A0A6D2VSF2_PANTR Loading...

Nuclear factor 1

Recognizes and binds the palindromic sequence 5'-TTGGCNNNNNGCCAA-3' present in viral and cellular promoters and in the origin of replication of adenovirus type 2. These proteins are individually capable of activating transcription and replication.

AlphaFold DB , UniProt , Accession A0A6D2VSF2, Species PANTR (Pan troglodytes, Chimpanzee), Gene NFIA, Length 501 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	80.7	Confident	242 Å²	242	96.2 Å²	96.2	100%	1.192	49%	0.487	S	S	*	.				0	136.1	0	-76.8	159.5	154.5	0	0	107.6	E3	M1-E3 PolarHBondContact O-N 3.32Å
2	D	48.2	Very low	82	Confident	160 Å²	160	90.1 Å²	90.1	86%	0.856	46%	0.457	S	S	*	.			trans	-79.5	100.4	159.6	-99.2	-35.1	0	0	0	106.3	F4	D2-F4 PolarHBondContact O-N 3.17Å
3	E	54	Low	83.1	Confident	184 Å²	184	88 Å²	88	86%	0.86	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-69.9	119.7	174.8	-169.6	173.8	-167.5	0	0	108.7	M1 H5	M1-E3 PolarHBondContact O-N 3.32Å; E3-H5 PolarHBondContact O-N 3.13Å; E3-H5 VanDerWaalsContact O-N 3.14Å
4	F	75.6	Confident	84.1	Confident	127 Å²	127	86.6 Å²	86.6	56%	0.557	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-67.9	116.7	-175.1	-83.6	-89.8	0	0	0	109.9	D2	D2-F4 PolarHBondContact O-N 3.17Å
5	H	91.6	Very high	85	Confident	75 Å²	75	80.9 Å²	80.9	35%	0.347	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-55.1	126.4	179.6	178.4	-61.3	0	0	0	110.4	E3 F7 I8 E9 R72	E3-H5 PolarHBondContact O-N 3.13Å; E3-H5 VanDerWaalsContact O-N 3.14Å; H5-F7 VanDerWaalsContact C-N 3.32Å; H5-F7 WeakPolarHBondContact ND1-CB 3.4Å; H5-F7 PolarHBondContact ND1-N 3.06Å; H5-F7 VanDerWaalsContact ND1-N 3.19Å; H5-F7 PolarHBondContact O-N 2.72Å; H5-I8 HydrophobicContact CB-CD1 4.22Å; H5-I8 HydrophobicContact CB-CG1 4.49Å; H5-I8 WeakPolarHBondContact O-CB 3.31Å; H5-I8 PolarHBondContact O-N 3.4Å; H5-E9 PolarHBondContact O-N 2.69Å; H5-R72 PolarHBondContact CE1-NE 3.39Å; H5-R72 PolarHBondContact NE2-NE 3.34Å; H5-R72 VanDerWaalsContact NE2-NE 3.15Å; H5-R72 PolarHBondContact NE2-NH2 2.91Å
6	P	94.8	Very high	85.8	Confident	84 Å²	84	80.8 Å²	80.8	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-51	-38.7	-168.7	-33.4	35.8	0	0	0	116.4	I8 E9 A10	P6-I8 PolarHBondContact O-N 3.04Å; P6-E9 PolarHBondContact O-N 2.81Å; P6-A10 WeakPolarHBondContact O-CB 3.13Å; P6-A10 PolarHBondContact O-N 2.89Å
7	F	97.2	Very high	86.4	Confident	10 Å²	10	77.2 Å²	77.2	4%	0.044	39%	0.393	C	S	.	.	H	α-helix	trans	-52	-37.9	171.4	177.9	-84.3	0	0	0	114.2	H5 L11 R72 I75 R80 F83 V84	H5-F7 VanDerWaalsContact C-N 3.32Å; H5-F7 WeakPolarHBondContact ND1-CB 3.4Å; H5-F7 PolarHBondContact ND1-N 3.06Å; H5-F7 VanDerWaalsContact ND1-N 3.19Å; H5-F7 PolarHBondContact O-N 2.72Å; F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD2-CD1 4.2Å; F7-L11 HydrophobicContact CE1-CD1 3.51Å; F7-L11 HydrophobicContact CE2-CD1 3.85Å; F7-L11 HydrophobicContact CG-CD1 4.22Å; F7-L11 HydrophobicContact CZ-CD1 3.48Å; F7-L11 VanDerWaalsContact CZ-CD1 3.48Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 VanDerWaalsContact O-CD1 3.26Å; F7-L11 WeakPolarHBondContact O-CD1 3.44Å; F7-L11 VanDerWaalsContact O-CG 3.24Å; F7-L11 WeakPolarHBondContact O-CG 3.43Å; F7-R72 HydrophobicContact CD1-CB 3.69Å; F7-R72 HydrophobicContact CD1-CG 3.82Å; F7-R72 HydrophobicContact CD2-CG 4.34Å; F7-R72 HydrophobicContact CE1-CB 3.54Å; F7-R72 HydrophobicContact CE1-CG 4.03Å; F7-R72 HydrophobicContact CG-CB 4.38Å; F7-R72 HydrophobicContact CG-CG 4Å; F7-R72 HydrophobicContact CZ-CB 4.1Å; F7-R72 HydrophobicContact CZ-CG 4.37Å; F7-I75 HydrophobicContact CE2-CD1 4.46Å; F7-I75 HydrophobicContact CZ-CD1 3.99Å; F7-R80 HydrophobicContact CD2-CB 4.02Å; F7-R80 HydrophobicContact CE2-CB 4.03Å; F7-R80 HydrophobicContact CE2-CG 4.29Å; F7-F83 AromaticContact CE2-CD1 3.75Å; F7-F83 HydrophobicContact CE2-CD1 3.75Å; F7-F83 AromaticContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CE1 4.02Å; F7-V84 HydrophobicContact CB-CG2 4.47Å; F7-V84 HydrophobicContact CD2-CG2 3.55Å; F7-V84 HydrophobicContact CE2-CG2 4.06Å; F7-V84 HydrophobicContact CG-CG2 4.19Å
8	I	97.1	Very high	86.8	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.087	37%	0.371	C	S	.	.	H	α-helix	trans	-76.1	-49.1	180	-59.8	174.2	0	0	0	109.4	H5 P6 A10 L11 L12 L68 A69	H5-I8 HydrophobicContact CB-CD1 4.22Å; H5-I8 HydrophobicContact CB-CG1 4.49Å; H5-I8 WeakPolarHBondContact O-CB 3.31Å; H5-I8 PolarHBondContact O-N 3.4Å; P6-I8 PolarHBondContact O-N 3.04Å; I8-A10 PolarHBondContact O-N 3.09Å; I8-L11 PolarHBondContact O-N 3.17Å; I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 3.13Å; I8-L68 HydrophobicContact CG1-CB 4.21Å; I8-L68 HydrophobicContact CG2-CB 4.15Å; I8-L68 HydrophobicContact CG2-CD1 4.09Å; I8-A69 HydrophobicContact CD1-CB 3.76Å
9	E	95.7	Very high	87.4	Confident	123 Å²	123	69.1 Å²	69.1	58%	0.575	35%	0.352	S	S	*	.	H	α-helix	trans	-54.6	-52.1	178.2	-178.4	-175.8	-161.4	0	0	111.6	H5 P6 L11 L12 P13	H5-E9 PolarHBondContact O-N 2.69Å; P6-E9 PolarHBondContact O-N 2.81Å; E9-L11 PolarHBondContact O-N 3.18Å; E9-L12 PolarHBondContact O-N 3.44Å; E9-P13 WeakPolarHBondContact O-CD 3.34Å
10	A	96.7	Very high	87.9	Confident	36 Å²	36	66.6 Å²	66.6	30%	0.298	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.8	-179.1	0	0	0	0	0	114.5	P6 I8 H14 V84 T88	P6-A10 WeakPolarHBondContact O-CB 3.13Å; P6-A10 PolarHBondContact O-N 2.89Å; I8-A10 PolarHBondContact O-N 3.09Å; A10-H14 PolarHBondContact O-CD2 3.44Å; A10-V84 HydrophobicContact CB-CG1 3.57Å; A10-T88 WeakPolarHBondContact O-CG2 3.23Å
11	L	97.9	Very high	88.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-21.2	179.5	-71.1	174.4	0	0	0	113.9	F7 I8 E9 H14 V15 L68 F83 V84 V87 F129	F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD2-CD1 4.2Å; F7-L11 HydrophobicContact CE1-CD1 3.51Å; F7-L11 HydrophobicContact CE2-CD1 3.85Å; F7-L11 HydrophobicContact CG-CD1 4.22Å; F7-L11 HydrophobicContact CZ-CD1 3.48Å; F7-L11 VanDerWaalsContact CZ-CD1 3.48Å; F7-L11 WeakPolarHBondContact O-CB 3.31Å; F7-L11 VanDerWaalsContact O-CD1 3.26Å; F7-L11 WeakPolarHBondContact O-CD1 3.44Å; F7-L11 VanDerWaalsContact O-CG 3.24Å; F7-L11 WeakPolarHBondContact O-CG 3.43Å; I8-L11 PolarHBondContact O-N 3.17Å; E9-L11 PolarHBondContact O-N 3.18Å; L11-H14 PolarHBondContact O-N 2.95Å; L11-V15 PolarHBondContact O-N 2.86Å; L11-L68 HydrophobicContact CB-CD1 4.03Å; L11-L68 HydrophobicContact CB-CD2 3.99Å; L11-L68 HydrophobicContact CD1-CD2 4.19Å; L11-F83 HydrophobicContact CD1-CD1 3.7Å; L11-F83 HydrophobicContact CD1-CE1 3.59Å; L11-F83 HydrophobicContact CD2-CD1 4.4Å; L11-F83 HydrophobicContact CD2-CE1 4.27Å; L11-V84 HydrophobicContact CD1-CG2 4.14Å; L11-V84 HydrophobicContact CD2-CG2 4.48Å; L11-V84 HydrophobicContact CG-CG2 4.11Å; L11-V87 HydrophobicContact CD2-CB 3.75Å; L11-V87 HydrophobicContact CD2-CG1 3.62Å; L11-V87 HydrophobicContact CD2-CG2 4.34Å; L11-F129 HydrophobicContact CD2-CE1 4.33Å
12	L	97.3	Very high	91.2	Very high	23 Å²	23	53 Å²	53	12%	0.12	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.5	-41.1	-178.6	-174.2	67.3	0	0	0	112.2	I8 E9 H14 V15 Q61 A64 L68 I228	I8-L12 WeakPolarHBondContact O-CB 3.29Å; I8-L12 PolarHBondContact O-N 3.13Å; E9-L12 PolarHBondContact O-N 3.44Å; L12-H14 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3.22Å; L12-Q61 HydrophobicContact CD2-CB 4.44Å; L12-A64 HydrophobicContact CD1-CB 3.67Å; L12-L68 HydrophobicContact CB-CD1 4.3Å; L12-L68 HydrophobicContact CD1-CD1 4.38Å; L12-I228 HydrophobicContact CD1-CG2 3.75Å; L12-I228 HydrophobicContact CG-CG2 4.28Å; L12-I228 WeakPolarHBondContact O-CG2 3.31Å
