 V87 L181 N187 R188 S189	F82-L185 HydrophobicContact CD1-CD1 3.81Å; F82-L185 HydrophobicContact CE1-CD1 3.88Å; E83-L185 HydrophobicContact CG-CD2 4.12Å; F86-L185 HydrophobicContact CB-CD1 3.98Å; F86-L185 HydrophobicContact CD1-CB 3.98Å; F86-L185 HydrophobicContact CD1-CD1 4.06Å; F86-L185 HydrophobicContact CD1-CD2 4.04Å; F86-L185 HydrophobicContact CD1-CG 4.25Å; F86-L185 HydrophobicContact CD2-CD1 4.41Å; F86-L185 HydrophobicContact CE1-CB 3.87Å; F86-L185 HydrophobicContact CG-CB 4.47Å; F86-L185 HydrophobicContact CG-CD1 3.89Å; F86-L185 HydrophobicContact CZ-CB 4.27Å; V87-L185 HydrophobicContact CG2-CD2 4.2Å; L181-L185 HydrophobicContact CD1-CD1 3.7Å; L181-L185 HydrophobicContact CD1-CD2 4.34Å; L181-L185 HydrophobicContact CD1-CG 3.79Å; L181-L185 HydrophobicContact CD2-CD1 4.36Å; L181-L185 HydrophobicContact CG-CD1 3.8Å; L181-L185 HydrophobicContact CG-CG 4.23Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.49Å; L185-N187 PolarHBondContact O-N 2.76Å; L185-R188 WeakPolarHBondContact O-CB 3.34Å; L185-R188 PolarHBondContact O-N 3.45Å; L185-S189 PolarHBondContact O-N 3.47Å
186	Y	87.9	Confident	83.7	Confident	59 Å²	59	92.7 Å²	92.7	23%	0.231	41%	0.41	C	S	.	.	H	α-helix	trans	-70.3	-29.4	-175.4	-72.1	-79.5	0	0	0	113.1	F86 E97 M99 I177 C182 S189 K190	F86-Y186 HydrophobicContact CE2-CD1 4.47Å; F86-Y186 AromaticContact CE2-CE1 3.89Å; F86-Y186 HydrophobicContact CE2-CE1 3.89Å; F86-Y186 HydrophobicContact CE2-CE2 4.31Å; F86-Y186 AromaticContact CE2-CZ 3.8Å; F86-Y186 HydrophobicContact CZ-CD1 4.27Å; F86-Y186 HydrophobicContact CZ-CE1 4.11Å; E97-Y186 WeakPolarHBondContact O-CE1 3.24Å; M99-Y186 PolarHBondContact N-OH 2.96Å; I177-Y186 HydrophobicContact CD1-CE2 4.44Å; C182-Y186 WeakPolarHBondContact O-CD2 3.32Å; C182-Y186 PolarHBondContact O-N 3.15Å; C182-Y186 VanDerWaalsContact O-N 3.11Å; Y186-S189 WeakPolarHBondContact O-CB 3.4Å; Y186-K190 WeakPolarHBondContact O-CB 3.41Å; Y186-K190 PolarHBondContact O-N 2.73Å
187	N	87.8	Confident	81.9	Confident	75 Å²	75	94.5 Å²	94.5	40%	0.401	41%	0.405	S	S	.	.	H	α-helix	trans	-74.8	-35	171.6	-70.2	-41.6	0	0	0	112.8	R183 L185 S189 K190 K191	R183-N187 WeakPolarHBondContact CG-ND2 3.44Å; R183-N187 WeakPolarHBondContact O-CB 3.47Å; R183-N187 VanDerWaalsContact O-CG 3.24Å; R183-N187 PolarHBondContact O-N 3.37Å; R183-N187 PolarHBondContact O-ND2 3.4Å; L185-N187 PolarHBondContact O-N 2.76Å; N187-S189 VanDerWaalsContact C-N 3.32Å; N187-K190 PolarHBondContact O-N 3.28Å; N187-K191 WeakPolarHBondContact O-CG 3.42Å; N187-K191 PolarHBondContact O-N 2.87Å