13	P	96.3	Very high	93.5	Very high	63 Å²	63	45.5 Å²	45.5	41%	0.409	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-65.9	-10.7	172.7	-22.4	34.8	0	0	0	115.7	E9 P227 A229	E9-P13 WeakPolarHBondContact O-CD 3.34Å; P13-P227 WeakPolarHBondContact O-CB 3.2Å; P13-A229 HydrophobicContact CB-CB 4.26Å; P13-A229 HydrophobicContact CG-CB 4.3Å
14	H	96.9	Very high	95.6	Very high	68 Å²	68	38 Å²	38	32%	0.315	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-103.3	-9.6	-179.5	-64.2	-91.6	0	0	0	113.2	A10 L11 L12 V87 F129	A10-H14 PolarHBondContact O-CD2 3.44Å; L11-H14 PolarHBondContact O-N 2.95Å; L12-H14 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact O-N 3.16Å; H14-V87 HydrophobicContact CB-CG1 3.68Å; H14-V87 PolarHBondContact ND1-O 2.85Å; H14-F129 HydrophobicContact CB-CD1 4.09Å; H14-F129 HydrophobicContact CB-CE1 4.15Å; H14-F129 WeakPolarHBondContact O-CD1 3.35Å
15	V	98.1	Very high	96.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.169	C	C	.	.	S	Bend	trans	-77.1	130.2	172.1	173	0	0	0	0	109.8	L11 L12 A64 L68 L128 F129 P227 I228	L11-V15 PolarHBondContact O-N 2.86Å; L12-V15 PolarHBondContact O-N 3.22Å; V15-A64 HydrophobicContact CG1-CB 4.1Å; V15-L68 HydrophobicContact CG2-CD1 4.1Å; V15-L68 HydrophobicContact CG2-CD2 4.1Å; V15-L68 HydrophobicContact CG2-CG 4.32Å; V15-L128 CarbonylContact C-O 3.54Å; V15-L128 WeakPolarHBondContact CA-O 3.31Å; V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD2 4.46Å; V15-F129 HydrophobicContact CG2-CE1 3.95Å; V15-F129 HydrophobicContact CG2-CZ 4.19Å; V15-P227 CarbonylContact O-C 3.59Å; V15-P227 WeakPolarHBondContact O-CA 3.49Å; V15-I228 HydrophobicContact CB-CG2 3.93Å; V15-I228 HydrophobicContact CG1-CB 4.47Å; V15-I228 HydrophobicContact CG1-CD1 4.4Å; V15-I228 HydrophobicContact CG1-CG2 4.1Å; V15-I228 WeakPolarHBondContact O-CB 3.34Å; V15-I228 PolarHBondContact O-N 3.34Å
16	R	97.1	Very high	96.8	Very high	79 Å²	79	29.1 Å²	29.1	30%	0.298	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-75.1	134.9	176	-52.6	-55	175.9	160.1	-2.4	111.2	F18 A19 L128 F129 S224 Q225 T226	R16-F18 VanDerWaalsContact C-N 3.26Å; R16-F18 PolarHBondContact O-N 2.99Å; R16-A19 WeakPolarHBondContact O-CB 3.39Å; R16-A19 PolarHBondContact O-N 3.4Å; R16-A19 VanDerWaalsContact O-N 3.12Å; R16-L128 WeakPolarHBondContact CG-O 3.46Å; R16-L128 PolarHBondContact N-O 2.98Å; R16-F129 PolarHBondContact NE-O 2.86Å; R16-F129 PolarHBondContact NH2-O 2.92Å; R16-S224 WeakPolarHBondContact CB-O 3.39Å; R16-S224 VanDerWaalsContact CD-O 3.23Å; R16-S224 WeakPolarHBondContact CD-O 3.46Å; R16-S224 WeakPolarHBondContact CG-O 3.48Å; R16-Q225 PolarHBondContact NH1-O 3.31Å; R16-T226 WeakPolarHBondContact CA-O 3.35Å
17	A	95.3	Very high	96.9	Very high	20 Å²	20	26.1 Å²	26.1	17%	0.165	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.5	179.7	0	0	0	0	0	112.2	A19 Y20 T226 I228	A17-A19 PolarHBondContact O-N 3.47Å; A17-A19 VanDerWaalsContact O-N 3.11Å; A17-Y20 WeakPolarHBondContact O-CB 3.39Å; A17-Y20 PolarHBondContact O-N 3.45Å; A17-Y20 VanDerWaalsContact O-N 3.13Å; A17-T226 HydrophobicContact CB-CG2 4.48Å; A17-T226 WeakPolarHBondContact CB-O 3.26Å; A17-T226 PolarHBondContact N-O 3.47Å; A17-I228 HydrophobicContact CB-CB 4.34Å; A17-I228 HydrophobicContact CB-CG1 4.33Å
18	F	95.2	Very high	96.8	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-49.6	-34.2	174.7	169.2	-108	0	0	0	114.1	R16 Y20 T21 W22 G131 P133 F215 L220 V223	R16-F18 VanDerWaalsContact C-N 3.26Å; R16-F18 PolarHBondContact O-N 2.99Å; F18-Y20 PolarHBondContact O-N 3.31Å; F18-T21 PolarHBondContact O-N 2.77Å; F18-T21 VanDerWaalsContact O-N 3.08Å; F18-W22 HydrophobicContact CD1-CB 4.39Å; F18-W22 HydrophobicContact CE1-CB 3.84Å; F18-W22 HydrophobicContact CE1-CD2 4.28Å; F18-W22 AromaticContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE2-CB 4.04Å; F18-W22 HydrophobicContact CE2-CD2 4.42Å; F18-W22 AromaticContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CG 4.48Å; F18-W22 HydrophobicContact CZ-CB 3.64Å; F18-W22 AromaticContact CZ-CD2 3.65Å; F18-W22 HydrophobicContact CZ-CD2 3.65Å; F18-W22 AromaticContact CZ-CE3 3.54Å; F18-W22 HydrophobicContact CZ-CE3 3.54Å; F18-W22 AromaticContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CZ3 4.39Å; F18-W22 WeakPolarHBondContact O-CB 3.26Å; F18-W22 PolarHBondContact O-N 2.82Å; F18-G131 VanDerWaalsContact CD1-O 3.27Å; F18-G131 WeakPolarHBondContact CD1-O 3.29Å; F18-G131 VanDerWaalsContact CE1-O 3.31Å; F18-G131 WeakPolarHBondContact CE1-O 3.46Å; F18-P133 HydrophobicContact CE1-CB 4.07Å; F18-P133 HydrophobicContact CZ-CB 3.76Å; F18-F215 HydrophobicContact CD2-CE1 4.3Å; F18-F215 HydrophobicContact CD2-CZ 4.22Å; F18-F215 HydrophobicContact CE2-CE1 4.04Å; F18-F215 HydrophobicContact CE2-CE2 4.01Å; F18-F215 AromaticContact CE2-CZ 3.7Å; F18-F215 HydrophobicContact CE2-CZ 3.7Å; F18-L220 HydrophobicContact CE2-CD2 4.03Å; F18-L220 HydrophobicContact CZ-CD2 4.1Å; F18-V223 HydrophobicContact CB-CB 4.37Å; F18-V223 HydrophobicContact CB-CG2 4.12Å; F18-V223 WeakPolarHBondContact CB-O 3.34Å; F18-V223 HydrophobicContact CD2-CB 4.46Å; F18-V223 HydrophobicContact CD2-CG2 3.47Å; F18-V223 VanDerWaalsContact CD2-CG2 3.47Å; F18-V223 HydrophobicContact CE2-CG2 4.22Å; F18-V223 HydrophobicContact CG-CG2 4.05Å
19	A	97.8	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-36.1	-178.1	0	0	0	0	0	112.3	R16 A17 F23 W63 I127 L128	R16-A19 WeakPolarHBondContact O-CB 3.39Å; R16-A19 PolarHBondContact O-N 3.4Å; R16-A19 VanDerWaalsContact O-N 3.12Å; A17-A19 PolarHBondContact O-N 3.47Å; A17-A19 VanDerWaalsContact O-N 3.11Å; A19-F23 HydrophobicContact CB-CD2 4.47Å; A19-F23 HydrophobicContact CB-CE2 4.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.23Å; A19-F23 PolarHBondContact O-N 3.15Å; A19-W63 HydrophobicContact CB-CH2 3.92Å; A19-W63 HydrophobicContact CB-CZ3 4.27Å; A19-I127 HydrophobicContact CB-CG2 3.9Å; A19-L128 HydrophobicContact CB-CD2 3.89Å
20	Y	97.8	Very high	96.6	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.071	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-54.1	173.8	176.4	-90.7	0	0	0	110.9	A17 F18 W22 N24 L52 E55 V59 K60 W63	A17-Y20 WeakPolarHBondContact O-CB 3.39Å; A17-Y20 PolarHBondContact O-N 3.45Å; A17-Y20 VanDerWaalsContact O-N 3.13Å; F18-Y20 PolarHBondContact O-N 3.31Å; Y20-W22 VanDerWaalsContact C-N 3.34Å; Y20-W22 PolarHBondContact O-N 3.4Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.46Å; Y20-N24 VanDerWaalsContact CE2-ND2 3.31Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.46Å; Y20-N24 WeakPolarHBondContact O-CB 3.12Å; Y20-N24 PolarHBondContact O-N 3.47Å; Y20-N24 VanDerWaalsContact O-N 3.08Å; Y20-N24 PolarHBondContact O-ND2 3.46Å; Y20-L52 HydrophobicContact CE1-CD2 4.02Å; Y20-E55 HydrophobicContact CE1-CB 4.11Å; Y20-E55 HydrophobicContact CE1-CG 3.65Å; Y20-E55 PolarHBondContact OH-OE2 3.49Å; Y20-E55 VanDerWaalsContact OH-OE2 3.12Å; Y20-V59 HydrophobicContact CE2-CG1 4.48Å; Y20-K60 HydrophobicContact CD1-CD 4.45Å; Y20-K60 HydrophobicContact CD1-CG 3.72Å; Y20-K60 HydrophobicContact CD2-CB 4.45Å; Y20-K60 HydrophobicContact CD2-CG 4.15Å; Y20-K60 HydrophobicContact CE1-CG 4.15Å; Y20-K60 HydrophobicContact CG-CB 4.33Å; Y20-K60 HydrophobicContact CG-CG 3.74Å; Y20-W63 HydrophobicContact CD2-CB 3.77Å; Y20-W63 AromaticContact CD2-CD2 3.68Å; Y20-W63 HydrophobicContact CD2-CD2 3.68Å; Y20-W63 AromaticContact CD2-CE3 3.74Å; Y20-W63 HydrophobicContact CD2-CE3 3.74Å; Y20-W63 AromaticContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CE2-CB 3.89Å; Y20-W63 HydrophobicContact CE2-CG 4.07Å; Y20-W63 HydrophobicContact CG-CE3 4.27Å
21	T	97.2	Very high	96.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-44.1	-178	-53.3	0	0	0	0	110.5	F18 N24 L25 L52 L53 F215	F18-T21 PolarHBondContact O-N 2.77Å; F18-T21 VanDerWaalsContact O-N 3.08Å; T21-N24 PolarHBondContact O-N 3.02Å; T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 PolarHBondContact O-N 3.4Å; T21-L52 HydrophobicContact CG2-CB 3.79Å; T21-L52 PolarHBondContact OG1-O 3.24Å; T21-L53 HydrophobicContact CG2-CD2 3.9Å; T21-L53 HydrophobicContact CG2-CG 3.92Å; T21-F215 HydrophobicContact CG2-CZ 3.96Å
22	W	97.3	Very high	96.3	Very high	23 Å²	23	36.4 Å²	36.4	9%	0.087	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-52.7	179.8	-170.2	-116.5	0	0	0	113	F18 Y20 N24 L25 Q26 P133 L134 E135 F215	F18-W22 HydrophobicContact CD1-CB 4.39Å; F18-W22 HydrophobicContact CE1-CB 3.84Å; F18-W22 HydrophobicContact CE1-CD2 4.28Å; F18-W22 AromaticContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE1-CG 3.97Å; F18-W22 HydrophobicContact CE2-CB 4.04Å; F18-W22 HydrophobicContact CE2-CD2 4.42Å; F18-W22 AromaticContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CE3 4Å; F18-W22 HydrophobicContact CE2-CG 4.48Å; F18-W22 HydrophobicContact CZ-CB 3.64Å; F18-W22 AromaticContact CZ-CD2 3.65Å; F18-W22 HydrophobicContact CZ-CD2 3.65Å; F18-W22 AromaticContact CZ-CE3 3.54Å; F18-W22 HydrophobicContact CZ-CE3 3.54Å; F18-W22 AromaticContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CG 3.71Å; F18-W22 HydrophobicContact CZ-CZ3 4.39Å; F18-W22 WeakPolarHBondContact O-CB 3.26Å; F18-W22 PolarHBondContact O-N 2.82Å; Y20-W22 VanDerWaalsContact C-N 3.34Å; Y20-W22 PolarHBondContact O-N 3.4Å; W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.93Å; W22-L25 PolarHBondContact O-N 3.41Å; W22-Q26 HydrophobicContact CD2-CG 4.35Å; W22-Q26 HydrophobicContact CZ2-CG 4.41Å; W22-Q26 WeakPolarHBondContact O-CB 3.2Å; W22-Q26 VanDerWaalsContact O-CG 3.28Å; W22-Q26 WeakPolarHBondContact O-CG 3.36Å; W22-Q26 PolarHBondContact O-N 2.91Å; W22-P133 HydrophobicContact CD2-CB 4.3Å; W22-P133 HydrophobicContact CE3-CB 4.34Å; W22-P133 HydrophobicContact CH2-CB 3.91Å; W22-P133 HydrophobicContact CZ2-CB 3.86Å; W22-P133 VanDerWaalsContact CZ2-O 3.28Å; W22-P133 WeakPolarHBondContact CZ2-O 3.33Å; W22-P133 HydrophobicContact CZ3-CB 4.14Å; W22-L134 PolarHBondContact NE1-O 3.17Å; W22-E135 HydrophobicContact CZ2-CG 4.3Å; W22-F215 HydrophobicContact CE3-CE2 4.1Å; W22-F215 HydrophobicContact CZ3-CD2 4.41Å; W22-F215 HydrophobicContact CZ3-CE2 4.2Å
23	F	97.6	Very high	96.2	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-37.8	179.8	-74.4	-58.4	0	0	0	112.3	A19 A27 W63 C111 L112 W119 V124 I127	A19-F23 HydrophobicContact CB-CD2 4.47Å; A19-F23 HydrophobicContact CB-CE2 4.38Å; A19-F23 WeakPolarHBondContact O-CD2 3.23Å; A19-F23 PolarHBondContact O-N 3.15Å; F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.21Å; F23-W63 HydrophobicContact CB-CZ2 4.49Å; F23-W63 AromaticContact CD2-CH2 3.75Å; F23-W63 HydrophobicContact CD2-CH2 3.75Å; F23-W63 AromaticContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CE2-CH2 4.21Å; F23-W63 HydrophobicContact CE2-CZ2 4.18Å; F23-W63 HydrophobicContact CG-CZ2 4.39Å; F23-C111 HydrophobicContact CD1-CB 3.91Å; F23-C111 HydrophobicContact CD2-CB 4.28Å; F23-C111 HydrophobicContact CE1-CB 4.14Å; F23-C111 HydrophobicContact CE2-CB 4.48Å; F23-C111 HydrophobicContact CG-CB 4Å; F23-C111 HydrophobicContact CZ-CB 4.41Å; F23-L112 HydrophobicContact CB-CD1 4.29Å; F23-L112 WeakPolarHBondContact O-CD1 3.24Å; F23-W119 HydrophobicContact CD1-CD2 4.18Å; F23-W119 AromaticContact CD1-CE2 3.73Å; F23-W119 HydrophobicContact CD1-CH2 4.1Å; F23-W119 AromaticContact CD1-CZ2 3.7Å; F23-W119 HydrophobicContact CD1-CZ2 3.7Å; F23-W119 AromaticContact CE1-CD2 3.7Å; F23-W119 HydrophobicContact CE1-CD2 3.7Å; F23-W119 AromaticContact CE1-CE2 3.75Å; F23-W119 AromaticContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CG 4.24Å; F23-W119 HydrophobicContact CE1-CH2 4.05Å; F23-W119 AromaticContact CE1-CZ2 3.95Å; F23-W119 HydrophobicContact CE1-CZ2 3.95Å; F23-W119 AromaticContact CE1-CZ3 4Å; F23-W119 HydrophobicContact CE1-CZ3 4Å; F23-V124 HydrophobicContact CZ-CB 4.44Å; F23-V124 HydrophobicContact CZ-CG1 4.19Å; F23-V124 HydrophobicContact CZ-CG2 4.21Å; F23-I127 HydrophobicContact CD2-CG2 4.31Å; F23-I127 HydrophobicContact CE1-CD1 3.72Å; F23-I127 HydrophobicContact CE1-CG2 4.44Å; F23-I127 HydrophobicContact CE2-CB 4.26Å; F23-I127 HydrophobicContact CE2-CG2 3.62Å; F23-I127 HydrophobicContact CZ-CB 3.94Å; F23-I127 HydrophobicContact CZ-CD1 3.67Å; F23-I127 HydrophobicContact CZ-CG1 4.42Å; F23-I127 HydrophobicContact CZ-CG2 3.69Å
24	N	97.3	Very high	96.1	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	20%	0.197	C	C	.	.	H	α-helix	trans	-72.7	-42.2	178.2	-77.6	-72.6	0	0	0	112.6	Y20 T21 W22 Q26 A27 R28 L52 L112	Y20-N24 WeakPolarHBondContact CD2-ND2 3.46Å; Y20-N24 VanDerWaalsContact CE2-ND2 3.31Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.46Å; Y20-N24 WeakPolarHBondContact O-CB 3.12Å; Y20-N24 PolarHBondContact O-N 3.47Å; Y20-N24 VanDerWaalsContact O-N 3.08Å; Y20-N24 PolarHBondContact O-ND2 3.46Å; T21-N24 PolarHBondContact O-N 3.02Å; W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.93Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.03Å; N24-A27 CarbonylContact O-C 3.54Å; N24-A27 WeakPolarHBondContact O-CB 3.3Å; N24-A27 PolarHBondContact O-N 3.33Å; N24-A27 VanDerWaalsContact O-N 3.11Å; N24-R28 VanDerWaalsContact O-CG 3.25Å; N24-R28 WeakPolarHBondContact O-CG 3.23Å; N24-R28 PolarHBondContact O-N 3.11Å; N24-L52 HydrophobicContact CB-CD1 3.66Å; N24-L52 HydrophobicContact CB-CD2 3.65Å; N24-L52 HydrophobicContact CB-CG 4.29Å; N24-L112 WeakPolarHBondContact OD1-CD2 3.43Å
25	L	96.6	Very high	96	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-47.9	175	176.9	63.2	0	0	0	110.2	T21 W22 A27 R28 K29 M40 V48 L52 V214 F215	T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 PolarHBondContact O-N 3.4Å; W22-L25 PolarHBondContact O-N 3.41Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.04Å; L25-R28 PolarHBondContact O-N 3.13Å; L25-R28 VanDerWaalsContact O-N 3.1Å; L25-K29 HydrophobicContact CD1-CD 4.47Å; L25-K29 HydrophobicContact CD1-CG 4.43Å; L25-K29 HydrophobicContact CG-CD 4.21Å; L25-K29 WeakPolarHBondContact O-CG 3.21Å; L25-K29 PolarHBondContact O-N 3.22Å; L25-M40 HydrophobicContact CD1-CE 4.4Å; L25-V48 HydrophobicContact CD1-CB 4.22Å; L25-V48 HydrophobicContact CD1-CG1 3.69Å; L25-L52 HydrophobicContact CB-CD1 4.05Å; L25-V214 HydrophobicContact CD2-CG2 4.08Å; L25-F215 HydrophobicContact CD2-CE2 3.87Å
26	Q	95.9	Very high	95.9	Very high	13 Å²	13	53 Å²	53	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-28.3	176.6	-69.6	-69.8	0.1	0	0	113.1	W22 N24 R30 W119 E135	W22-Q26 HydrophobicContact CD2-CG 4.35Å; W22-Q26 HydrophobicContact CZ2-CG 4.41Å; W22-Q26 WeakPolarHBondContact O-CB 3.2Å; W22-Q26 VanDerWaalsContact O-CG 3.28Å; W22-Q26 WeakPolarHBondContact O-CG 3.36Å; W22-Q26 PolarHBondContact O-N 2.91Å; N24-Q26 VanDerWaalsContact C-N 3.34Å; N24-Q26 PolarHBondContact O-N 3.03Å; Q26-R30 WeakPolarHBondContact O-CG 3.33Å; Q26-R30 VanDerWaalsContact O-CZ 3.24Å; Q26-R30 PolarHBondContact O-N 2.84Å; Q26-R30 PolarHBondContact O-NH1 2.88Å; Q26-W119 HydrophobicContact CB-CZ2 4.38Å; Q26-E135 PolarHBondContact NE2-OE1 2.86Å