188	R	83.8	Confident	79.8	Confident	77 Å²	77	103 Å²	103	29%	0.291	43%	0.434	S	S	.	.	H	α-helix	trans	-60.2	-47.6	172	-177.2	-171	73.4	-173.8	2.6	109.7	V87 E90 K184 L185 K190 K191 R192	V87-R188 VanDerWaalsContact CG2-NH1 3.26Å; V87-R188 VanDerWaalsContact CG2-NH2 3.34Å; E90-R188 IonicContact OE2-CZ 3.55Å; E90-R188 IonicContact OE2-NE 3.4Å; E90-R188 PolarHBondContact OE2-NE 2.95Å; E90-R188 IonicContact OE2-NH2 2.82Å; E90-R188 PolarHBondContact OE2-NH2 2.88Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 PolarHBondContact O-N 3.42Å; K184-R188 VanDerWaalsContact O-N 3.09Å; L185-R188 WeakPolarHBondContact O-CB 3.34Å; L185-R188 PolarHBondContact O-N 3.45Å; R188-K190 PolarHBondContact O-N 2.78Å; R188-K191 PolarHBondContact O-N 3.46Å; R188-K191 VanDerWaalsContact O-N 3.16Å; R188-R192 PolarHBondContact O-N 3.22Å
189	S	80.2	Confident	77.8	Confident	5 Å²	5	104.9 Å²	104.9	4%	0.035	45%	0.447	C	S	.	.	H	α-helix	trans	-53.4	-53.5	174.2	-168.8	0	0	0	0	111.7	E90 L185 Y186 N187 K191 R192 Y193	E90-S189 WeakPolarHBondContact OE1-CA 3.35Å; E90-S189 WeakPolarHBondContact OE1-CB 3.35Å; E90-S189 PolarHBondContact OE1-OG 3.4Å; L185-S189 PolarHBondContact O-N 3.47Å; Y186-S189 WeakPolarHBondContact O-CB 3.4Å; N187-S189 VanDerWaalsContact C-N 3.32Å; S189-K191 VanDerWaalsContact C-N 3.27Å; S189-K191 PolarHBondContact O-N 3.42Å; S189-R192 PolarHBondContact O-N 3.21Å; S189-R192 VanDerWaalsContact O-N 3.1Å; S189-Y193 WeakPolarHBondContact O-CD2 3.41Å; S189-Y193 PolarHBondContact O-N 3.4Å
190	K	81.7	Confident	75.8	Confident	150 Å²	150	103.1 Å²	103.1	65%	0.652	44%	0.441	S	S	*	.	H	α-helix	trans	-58.1	-35.8	178.5	-171.3	175.8	-176.6	174.8	0	113	Y186 N187 R188 G194	Y186-K190 WeakPolarHBondContact O-CB 3.41Å; Y186-K190 PolarHBondContact O-N 2.73Å; N187-K190 PolarHBondContact O-N 3.28Å; R188-K190 PolarHBondContact O-N 2.78Å; K190-G194 WeakPolarHBondContact O-CA 3.27Å; K190-G194 PolarHBondContact O-N 3.42Å
191	K	81	Confident	73.6	Confident	156 Å²	156	100.9 Å²	100.9	68%	0.678	44%	0.441	S	S	*	.	H	α-helix	trans	-71.1	-44.7	175.8	-73.9	175.4	-177.4	177.5	0	111.8	N187 R188 S189 R195	N187-K191 WeakPolarHBondContact O-CG 3.42Å; N187-K191 PolarHBondContact O-N 2.87Å; R188-K191 PolarHBondContact O-N 3.46Å; R188-K191 VanDerWaalsContact O-N 3.16Å; S189-K191 VanDerWaalsContact C-N 3.27Å; S189-K191 PolarHBondContact O-N 3.42Å; K191-R195 PolarHBondContact O-N 3.41Å
192	R	80.6	Confident	71.2	Confident	110 Å²	110	107.7 Å²	107.7	42%	0.415	47%	0.473	S	S	.	.	H	α-helix	trans	-62	-51.4	180	-174.4	176.6	-177.3	143.3	-2.2	111.1	E91 R188 S189	E91-R192 IonicContact OE1-CZ 3.94Å; E91-R192 IonicContact OE1-NH1 2.84Å; E91-R192 PolarHBondContact OE1-NH1 3.49Å; R188-R192 PolarHBondContact O-N 3.22Å; S189-R192 PolarHBondContact O-N 3.21Å; S189-R192 VanDerWaalsContact O-N 3.1Å