27	A	96.1	Very high	95.9	Very high	21 Å²	21	57.7 Å²	57.7	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-74.4	-40.5	170.4	0	0	0	0	0	112.6	F23 N24 L25 R30 K31 L112	F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.21Å; N24-A27 CarbonylContact O-C 3.54Å; N24-A27 WeakPolarHBondContact O-CB 3.3Å; N24-A27 PolarHBondContact O-N 3.33Å; N24-A27 VanDerWaalsContact O-N 3.11Å; L25-A27 VanDerWaalsContact C-N 3.26Å; L25-A27 PolarHBondContact O-N 3.04Å; A27-R30 PolarHBondContact O-N 2.92Å; A27-K31 WeakPolarHBondContact O-CB 3.21Å; A27-K31 PolarHBondContact O-N 3.41Å; A27-L112 HydrophobicContact CB-CD1 3.69Å
28	R	95.6	Very high	95.9	Very high	84 Å²	84	63.2 Å²	63.2	32%	0.317	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-46.1	176	-62.3	-129.7	-168.7	156.7	-1.3	111.5	N24 L25 R30 K31 Y32 V48 E51	N24-R28 VanDerWaalsContact O-CG 3.25Å; N24-R28 WeakPolarHBondContact O-CG 3.23Å; N24-R28 PolarHBondContact O-N 3.11Å; L25-R28 PolarHBondContact O-N 3.13Å; L25-R28 VanDerWaalsContact O-N 3.1Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 2.88Å; R28-K31 PolarHBondContact O-N 3.29Å; R28-K31 VanDerWaalsContact O-N 3.12Å; R28-Y32 WeakPolarHBondContact O-CB 3.29Å; R28-Y32 PolarHBondContact O-N 2.77Å; R28-V48 HydrophobicContact CB-CG1 3.9Å; R28-V48 HydrophobicContact CG-CG1 3.88Å; R28-E51 IonicContact CZ-OE1 2.67Å; R28-E51 IonicContact CZ-OE2 2.81Å; R28-E51 VanDerWaalsContact NH1-CD 3.28Å; R28-E51 IonicContact NH1-OE1 3.14Å; R28-E51 PolarHBondContact NH1-OE1 3.13Å; R28-E51 IonicContact NH1-OE2 2.63Å; R28-E51 PolarHBondContact NH1-OE2 3.34Å; R28-E51 IonicContact NH2-OE1 2.68Å; R28-E51 PolarHBondContact NH2-OE1 3.37Å; R28-E51 IonicContact NH2-OE2 3.78Å
29	K	94.6	Very high	95.8	Very high	41 Å²	41	73.1 Å²	73.1	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-51	-48.9	174	-72	175.8	65.4	128.3	0	111.9	L25 F33 M40 E45	L25-K29 HydrophobicContact CD1-CD 4.47Å; L25-K29 HydrophobicContact CD1-CG 4.43Å; L25-K29 HydrophobicContact CG-CD 4.21Å; L25-K29 WeakPolarHBondContact O-CG 3.21Å; L25-K29 PolarHBondContact O-N 3.22Å; K29-F33 PolarHBondContact O-N 3.3Å; K29-F33 VanDerWaalsContact O-N 3.08Å; K29-M40 HydrophobicContact CB-CE 4.47Å; K29-M40 HydrophobicContact CG-CE 3.64Å; K29-E45 VanDerWaalsContact CD-OE1 3.27Å; K29-E45 WeakPolarHBondContact CD-OE1 3.41Å; K29-E45 WeakPolarHBondContact CE-OE1 3.42Å; K29-E45 VanDerWaalsContact CG-OE1 3.3Å; K29-E45 WeakPolarHBondContact CG-OE1 3.15Å; K29-E45 IonicContact NZ-OE1 2.71Å; K29-E45 PolarHBondContact NZ-OE1 3.36Å; K29-E45 IonicContact NZ-OE2 3.09Å; K29-E45 PolarHBondContact NZ-OE2 3.35Å
30	R	94	Very high	95.6	Very high	68 Å²	68	73.9 Å²	73.9	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.2	-70.2	-171	-58.8	-90.2	-4.7	113.3	Q26 A27 R28 Y32 F33 K34	Q26-R30 WeakPolarHBondContact O-CG 3.33Å; Q26-R30 VanDerWaalsContact O-CZ 3.24Å; Q26-R30 PolarHBondContact O-N 2.84Å; Q26-R30 PolarHBondContact O-NH1 2.88Å; A27-R30 PolarHBondContact O-N 2.92Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 2.88Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-F33 PolarHBondContact O-N 3.46Å; R30-K34 WeakPolarHBondContact O-CB 3.49Å; R30-K34 PolarHBondContact O-N 3.13Å
31	K	94.5	Very high	95.4	Very high	162 Å²	162	75.1 Å²	75.1	70%	0.704	33%	0.331	S	S	*	.	H	α-helix	trans	-65.8	-37.4	178.8	-172.8	177.8	179.5	-178.5	0	112	A27 R28 K35	A27-K31 WeakPolarHBondContact O-CB 3.21Å; A27-K31 PolarHBondContact O-N 3.41Å; R28-K31 PolarHBondContact O-N 3.29Å; R28-K31 VanDerWaalsContact O-N 3.12Å; K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 2.88Å
32	Y	95	Very high	95.2	Very high	46 Å²	46	78.4 Å²	78.4	18%	0.18	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-54.2	172.9	-171.7	-74.6	0	0	0	110.2	R28 R30 K34 K35 H36 K38 M40 E44	R28-Y32 WeakPolarHBondContact O-CB 3.29Å; R28-Y32 PolarHBondContact O-N 2.77Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-K34 VanDerWaalsContact C-N 3.32Å; Y32-K34 PolarHBondContact O-N 2.82Å; Y32-K35 PolarHBondContact O-N 2.95Å; Y32-H36 HydrophobicContact CD1-CB 4.11Å; Y32-H36 HydrophobicContact CE1-CB 3.86Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.43Å; Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; Y32-M40 HydrophobicContact CD1-CB 3.87Å; Y32-M40 HydrophobicContact CD2-CB 4.12Å; Y32-M40 HydrophobicContact CD2-CG 3.89Å; Y32-M40 HydrophobicContact CD2-SD 3.81Å; Y32-M40 HydrophobicContact CE1-CB 4.16Å; Y32-M40 HydrophobicContact CE2-CB 4.37Å; Y32-M40 HydrophobicContact CE2-CG 4.01Å; Y32-M40 HydrophobicContact CE2-SD 4.39Å; Y32-M40 HydrophobicContact CG-CB 3.86Å; Y32-M40 HydrophobicContact CG-CG 4.14Å; Y32-M40 HydrophobicContact CG-SD 4.2Å; Y32-E44 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E44 VanDerWaalsContact CZ-OE1 3.25Å; Y32-E44 VanDerWaalsContact OH-CD 3.26Å; Y32-E44 PolarHBondContact OH-OE1 3.01Å; Y32-E44 PolarHBondContact OH-OE2 3.38Å
33	F	94.6	Very high	95	Very high	110 Å²	110	82.6 Å²	82.6	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-43.2	178.5	-173.7	-92.9	0	0	0	112.4	K29 R30 K35 E37 K38 R39	K29-F33 PolarHBondContact O-N 3.3Å; K29-F33 VanDerWaalsContact O-N 3.08Å; R30-F33 PolarHBondContact O-N 3.46Å; F33-K35 PolarHBondContact O-N 3.16Å; F33-E37 WeakPolarHBondContact CE2-O 3.4Å; F33-E37 VanDerWaalsContact O-CA 3.24Å; F33-E37 WeakPolarHBondContact O-CA 3.43Å; F33-E37 PolarHBondContact O-N 2.95Å; F33-K38 WeakPolarHBondContact CA-O 3.49Å; F33-R39 HydrophobicContact CD2-CG 4.38Å
34	K	94.3	Very high	94.9	Very high	150 Å²	150	85.8 Å²	85.8	65%	0.652	38%	0.381	S	S	*	.	H	α-helix	trans	-66.1	-19	176.9	-172.3	173.5	174.7	175.2	0	114.2	R30 Y32 D116	R30-K34 WeakPolarHBondContact O-CB 3.49Å; R30-K34 PolarHBondContact O-N 3.13Å; Y32-K34 VanDerWaalsContact C-N 3.32Å; Y32-K34 PolarHBondContact O-N 2.82Å; K34-D116 IonicContact NZ-OD2 2.64Å; K34-D116 PolarHBondContact NZ-OD2 2.88Å
35	K	95.4	Very high	94.9	Very high	157 Å²	157	85.1 Å²	85.1	68%	0.683	38%	0.377	S	S	*	.	H	α-helix	trans	-100.6	-29.9	179.8	177.6	177.4	172.3	-111.2	0	113.3	K31 Y32 F33	K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 2.88Å; Y32-K35 PolarHBondContact O-N 2.95Å; F33-K35 PolarHBondContact O-N 3.16Å
36	H	95.1	Very high	94.9	Very high	88 Å²	88	89.5 Å²	89.5	41%	0.407	39%	0.393	S	S	.	.	H	α-helix	trans	-120.3	-2.9	-169.9	-68.4	-86.6	0	0	0	113.8	Y32 K38	Y32-H36 HydrophobicContact CD1-CB 4.11Å; Y32-H36 HydrophobicContact CE1-CB 3.86Å; Y32-H36 WeakPolarHBondContact O-CB 3.26Å; Y32-H36 PolarHBondContact O-N 3.43Å; H36-K38 PolarHBondContact O-N 3.18Å
37	E	96.6	Very high	94.9	Very high	176 Å²	176	91.8 Å²	91.8	82%	0.822	41%	0.414	S	S	*	.	S	Bend	trans	54.1	7.9	-176.4	-55.8	-166.1	125.1	0	0	115.4	F33	F33-E37 WeakPolarHBondContact CE2-O 3.4Å; F33-E37 VanDerWaalsContact O-CA 3.24Å; F33-E37 WeakPolarHBondContact O-CA 3.43Å; F33-E37 PolarHBondContact O-N 2.95Å
38	K	95.6	Very high	95	Very high	136 Å²	136	91.6 Å²	91.6	59%	0.591	41%	0.411	S	S	*	.	S	Bend	trans	-122	149.4	-177	-169.9	-169.8	170.4	-174	0	109.3	Y32 F33 H36	Y32-K38 WeakPolarHBondContact CD1-O 3.49Å; F33-K38 WeakPolarHBondContact CA-O 3.49Å; H36-K38 PolarHBondContact O-N 3.18Å
39	R	93.3	Very high	95	Very high	210 Å²	210	87.9 Å²	87.9	79%	0.792	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-66.3	142.5	167.7	-67.3	-179.7	-179.4	166.9	0.5	109.9	F33	F33-R39 HydrophobicContact CD2-CG 4.38Å
40	M	93.3	Very high	95.1	Very high	16 Å²	16	89.3 Å²	89.3	8%	0.079	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-61	138.6	171.7	-169.6	161	58.8	0	0	109.2	L25 K29 Y32 E44 E45 V48	L25-M40 HydrophobicContact CD1-CE 4.4Å; K29-M40 HydrophobicContact CB-CE 4.47Å; K29-M40 HydrophobicContact CG-CE 3.64Å; Y32-M40 HydrophobicContact CD1-CB 3.87Å; Y32-M40 HydrophobicContact CD2-CB 4.12Å; Y32-M40 HydrophobicContact CD2-CG 3.89Å; Y32-M40 HydrophobicContact CD2-SD 3.81Å; Y32-M40 HydrophobicContact CE1-CB 4.16Å; Y32-M40 HydrophobicContact CE2-CB 4.37Å; Y32-M40 HydrophobicContact CE2-CG 4.01Å; Y32-M40 HydrophobicContact CE2-SD 4.39Å; Y32-M40 HydrophobicContact CG-CB 3.86Å; Y32-M40 HydrophobicContact CG-CG 4.14Å; Y32-M40 HydrophobicContact CG-SD 4.2Å; M40-E44 HydrophobicContact CG-CB 3.34Å; M40-E44 HydrophobicContact CG-CG 4.39Å; M40-E44 HydrophobicContact SD-CB 4.01Å; M40-E45 HydrophobicContact CB-CG 4.04Å; M40-E45 HydrophobicContact CE-CB 4.29Å; M40-E45 HydrophobicContact CE-CG 3.9Å; M40-E45 HydrophobicContact CG-CG 4Å; M40-V48 HydrophobicContact CE-CB 4.46Å; M40-V48 HydrophobicContact CE-CG2 4.39Å; M40-V48 HydrophobicContact SD-CG2 4.15Å
41	S	94.1	Very high	95.3	Very high	43 Å²	43	90.8 Å²	90.8	30%	0.301	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-69.5	158.7	178.3	63.2	0	0	0	0	111.6	E43 E44 E45	S41-E43 PolarHBondContact O-N 3.44Å; S41-E43 VanDerWaalsContact O-N 3.11Å; S41-E44 VanDerWaalsContact CB-OE2 3.25Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact OG-CD 3.28Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.5Å; S41-E44 PolarHBondContact OG-N 2.87Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; S41-E45 WeakPolarHBondContact O-CB 3.46Å; S41-E45 WeakPolarHBondContact O-CG 3.25Å; S41-E45 PolarHBondContact O-N 3.46Å
42	K	92.3	Very high	95.5	Very high	72 Å²	72	83.2 Å²	83.2	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-52	-34	176.1	-83.2	-89.8	-170.6	165.6	0	112.1	R46 T211 G213 V214	K42-R46 VanDerWaalsContact O-CB 3.26Å; K42-R46 WeakPolarHBondContact O-CB 3.48Å; K42-R46 PolarHBondContact O-N 3.03Å; K42-T211 VanDerWaalsContact CE-O 3.26Å; K42-T211 WeakPolarHBondContact CE-O 3.32Å; K42-T211 PolarHBondContact NZ-O 3.15Å; K42-T211 PolarHBondContact NZ-OG1 2.91Å; K42-G213 PolarHBondContact NZ-O 3.09Å; K42-V214 HydrophobicContact CD-CG1 4.12Å; K42-V214 WeakPolarHBondContact O-CG1 3.47Å
43	E	94	Very high	95.5	Very high	111 Å²	111	83.5 Å²	83.5	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-79.3	-42.7	-175.7	-72.6	49.6	-108.6	0	0	111.4	S41 R46 A47	S41-E43 PolarHBondContact O-N 3.44Å; S41-E43 VanDerWaalsContact O-N 3.11Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-CZ 2.77Å; E43-R46 IonicContact OE1-NH1 3.41Å; E43-R46 PolarHBondContact OE1-NH1 2.91Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.02Å; E43-R46 VanDerWaalsContact OE1-NH2 3.14Å; E43-A47 PolarHBondContact O-N 2.79Å
44	E	95.8	Very high	95.5	Very high	68 Å²	68	82.8 Å²	82.8	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-41.6	169.8	-68	163.3	120.3	0	0	111.6	Y32 M40 S41 R46 A47 V48	Y32-E44 WeakPolarHBondContact CE2-OE1 3.23Å; Y32-E44 VanDerWaalsContact CZ-OE1 3.25Å; Y32-E44 VanDerWaalsContact OH-CD 3.26Å; Y32-E44 PolarHBondContact OH-OE1 3.01Å; Y32-E44 PolarHBondContact OH-OE2 3.38Å; M40-E44 HydrophobicContact CG-CB 3.34Å; M40-E44 HydrophobicContact CG-CG 4.39Å; M40-E44 HydrophobicContact SD-CB 4.01Å; S41-E44 VanDerWaalsContact CB-OE2 3.25Å; S41-E44 WeakPolarHBondContact CB-OE2 3.32Å; S41-E44 PolarHBondContact N-OE2 3.01Å; S41-E44 PolarHBondContact O-N 3.02Å; S41-E44 VanDerWaalsContact OG-CD 3.28Å; S41-E44 VanDerWaalsContact OG-CG 3.28Å; S41-E44 WeakPolarHBondContact OG-CG 3.5Å; S41-E44 PolarHBondContact OG-N 2.87Å; S41-E44 PolarHBondContact OG-OE2 3.26Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; E44-A47 PolarHBondContact O-N 2.76Å; E44-V48 WeakPolarHBondContact O-CB 3.47Å; E44-V48 WeakPolarHBondContact O-CG2 3.26Å; E44-V48 PolarHBondContact O-N 3.46Å
45	E	96.2	Very high	95.7	Very high	13 Å²	13	78.5 Å²	78.5	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-41.5	174.5	-67.2	-121.5	159.8	0	0	111	K29 M40 S41 K49 V214	K29-E45 VanDerWaalsContact CD-OE1 3.27Å; K29-E45 WeakPolarHBondContact CD-OE1 3.41Å; K29-E45 WeakPolarHBondContact CE-OE1 3.42Å; K29-E45 VanDerWaalsContact CG-OE1 3.3Å; K29-E45 WeakPolarHBondContact CG-OE1 3.15Å; K29-E45 IonicContact NZ-OE1 2.71Å; K29-E45 PolarHBondContact NZ-OE1 3.36Å; K29-E45 IonicContact NZ-OE2 3.09Å; K29-E45 PolarHBondContact NZ-OE2 3.35Å; M40-E45 HydrophobicContact CB-CG 4.04Å; M40-E45 HydrophobicContact CE-CB 4.29Å; M40-E45 HydrophobicContact CE-CG 3.9Å; M40-E45 HydrophobicContact CG-CG 4Å; S41-E45 WeakPolarHBondContact O-CB 3.46Å; S41-E45 WeakPolarHBondContact O-CG 3.25Å; S41-E45 PolarHBondContact O-N 3.46Å; E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.14Å; E45-V214 HydrophobicContact CB-CB 4.31Å; E45-V214 HydrophobicContact CB-CG1 3.4Å; E45-V214 HydrophobicContact CB-CG2 4.03Å; E45-V214 HydrophobicContact CG-CG1 4.4Å
46	R	95.9	Very high	95.7	Very high	94 Å²	94	77.8 Å²	77.8	36%	0.355	38%	0.375	S	S	.	.	H	α-helix	trans	-69.9	-46.2	178.7	-168.1	-175.8	-60.6	97.9	-4.5	111.5	K42 E43 E44 V48 K49 D50 V214	K42-R46 VanDerWaalsContact O-CB 3.26Å; K42-R46 WeakPolarHBondContact O-CB 3.48Å; K42-R46 PolarHBondContact O-N 3.03Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-CZ 2.77Å; E43-R46 IonicContact OE1-NH1 3.41Å; E43-R46 PolarHBondContact OE1-NH1 2.91Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 3.02Å; E43-R46 VanDerWaalsContact OE1-NH2 3.14Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; R46-V48 VanDerWaalsContact C-N 3.28Å; R46-V48 PolarHBondContact O-N 2.91Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 VanDerWaalsContact O-CB 3.23Å; R46-K49 WeakPolarHBondContact O-CB 3.31Å; R46-K49 PolarHBondContact O-N 3.44Å; R46-D50 VanDerWaalsContact O-CG 3.26Å; R46-D50 PolarHBondContact O-N 2.96Å; R46-V214 HydrophobicContact CB-CB 4.45Å; R46-V214 HydrophobicContact CB-CG1 4.34Å
47	A	97.1	Very high	95.7	Very high	61 Å²	61	77 Å²	77	50%	0.504	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-41.9	174.2	0	0	0	0	0	112	E43 E44 D50 E51	E43-A47 PolarHBondContact O-N 2.79Å; E44-A47 PolarHBondContact O-N 2.76Å; A47-D50 PolarHBondContact O-N 2.79Å; A47-E51 WeakPolarHBondContact O-CB 3.35Å; A47-E51 PolarHBondContact O-N 3.13Å
48	V	97.7	Very high	95.6	Very high	18 Å²	18	74.2 Å²	74.2	11%	0.109	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-36.2	174.3	170.6	0	0	0	0	112.4	L25 R28 M40 E44 R46 L52	L25-V48 HydrophobicContact CD1-CB 4.22Å; L25-V48 HydrophobicContact CD1-CG1 3.69Å; R28-V48 HydrophobicContact CB-CG1 3.9Å; R28-V48 HydrophobicContact CG-CG1 3.88Å; M40-V48 HydrophobicContact CE-CB 4.46Å; M40-V48 HydrophobicContact CE-CG2 4.39Å; M40-V48 HydrophobicContact SD-CG2 4.15Å; E44-V48 WeakPolarHBondContact O-CB 3.47Å; E44-V48 WeakPolarHBondContact O-CG2 3.26Å; E44-V48 PolarHBondContact O-N 3.46Å; R46-V48 VanDerWaalsContact C-N 3.28Å; R46-V48 PolarHBondContact O-N 2.91Å; V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 4.42Å; V48-L52 WeakPolarHBondContact O-CB 3.38Å; V48-L52 WeakPolarHBondContact O-CD1 3.31Å; V48-L52 WeakPolarHBondContact O-CG 3.41Å; V48-L52 PolarHBondContact O-N 3.02Å; V48-L52 VanDerWaalsContact O-N 3.11Å