193	Y	75.8	Confident	68.8	Low	25 Å²	25	109.9 Å²	109.9	10%	0.098	49%	0.488	C	S	.	.	H	α-helix	trans	-89.8	-25.2	-175.4	-64.3	-76.7	0	0	0	113.5	E90 E95 S189 R195 R196 R197	E90-Y193 HydrophobicContact CG-CE2 3.87Å; E90-Y193 PolarHBondContact O-OH 3.27Å; E95-Y193 HydrophobicContact CB-CD1 3.81Å; E95-Y193 HydrophobicContact CB-CD2 3.66Å; E95-Y193 HydrophobicContact CB-CE1 3.86Å; E95-Y193 HydrophobicContact CB-CE2 3.71Å; E95-Y193 HydrophobicContact CB-CG 3.72Å; E95-Y193 HydrophobicContact CG-CD1 4.29Å; E95-Y193 HydrophobicContact CG-CD2 3.54Å; E95-Y193 HydrophobicContact CG-CE2 4.03Å; E95-Y193 HydrophobicContact CG-CG 3.69Å; E95-Y193 PolarHBondContact N-OH 2.93Å; E95-Y193 WeakPolarHBondContact OE2-CB 3.48Å; S189-Y193 WeakPolarHBondContact O-CD2 3.41Å; S189-Y193 PolarHBondContact O-N 3.4Å; Y193-R195 PolarHBondContact O-N 3.4Å; Y193-R196 WeakPolarHBondContact O-CB 3.31Å; Y193-R196 PolarHBondContact O-N 2.95Å; Y193-R197 PolarHBondContact O-N 3.16Å
194	G	67.8	Low	66.5	Low	23 Å²	23	106.9 Å²	106.9	24%	0.237	49%	0.49	C	S	.	.	H	α-helix	trans	-67.3	-33.4	176.1	0	0	0	0	0	114.2	K190 R196 R197 R198	K190-G194 WeakPolarHBondContact O-CA 3.27Å; K190-G194 PolarHBondContact O-N 3.42Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.42Å; G194-R197 WeakPolarHBondContact O-CB 3.45Å; G194-R197 PolarHBondContact O-N 3.21Å; G194-R197 VanDerWaalsContact O-N 3.13Å; G194-R198 PolarHBondContact O-N 2.89Å
195	R	57.4	Low	63.9	Low	208 Å²	208	107.3 Å²	107.3	79%	0.785	51%	0.508	S	S	*	.	H	α-helix	trans	-65	-35.7	173.2	-76.7	-174.6	178.5	-156.2	1.1	112.2	K191 Y193 R197 R198 S199	K191-R195 PolarHBondContact O-N 3.41Å; Y193-R195 PolarHBondContact O-N 3.4Å; R195-R197 VanDerWaalsContact C-N 3.25Å; R195-R197 PolarHBondContact O-N 2.68Å; R195-R198 PolarHBondContact O-N 3.21Å; R195-S199 PolarHBondContact O-N 3.34Å; R195-S199 PolarHBondContact O-OG 3.47Å
196	R	53.6	Low	61.2	Low	178 Å²	178	116.1 Å²	116.1	67%	0.672	55%	0.546	S	S	*	.	H	α-helix	trans	-62.7	-30.4	172.1	-104.4	177.9	176	177.2	-0.8	112.3	Y193 G194 S199 R200	Y193-R196 WeakPolarHBondContact O-CB 3.31Å; Y193-R196 PolarHBondContact O-N 2.95Å; G194-R196 VanDerWaalsContact C-N 3.32Å; G194-R196 PolarHBondContact O-N 3.42Å; R196-S199 WeakPolarHBondContact CA-OG 3.39Å; R196-S199 PolarHBondContact O-OG 3.05Å; R196-R200 PolarHBondContact O-N 3.06Å