49	K	96.8	Very high	95.7	Very high	6 Å²	6	70.6 Å²	70.6	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-57.4	-50.3	172.5	-174.3	-164.2	76.1	175.6	0	110.2	E45 R46 L52 L53 V214 F215 E219	E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.14Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 VanDerWaalsContact O-CB 3.23Å; R46-K49 WeakPolarHBondContact O-CB 3.31Å; R46-K49 PolarHBondContact O-N 3.44Å; K49-L52 CarbonylContact O-C 3.58Å; K49-L52 PolarHBondContact O-N 2.71Å; K49-L53 HydrophobicContact CD-CD1 4.31Å; K49-L53 HydrophobicContact CG-CD1 3.94Å; K49-L53 HydrophobicContact CG-CG 4.49Å; K49-L53 WeakPolarHBondContact O-CB 3.27Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.11Å; K49-V214 HydrophobicContact CB-CG2 4.08Å; K49-V214 HydrophobicContact CD-CB 4.45Å; K49-V214 HydrophobicContact CD-CG2 4.12Å; K49-V214 WeakPolarHBondContact CD-O 3.25Å; K49-V214 HydrophobicContact CG-CG2 4.4Å; K49-V214 PolarHBondContact NZ-O 2.95Å; K49-F215 HydrophobicContact CD-CD1 3.74Å; K49-F215 HydrophobicContact CD-CD2 4.14Å; K49-F215 HydrophobicContact CD-CE1 3.74Å; K49-F215 HydrophobicContact CD-CE2 4.14Å; K49-F215 HydrophobicContact CD-CG 3.95Å; K49-F215 HydrophobicContact CD-CZ 3.94Å; K49-F215 HydrophobicContact CG-CD1 4.3Å; K49-F215 HydrophobicContact CG-CE1 3.76Å; K49-F215 HydrophobicContact CG-CE2 3.99Å; K49-F215 HydrophobicContact CG-CZ 3.59Å; K49-E219 IonicContact NZ-OE1 3.4Å; K49-E219 PolarHBondContact NZ-OE1 2.93Å; K49-E219 IonicContact NZ-OE2 2.71Å; K49-E219 PolarHBondContact NZ-OE2 3.22Å
50	D	96.7	Very high	95.8	Very high	71 Å²	71	61.9 Å²	61.9	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-73.9	-35.1	-171.1	-59.7	-28.6	0	0	0	112.1	R46 A47 L53 S54	R46-D50 VanDerWaalsContact O-CG 3.26Å; R46-D50 PolarHBondContact O-N 2.96Å; A47-D50 PolarHBondContact O-N 2.79Å; D50-L53 PolarHBondContact O-N 2.82Å; D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 2.94Å; D50-S54 PolarHBondContact O-OG 2.88Å
51	E	97.8	Very high	96	Very high	99 Å²	99	63 Å²	63	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-46.5	167.2	-167.3	-159.4	136.4	0	0	111.5	R28 A47 L53 S54 E55	R28-E51 IonicContact CZ-OE1 2.67Å; R28-E51 IonicContact CZ-OE2 2.81Å; R28-E51 VanDerWaalsContact NH1-CD 3.28Å; R28-E51 IonicContact NH1-OE1 3.14Å; R28-E51 PolarHBondContact NH1-OE1 3.13Å; R28-E51 IonicContact NH1-OE2 2.63Å; R28-E51 PolarHBondContact NH1-OE2 3.34Å; R28-E51 IonicContact NH2-OE1 2.68Å; R28-E51 PolarHBondContact NH2-OE1 3.37Å; R28-E51 IonicContact NH2-OE2 3.78Å; A47-E51 WeakPolarHBondContact O-CB 3.35Å; A47-E51 PolarHBondContact O-N 3.13Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.4Å; E51-S54 WeakPolarHBondContact CA-OG 3.31Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-S54 PolarHBondContact O-OG 3.43Å; E51-S54 VanDerWaalsContact O-OG 3.1Å; E51-E55 PolarHBondContact O-N 2.93Å
52	L	97.2	Very high	96.1	Very high	2 Å²	2	67 Å²	67	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-75	-15.9	179.8	-68.5	172.4	0	0	0	113.7	Y20 T21 N24 L25 V48 K49 K60	Y20-L52 HydrophobicContact CE1-CD2 4.02Å; T21-L52 HydrophobicContact CG2-CB 3.79Å; T21-L52 PolarHBondContact OG1-O 3.24Å; N24-L52 HydrophobicContact CB-CD1 3.66Å; N24-L52 HydrophobicContact CB-CD2 3.65Å; N24-L52 HydrophobicContact CB-CG 4.29Å; L25-L52 HydrophobicContact CB-CD1 4.05Å; V48-L52 HydrophobicContact CG1-CD1 3.77Å; V48-L52 HydrophobicContact CG1-CG 4.42Å; V48-L52 WeakPolarHBondContact O-CB 3.38Å; V48-L52 WeakPolarHBondContact O-CD1 3.31Å; V48-L52 WeakPolarHBondContact O-CG 3.41Å; V48-L52 PolarHBondContact O-N 3.02Å; V48-L52 VanDerWaalsContact O-N 3.11Å; K49-L52 CarbonylContact O-C 3.58Å; K49-L52 PolarHBondContact O-N 2.71Å; L52-K60 WeakPolarHBondContact O-CE 3.35Å
53	L	95.4	Very high	96.3	Very high	53 Å²	53	64.7 Å²	64.7	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-84.2	-37.3	169.5	-74.8	172.8	0	0	0	111.5	T21 K49 D50 E51 K60 F215 V223	T21-L53 HydrophobicContact CG2-CD2 3.9Å; T21-L53 HydrophobicContact CG2-CG 3.92Å; K49-L53 HydrophobicContact CD-CD1 4.31Å; K49-L53 HydrophobicContact CG-CD1 3.94Å; K49-L53 HydrophobicContact CG-CG 4.49Å; K49-L53 WeakPolarHBondContact O-CB 3.27Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.11Å; D50-L53 PolarHBondContact O-N 2.82Å; E51-L53 VanDerWaalsContact C-N 3.29Å; E51-L53 PolarHBondContact O-N 3.4Å; L53-K60 PolarHBondContact O-NZ 2.7Å; L53-F215 HydrophobicContact CD1-CE1 4.3Å; L53-V223 HydrophobicContact CD2-CG1 4.12Å
54	S	95.8	Very high	96.5	Very high	94 Å²	94	59.5 Å²	59.5	66%	0.657	30%	0.304	S	S	*	.	H	α-helix	trans	-79.3	-16.6	177.2	52.3	0	0	0	0	114.4	D50 E51	D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 2.94Å; D50-S54 PolarHBondContact O-OG 2.88Å; E51-S54 WeakPolarHBondContact CA-OG 3.31Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-S54 PolarHBondContact O-OG 3.43Å; E51-S54 VanDerWaalsContact O-OG 3.1Å
55	E	97	Very high	96.6	Very high	60 Å²	60	56.9 Å²	56.9	28%	0.28	29%	0.294	S	S	.	.	S	Bend	trans	-45.1	141.9	172.8	173.2	69.1	-79	0	0	113.5	Y20 E51 V59 K60	Y20-E55 HydrophobicContact CE1-CB 4.11Å; Y20-E55 HydrophobicContact CE1-CG 3.65Å; Y20-E55 PolarHBondContact OH-OE2 3.49Å; Y20-E55 VanDerWaalsContact OH-OE2 3.12Å; E51-E55 PolarHBondContact O-N 2.93Å; E55-V59 HydrophobicContact CG-CB 4.12Å; E55-V59 HydrophobicContact CG-CG1 4.13Å; E55-K60 HydrophobicContact CG-CG 4.26Å; E55-K60 WeakPolarHBondContact O-CE 3.37Å; E55-K60 PolarHBondContact O-NZ 2.96Å
56	K	96.1	Very high	96.6	Very high	142 Å²	142	63.7 Å²	63.7	62%	0.617	32%	0.319	S	S	*	.			trans	-64.6	141.3	-169.5	-65.5	-172.6	172.2	-176.2	0	113	E58 V59 K60	K56-E58 VanDerWaalsContact C-N 3.25Å; K56-E58 WeakPolarHBondContact CB-OE2 3.44Å; K56-E58 PolarHBondContact O-N 3.04Å; K56-V59 HydrophobicContact CB-CG2 4.15Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.04Å; K56-K60 PolarHBondContact O-N 2.69Å; K56-K60 VanDerWaalsContact O-N 3.16Å
57	P	94.7	Very high	96.7	Very high	71 Å²	71	59.3 Å²	59.3	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-32	-176.9	24.5	-31.9	0	0	0	112.5	V59 K60 Q61	P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.31Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.03Å; P57-Q61 WeakPolarHBondContact O-CB 3.28Å; P57-Q61 VanDerWaalsContact O-CG 3.32Å; P57-Q61 WeakPolarHBondContact O-CG 3.25Å; P57-Q61 PolarHBondContact O-N 3.32Å
58	E	95.7	Very high	96.7	Very high	119 Å²	119	56.4 Å²	56.4	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-66.3	-35	176.9	-52.6	72.8	-157.8	0	0	111.5	K56 K62	K56-E58 VanDerWaalsContact C-N 3.25Å; K56-E58 WeakPolarHBondContact CB-OE2 3.44Å; K56-E58 PolarHBondContact O-N 3.04Å; E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.99Å
59	V	96.5	Very high	96.7	Very high	59 Å²	59	57.2 Å²	57.2	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-69.3	-43.9	176.3	179.8	0	0	0	0	110.1	Y20 E55 K56 P57 K62 W63	Y20-V59 HydrophobicContact CE2-CG1 4.48Å; E55-V59 HydrophobicContact CG-CB 4.12Å; E55-V59 HydrophobicContact CG-CG1 4.13Å; K56-V59 HydrophobicContact CB-CG2 4.15Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.04Å; P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.31Å; V59-K62 PolarHBondContact O-N 2.89Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.39Å
60	K	96.5	Very high	96.7	Very high	28 Å²	28	60 Å²	60	12%	0.122	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-50.6	174.7	-70.1	172.2	174.2	153.3	0	111.5	Y20 L52 L53 E55 K56 P57 W63 A64 I228	Y20-K60 HydrophobicContact CD1-CD 4.45Å; Y20-K60 HydrophobicContact CD1-CG 3.72Å; Y20-K60 HydrophobicContact CD2-CB 4.45Å; Y20-K60 HydrophobicContact CD2-CG 4.15Å; Y20-K60 HydrophobicContact CE1-CG 4.15Å; Y20-K60 HydrophobicContact CG-CB 4.33Å; Y20-K60 HydrophobicContact CG-CG 3.74Å; L52-K60 WeakPolarHBondContact O-CE 3.35Å; L53-K60 PolarHBondContact O-NZ 2.7Å; E55-K60 HydrophobicContact CG-CG 4.26Å; E55-K60 WeakPolarHBondContact O-CE 3.37Å; E55-K60 PolarHBondContact O-NZ 2.96Å; K56-K60 PolarHBondContact O-N 2.69Å; K56-K60 VanDerWaalsContact O-N 3.16Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.03Å; K60-W63 WeakPolarHBondContact O-CB 3.08Å; K60-W63 PolarHBondContact O-N 3.34Å; K60-A64 PolarHBondContact O-N 2.77Å; K60-I228 VanDerWaalsContact C-CD1 3.48Å; K60-I228 HydrophobicContact CB-CD1 3.87Å; K60-I228 HydrophobicContact CB-CG1 3.87Å; K60-I228 VanDerWaalsContact O-CD1 3.23Å; K60-I228 WeakPolarHBondContact O-CD1 3.27Å