197	R	54.5	Low	58.4	Low	127 Å²	127	118.5 Å²	118.5	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-47.6	176	-60.2	-176.7	-169.1	-178.2	7.7	111.8	E95 Y193 G194 R195 S199 R200 S201	E95-R197 IonicContact OE1-NH2 2.66Å; E95-R197 PolarHBondContact OE1-NH2 3.43Å; Y193-R197 PolarHBondContact O-N 3.16Å; G194-R197 WeakPolarHBondContact O-CB 3.45Å; G194-R197 PolarHBondContact O-N 3.21Å; G194-R197 VanDerWaalsContact O-N 3.13Å; R195-R197 VanDerWaalsContact C-N 3.25Å; R195-R197 PolarHBondContact O-N 2.68Å; R197-S199 PolarHBondContact O-N 3.14Å; R197-R200 PolarHBondContact O-N 2.65Å; R197-S201 PolarHBondContact O-OG 3.27Å
198	R	50.7	Low	55.6	Low	217 Å²	217	126.9 Å²	126.9	82%	0.819	60%	0.597	S	S	*	*	H	α-helix	trans	-63	-30	179.8	-77.4	-175.5	177.6	178.1	-1.2	113.2	G194 R195	G194-R198 PolarHBondContact O-N 2.89Å; R195-R198 PolarHBondContact O-N 3.21Å
199	S	51.5	Low	52.6	Low	80 Å²	80	129.1 Å²	129.1	56%	0.559	62%	0.623	S	S	*	*	H	α-helix	trans	-80.4	-24.8	-179.2	28.7	0	0	0	0	113.5	R195 R196 R197	R195-S199 PolarHBondContact O-N 3.34Å; R195-S199 PolarHBondContact O-OG 3.47Å; R196-S199 WeakPolarHBondContact CA-OG 3.39Å; R196-S199 PolarHBondContact O-OG 3.05Å; R197-S199 PolarHBondContact O-N 3.14Å
200	R	48.1	Very low	50.2	Low	192 Å²	192	140.3 Å²	140.3	73%	0.725	67%	0.665	S	S	*	*	H	α-helix	trans	-78.3	-16.5	174.3	-80.9	-176.8	172.2	-171.3	-5.7	114	R196 R197	R196-R200 PolarHBondContact O-N 3.06Å; R197-R200 PolarHBondContact O-N 2.65Å
201	S	46.5	Very low	47.5	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-10.9	179.5	-36.2	0	0	0	0	114.3	R197 S203	R197-S201 PolarHBondContact O-OG 3.27Å; S201-S203 PolarHBondContact O-N 3.17Å
202	H	40.9	Very low	44.9	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.718	67%	0.674	S	S	*	*			trans	-94.6	70.9	180	-154.5	69	0	0	0	110.1	P204	H202-P204 VanDerWaalsContact O-CD 3.27Å; H202-P204 WeakPolarHBondContact O-CD 3.5Å
203	S	42.2	Very low	42.4	Very low	94 Å²	94	147.6 Å²	147.6	66%	0.657	70%	0.698	S	S	*	*			trans	-66.8	117.8	159.3	-66.2	0	0	0	0	107.3	S201 S205	S201-S203 PolarHBondContact O-N 3.17Å; S203-S205 PolarHBondContact O-N 3.09Å
204	P	40.8	Very low	40.5	Very low	103 Å²	103	152.4 Å²	152.4	67%	0.669	74%	0.735	S	S	*	*			trans	-67.7	106	171.5	-9.3	25.7	0	0	0	105.9	H202 K206	H202-P204 VanDerWaalsContact O-CD 3.27Å; H202-P204 WeakPolarHBondContact O-CD 3.5Å; P204-K206 PolarHBondContact O-N 3.22Å
205	S	38.8	Very low	38.9	Very low	122 Å²	122	156.6 Å²	156.6	85%	0.853	77%	0.767	S	S	*	*			trans	-62.3	92.9	169.3	1.7	0	0	0	0	107.1	S203 S207	S203-S205 PolarHBondContact O-N 3.09Å; S205-S207 PolarHBondContact O-N 2.94Å