61	Q	96.6	Very high	96.8	Very high	39 Å²	39	56.7 Å²	56.7	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-45	176.5	-71.4	177.3	14	0	0	112.1	L12 P57 W63 A64 S65 I228	L12-Q61 HydrophobicContact CD2-CB 4.44Å; P57-Q61 WeakPolarHBondContact O-CB 3.28Å; P57-Q61 VanDerWaalsContact O-CG 3.32Å; P57-Q61 WeakPolarHBondContact O-CG 3.25Å; P57-Q61 PolarHBondContact O-N 3.32Å; Q61-W63 VanDerWaalsContact C-N 3.25Å; Q61-W63 PolarHBondContact O-N 3.1Å; Q61-A64 PolarHBondContact O-N 3.04Å; Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3Å; Q61-I228 HydrophobicContact CG-CG1 4.39Å; Q61-I228 VanDerWaalsContact CG-O 3.25Å; Q61-I228 WeakPolarHBondContact CG-O 3.37Å; Q61-I228 PolarHBondContact NE2-O 2.82Å
62	K	95.9	Very high	96.8	Very high	128 Å²	128	55.4 Å²	55.4	56%	0.557	27%	0.272	S	S	*	.	H	α-helix	trans	-61.6	-32.5	176.8	-170.4	170.2	-168.4	166.3	0	112.2	E58 V59 R66	E58-K62 WeakPolarHBondContact O-CB 3.47Å; E58-K62 PolarHBondContact O-N 2.99Å; V59-K62 PolarHBondContact O-N 2.89Å; K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 VanDerWaalsContact O-CD 3.24Å; K62-R66 WeakPolarHBondContact O-CD 3.34Å; K62-R66 WeakPolarHBondContact O-CG 2.75Å; K62-R66 PolarHBondContact O-N 2.94Å
63	W	97.4	Very high	96.8	Very high	23 Å²	23	62.6 Å²	62.6	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-50.1	168.3	164.9	82	0	0	0	112.1	A19 Y20 F23 V59 K60 Q61 S65 R66 L67 C111 L128 I228	A19-W63 HydrophobicContact CB-CH2 3.92Å; A19-W63 HydrophobicContact CB-CZ3 4.27Å; Y20-W63 HydrophobicContact CD2-CB 3.77Å; Y20-W63 AromaticContact CD2-CD2 3.68Å; Y20-W63 HydrophobicContact CD2-CD2 3.68Å; Y20-W63 AromaticContact CD2-CE3 3.74Å; Y20-W63 HydrophobicContact CD2-CE3 3.74Å; Y20-W63 AromaticContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CD2-CG 3.68Å; Y20-W63 HydrophobicContact CE2-CB 3.89Å; Y20-W63 HydrophobicContact CE2-CG 4.07Å; Y20-W63 HydrophobicContact CG-CE3 4.27Å; F23-W63 HydrophobicContact CB-CZ2 4.49Å; F23-W63 AromaticContact CD2-CH2 3.75Å; F23-W63 HydrophobicContact CD2-CH2 3.75Å; F23-W63 AromaticContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CD2-CZ2 3.52Å; F23-W63 HydrophobicContact CE2-CH2 4.21Å; F23-W63 HydrophobicContact CE2-CZ2 4.18Å; F23-W63 HydrophobicContact CG-CZ2 4.39Å; V59-W63 WeakPolarHBondContact O-CB 3.34Å; V59-W63 PolarHBondContact O-N 3.39Å; K60-W63 WeakPolarHBondContact O-CB 3.08Å; K60-W63 PolarHBondContact O-N 3.34Å; Q61-W63 VanDerWaalsContact C-N 3.25Å; Q61-W63 PolarHBondContact O-N 3.1Å; W63-S65 PolarHBondContact O-N 3.45Å; W63-R66 CarbonylContact O-C 3.42Å; W63-R66 WeakPolarHBondContact O-CB 3.19Å; W63-R66 PolarHBondContact O-N 3.23Å; W63-L67 HydrophobicContact CH2-CD2 3.87Å; W63-L67 HydrophobicContact CZ2-CD2 3.37Å; W63-L67 PolarHBondContact O-N 3.09Å; W63-C111 PolarHBondContact NE1-O 2.86Å; W63-L128 HydrophobicContact CH2-CD2 3.8Å; W63-L128 HydrophobicContact CZ3-CD2 4.34Å; W63-I228 HydrophobicContact CE3-CD1 4.12Å; W63-I228 HydrophobicContact CZ3-CD1 4.19Å
64	A	97.8	Very high	96.9	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-44.4	-178.2	0	0	0	0	0	112.2	L12 V15 K60 Q61 R66 L67 L68 I228	L12-A64 HydrophobicContact CD1-CB 3.67Å; V15-A64 HydrophobicContact CG1-CB 4.1Å; K60-A64 PolarHBondContact O-N 2.77Å; Q61-A64 PolarHBondContact O-N 3.04Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.42Å; A64-L67 CarbonylContact O-C 3.6Å; A64-L67 WeakPolarHBondContact O-CA 3.48Å; A64-L67 PolarHBondContact O-N 3.36Å; A64-L68 WeakPolarHBondContact O-CB 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.24Å; A64-I228 HydrophobicContact CB-CD1 3.64Å; A64-I228 HydrophobicContact CB-CG2 4.27Å
65	S	97.1	Very high	97	Very high	14 Å²	14	56.8 Å²	56.8	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-39.5	174.4	-63.1	0	0	0	0	112.1	Q61 W63 L67 A69	Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3Å; W63-S65 PolarHBondContact O-N 3.45Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 3.3Å; S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.1Å; S65-A69 PolarHBondContact O-N 2.81Å
66	R	96.7	Very high	97.1	Very high	156 Å²	156	57.8 Å²	57.8	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-67	-31	172.5	-75.2	169.4	170.5	178.8	-7.4	112.9	K62 W63 A64 K70	K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 VanDerWaalsContact O-CD 3.24Å; K62-R66 WeakPolarHBondContact O-CD 3.34Å; K62-R66 WeakPolarHBondContact O-CG 2.75Å; K62-R66 PolarHBondContact O-N 2.94Å; W63-R66 CarbonylContact O-C 3.42Å; W63-R66 WeakPolarHBondContact O-CB 3.19Å; W63-R66 PolarHBondContact O-N 3.23Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.42Å; R66-K70 WeakPolarHBondContact O-CE 3.46Å
67	L	98	Very high	97.2	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-76.8	-45.9	176	-175.2	50.6	0	0	0	111.7	W63 A64 S65 A69 K70 L71 I109 C111 V124 L128	W63-L67 HydrophobicContact CH2-CD2 3.87Å; W63-L67 HydrophobicContact CZ2-CD2 3.37Å; W63-L67 PolarHBondContact O-N 3.09Å; A64-L67 CarbonylContact O-C 3.6Å; A64-L67 WeakPolarHBondContact O-CA 3.48Å; A64-L67 PolarHBondContact O-N 3.36Å; S65-L67 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 3.3Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.72Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.03Å; L67-L71 WeakPolarHBondContact O-CB 3.32Å; L67-L71 PolarHBondContact O-N 3.18Å; L67-I109 HydrophobicContact CD1-CD1 4.07Å; L67-C111 HydrophobicContact CD2-CB 4.39Å; L67-V124 HydrophobicContact CD2-CG1 4.4Å; L67-L128 HydrophobicContact CD2-CD1 4.14Å; L67-L128 HydrophobicContact CD2-CD2 4.01Å; L67-L128 HydrophobicContact CG-CD1 4.39Å
68	L	98.2	Very high	97.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-39	172	-69.1	171.7	0	0	0	111.8	I8 L11 L12 V15 A64 K70 L71 R72 F129	I8-L68 HydrophobicContact CG1-CB 4.21Å; I8-L68 HydrophobicContact CG2-CB 4.15Å; I8-L68 HydrophobicContact CG2-CD1 4.09Å; L11-L68 HydrophobicContact CB-CD1 4.03Å; L11-L68 HydrophobicContact CB-CD2 3.99Å; L11-L68 HydrophobicContact CD1-CD2 4.19Å; L12-L68 HydrophobicContact CB-CD1 4.3Å; L12-L68 HydrophobicContact CD1-CD1 4.38Å; V15-L68 HydrophobicContact CG2-CD1 4.1Å; V15-L68 HydrophobicContact CG2-CD2 4.1Å; V15-L68 HydrophobicContact CG2-CG 4.32Å; A64-L68 WeakPolarHBondContact O-CB 3.21Å; A64-L68 WeakPolarHBondContact O-CG 3.47Å; A64-L68 PolarHBondContact O-N 3.24Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.27Å; L68-L71 HydrophobicContact CD2-CD2 4.11Å; L68-L71 PolarHBondContact O-N 3.02Å; L68-R72 WeakPolarHBondContact O-CB 3.34Å; L68-R72 PolarHBondContact O-N 3.33Å; L68-F129 HydrophobicContact CD2-CZ 4.11Å
69	A	97.3	Very high	97.5	Very high	35 Å²	35	53.5 Å²	53.5	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-31.6	174.6	0	0	0	0	0	113.9	I8 S65 L67	I8-A69 HydrophobicContact CD1-CB 3.76Å; S65-A69 VanDerWaalsContact O-CB 3.28Å; S65-A69 WeakPolarHBondContact O-CB 3.1Å; S65-A69 PolarHBondContact O-N 2.81Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 2.72Å
70	K	96.7	Very high	97.6	Very high	65 Å²	65	52.9 Å²	52.9	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-79.3	-46.9	172.3	-66.2	172.9	-69.9	-179.7	0	110.5	R66 L67 L68 R72 K73 D74 I109 D110	R66-K70 WeakPolarHBondContact O-CE 3.46Å; L67-K70 WeakPolarHBondContact O-CB 3.35Å; L67-K70 PolarHBondContact O-N 3.03Å; L68-K70 VanDerWaalsContact C-N 3.29Å; L68-K70 PolarHBondContact O-N 3.27Å; K70-R72 PolarHBondContact O-N 3.26Å; K70-K73 WeakPolarHBondContact O-CA 3.4Å; K70-K73 WeakPolarHBondContact O-CB 3.23Å; K70-K73 PolarHBondContact O-N 3.35Å; K70-D74 PolarHBondContact O-N 3.27Å; K70-D74 VanDerWaalsContact O-N 3.11Å; K70-I109 HydrophobicContact CB-CD1 3.79Å; K70-I109 HydrophobicContact CB-CG1 4.37Å; K70-D110 PolarHBondContact NZ-O 3.19Å