206	K	33	Very low	37.8	Very low	185 Å²	185	150.3 Å²	150.3	80%	0.804	77%	0.767	S	S	*	*			trans	-44.8	108	168.3	-75.9	178.3	172.3	-180	0	109.1	P204 R208	P204-K206 PolarHBondContact O-N 3.22Å; K206-R208 PolarHBondContact O-N 2.85Å
207	S	29.1	Very low	37	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	78%	0.778	S	S	*	*				24.6	70.8	128.7	44	0	0	0	0	115	S205 C209	S205-S207 PolarHBondContact O-N 2.94Å; S207-C209 PolarHBondContact O-N 2.85Å
208	R	28.8	Very low	36.2	Very low	250 Å²	250	153.8 Å²	153.8	94%	0.943	80%	0.796	S	S	*	*			trans	-78.8	78.5	160.7	-101.6	-175.3	174.1	-173.6	-0.3	108.5	K206 R210	K206-R208 PolarHBondContact O-N 2.85Å; R208-R210 PolarHBondContact O-N 3.38Å
209	C	21.2	Very low	35.8	Very low	124 Å²	124	148.5 Å²	148.5	84%	0.838	79%	0.792	S	S	*	*			trans	-81.8	99.6	162.8	-139	0	0	0	0	107.9	S207	S207-C209 PolarHBondContact O-N 2.85Å
210	R	29.9	Very low	35	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.909	81%	0.806	S	S	*	*			trans	-144.9	93.3	161.4	-76.4	-166.5	177.4	-177	-1.7	108.5	R208	R208-R210 PolarHBondContact O-N 3.38Å
211	R	25.4	Very low	34.7	Very low	237 Å²	237	161.7 Å²	161.7	89%	0.894	83%	0.829	S	S	*	*				58	95.2	105.5	-104	-173.3	171.5	164.4	-2.2	114.8
212	S	27.3	Very low	34.1	Very low	90 Å²	90	164.9 Å²	164.9	63%	0.629	84%	0.836	S	S	*	*				55.8	120.4	119.9	52.8	0	0	0	0	121.2
213	R	28.1	Very low	33.7	Very low	242 Å²	242	165.4 Å²	165.4	91%	0.913	84%	0.843	S	S	*	*			trans	66	111.5	135.1	-65.9	180	176.2	-178.6	-1.6	117.5
214	S	35.6	Very low	33.3	Very low	126 Å²	126	169.3 Å²	169.3	88%	0.881	85%	0.853	S	S	*	*			trans	-153.7	103.9	135.4	-70.4	0	0	0	0	108.3
215	A	32.7	Very low	32.8	Very low	111 Å²	111	173.2 Å²	173.2	92%	0.917	86%	0.864	S	S	*	*			trans	-75.8	143.7	164	0	0	0	0	0	108.7
216	G	35	Very low	32.5	Very low	76 Å²	76	176.4 Å²	176.4	78%	0.784	86%	0.864	S	S	*	*			trans	134.8	113.7	179.5	0	0	0	0	0	107.8
217	R	38	Very low	32.4	Very low	238 Å²	238	175.9 Å²	175.9	90%	0.898	87%	0.869	S	S	*	*				-166.4	118.9	53.4	-166.2	174.5	-173.2	-178	1.4	107.4
218	V	37.2	Very low	32.7	Very low	140 Å²	140	180.6 Å²	180.6	85%	0.848	88%	0.876	S	S	*	*			trans	-71.6	122.5	159	174.8	0	0	0	0	106.2
219	S	41.1	Very low	33	Very low	106 Å²	106	175.3 Å²	175.3	74%	0.741	87%	0.871	S	S	*	*			trans	-139.7	114.1	159.6	-168.3	0	0	0	0	109.4
220	R	36.2	Very low	33.9	Very low	228 Å²	228	179.6 Å²	179.6	86%	0.86	87%	0.874	S	S	*	*			trans	-54	136.8	169.4	-64.5	165.8	170.9	-172.8	-4.9	110.8
221	R	41	Very low	34.3	Very low	320 Å²	320	174 Å²	174	100%	1.208	87%	0.87	S	S	*	*				-161.9	0	123.3	-105.9	-179.3	-176.3	-160.9	0.4	108.9

Retrieved 221 of 221 residues in 382.2 ms (Link to these results)

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