71	L	97.9	Very high	97.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.9	-40.2	178	-162.9	69.6	0	0	0	112.2	L67 L68 K73 D74 I75 F83 I109 L121 M125 L128 F129	L67-L71 WeakPolarHBondContact O-CB 3.32Å; L67-L71 PolarHBondContact O-N 3.18Å; L68-L71 HydrophobicContact CD2-CD2 4.11Å; L68-L71 PolarHBondContact O-N 3.02Å; L71-K73 VanDerWaalsContact C-N 3.28Å; L71-K73 PolarHBondContact O-N 2.83Å; L71-D74 PolarHBondContact O-N 3.43Å; L71-D74 VanDerWaalsContact O-N 3.17Å; L71-I75 HydrophobicContact CG-CD1 4.37Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.11Å; L71-F83 HydrophobicContact CD2-CE1 4.29Å; L71-F83 HydrophobicContact CD2-CZ 4.38Å; L71-I109 HydrophobicContact CD1-CD1 4.33Å; L71-L121 HydrophobicContact CD1-CD2 3.82Å; L71-M125 HydrophobicContact CD1-CE 3.71Å; L71-M125 HydrophobicContact CD1-SD 4.17Å; L71-M125 HydrophobicContact CD2-CE 3.87Å; L71-M125 HydrophobicContact CD2-SD 3.89Å; L71-M125 HydrophobicContact CG-CE 3.9Å; L71-M125 HydrophobicContact CG-SD 4.46Å; L71-L128 HydrophobicContact CD2-CD1 4.3Å; L71-F129 HydrophobicContact CD2-CE2 4.33Å
72	R	98	Very high	97.7	Very high	73 Å²	73	58 Å²	58	28%	0.275	26%	0.263	S	S	.	.	H	α-helix	trans	-56.6	-38.7	172.3	-171.8	-178.4	170.4	-95.1	4.6	112.7	H5 F7 L68 K70 I75 R80	H5-R72 PolarHBondContact CE1-NE 3.39Å; H5-R72 PolarHBondContact NE2-NE 3.34Å; H5-R72 VanDerWaalsContact NE2-NE 3.15Å; H5-R72 PolarHBondContact NE2-NH2 2.91Å; F7-R72 HydrophobicContact CD1-CB 3.69Å; F7-R72 HydrophobicContact CD1-CG 3.82Å; F7-R72 HydrophobicContact CD2-CG 4.34Å; F7-R72 HydrophobicContact CE1-CB 3.54Å; F7-R72 HydrophobicContact CE1-CG 4.03Å; F7-R72 HydrophobicContact CG-CB 4.38Å; F7-R72 HydrophobicContact CG-CG 4Å; F7-R72 HydrophobicContact CZ-CB 4.1Å; F7-R72 HydrophobicContact CZ-CG 4.37Å; L68-R72 WeakPolarHBondContact O-CB 3.34Å; L68-R72 PolarHBondContact O-N 3.33Å; K70-R72 PolarHBondContact O-N 3.26Å; R72-I75 VanDerWaalsContact O-O 3.1Å; R72-R80 VanDerWaalsContact O-CZ 3.23Å; R72-R80 PolarHBondContact O-NE 2.59Å; R72-R80 PolarHBondContact O-NH2 2.67Å
73	K	97.1	Very high	97.8	Very high	153 Å²	153	51.9 Å²	51.9	67%	0.665	24%	0.237	S	C	*	.	H	α-helix	trans	-75.1	-31.1	178.9	-62	-179.6	-178.6	-171.9	0	111.9	K70 L71 N99	K70-K73 WeakPolarHBondContact O-CA 3.4Å; K70-K73 WeakPolarHBondContact O-CB 3.23Å; K70-K73 PolarHBondContact O-N 3.35Å; L71-K73 VanDerWaalsContact C-N 3.28Å; L71-K73 PolarHBondContact O-N 2.83Å; K73-N99 PolarHBondContact O-ND2 3.46Å
74	D	97.9	Very high	97.9	Very high	22 Å²	22	51.9 Å²	51.9	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-79	-20.6	174.1	-76.6	-61.2	0	0	0	113.7	K70 L71 S98 N99 R107 I109 L121	K70-D74 PolarHBondContact O-N 3.27Å; K70-D74 VanDerWaalsContact O-N 3.11Å; L71-D74 PolarHBondContact O-N 3.43Å; L71-D74 VanDerWaalsContact O-N 3.17Å; D74-S98 CarbonylContact O-C 3.48Å; D74-S98 VanDerWaalsContact O-CA 3.26Å; D74-S98 WeakPolarHBondContact O-CA 3.3Å; D74-S98 WeakPolarHBondContact O-CB 3.2Å; D74-N99 PolarHBondContact O-N 3.39Å; D74-N99 PolarHBondContact O-ND2 3.43Å; D74-R107 VanDerWaalsContact OD1-CD 3.27Å; D74-R107 WeakPolarHBondContact OD1-CD 3.35Å; D74-I109 WeakPolarHBondContact OD2-CD1 3.35Å; D74-L121 HydrophobicContact CB-CD1 4.07Å; D74-L121 HydrophobicContact CB-CD2 4.03Å
75	I	98.5	Very high	97.9	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-82.6	135.1	169.3	-64.8	169	0	0	0	110.5	F7 L71 R72 R80 F83 V96 M125 V155	F7-I75 HydrophobicContact CE2-CD1 4.46Å; F7-I75 HydrophobicContact CZ-CD1 3.99Å; L71-I75 HydrophobicContact CG-CD1 4.37Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 3.11Å; R72-I75 VanDerWaalsContact O-O 3.1Å; I75-R80 HydrophobicContact CB-CG 4.35Å; I75-R80 HydrophobicContact CG2-CG 3.85Å; I75-R80 PolarHBondContact O-NE 3.31Å; I75-R80 PolarHBondContact O-NH2 3.23Å; I75-F83 HydrophobicContact CD1-CB 4.45Å; I75-F83 HydrophobicContact CD1-CD1 3.64Å; I75-F83 HydrophobicContact CD1-CD2 4.29Å; I75-F83 HydrophobicContact CD1-CE1 3.84Å; I75-F83 HydrophobicContact CD1-CE2 4.45Å; I75-F83 HydrophobicContact CD1-CG 3.88Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; I75-V96 HydrophobicContact CD1-CG1 4.38Å; I75-V96 HydrophobicContact CG1-CG1 4.5Å; I75-V96 HydrophobicContact CG2-CG1 3.93Å; I75-M125 HydrophobicContact CD1-CE 3.98Å; I75-M125 HydrophobicContact CG1-CE 4.46Å; I75-V155 HydrophobicContact CG1-CG2 4.2Å
76	R	98.4	Very high	97.9	Very high	82 Å²	82	53.7 Å²	53.7	31%	0.309	25%	0.247	S	C	.	.			trans	-58.9	132	173.9	-85.2	173.8	63.3	172.5	0.3	110.6	E78 Y79 L97 N99	R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE1 3.95Å; R76-E78 IonicContact NE-OE1 2.82Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 2.81Å; R76-E78 PolarHBondContact NH2-OE1 2.85Å; R76-E78 PolarHBondContact O-N 3.12Å; R76-E78 VanDerWaalsContact O-N 3.14Å; R76-Y79 HydrophobicContact CB-CD2 3.75Å; R76-Y79 HydrophobicContact CB-CE2 4.41Å; R76-Y79 PolarHBondContact O-N 3.08Å; R76-L97 PolarHBondContact N-O 3.23Å; R76-L97 VanDerWaalsContact N-O 3.11Å; R76-N99 WeakPolarHBondContact CG-OD1 3.28Å
77	P	98.2	Very high	98	Very high	75 Å²	75	47 Å²	47	49%	0.487	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-44.6	-48.3	-171.7	-29.4	33.3	0	0	0	115.9	Y79 R80	P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 PolarHBondContact O-N 3.42Å; P77-R80 WeakPolarHBondContact O-CB 3.04Å; P77-R80 WeakPolarHBondContact O-CG 3.49Å; P77-R80 PolarHBondContact O-N 3.35Å; P77-R80 VanDerWaalsContact O-N 3.16Å
78	E	98.1	Very high	97.9	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-67.4	-17.6	-176.7	65.9	-83.7	-154.8	0	0	114.3	R76	R76-E78 VanDerWaalsContact C-N 3.3Å; R76-E78 IonicContact CZ-OE1 3.95Å; R76-E78 IonicContact NE-OE1 2.82Å; R76-E78 PolarHBondContact NE-OE1 3.22Å; R76-E78 IonicContact NH2-OE1 2.81Å; R76-E78 PolarHBondContact NH2-OE1 2.85Å; R76-E78 PolarHBondContact O-N 3.12Å; R76-E78 VanDerWaalsContact O-N 3.14Å
79	Y	98.4	Very high	97.8	Very high	59 Å²	59	51.5 Å²	51.5	23%	0.231	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-99.6	0.1	175	-64.3	-84.1	0	0	0	113.4	R76 P77 F83 C95 L97	R76-Y79 HydrophobicContact CB-CD2 3.75Å; R76-Y79 HydrophobicContact CB-CE2 4.41Å; R76-Y79 PolarHBondContact O-N 3.08Å; P77-Y79 VanDerWaalsContact C-N 3.26Å; P77-Y79 PolarHBondContact O-N 3.42Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.82Å; Y79-C95 WeakPolarHBondContact CD1-O 3.42Å; Y79-C95 WeakPolarHBondContact CE1-O 3.23Å; Y79-L97 HydrophobicContact CD2-CB 3.97Å; Y79-L97 HydrophobicContact CD2-CG 4.3Å; Y79-L97 HydrophobicContact CE1-CD1 4.49Å; Y79-L97 HydrophobicContact CE1-CG 4.08Å; Y79-L97 HydrophobicContact CE2-CB 3.85Å; Y79-L97 HydrophobicContact CE2-CD1 3.87Å; Y79-L97 HydrophobicContact CE2-CG 3.82Å; Y79-L97 HydrophobicContact CG-CB 4.45Å; Y79-L97 WeakPolarHBondContact OH-CD1 3.42Å
80	R	98.3	Very high	97.8	Very high	47 Å²	47	57.9 Å²	57.9	18%	0.177	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-39.1	-175.9	-69.2	175.8	-179.2	141.2	10.6	112.9	F7 R72 I75 P77 V84	F7-R80 HydrophobicContact CD2-CB 4.02Å; F7-R80 HydrophobicContact CE2-CB 4.03Å; F7-R80 HydrophobicContact CE2-CG 4.29Å; R72-R80 VanDerWaalsContact O-CZ 3.23Å; R72-R80 PolarHBondContact O-NE 2.59Å; R72-R80 PolarHBondContact O-NH2 2.67Å; I75-R80 HydrophobicContact CB-CG 4.35Å; I75-R80 HydrophobicContact CG2-CG 3.85Å; I75-R80 PolarHBondContact O-NE 3.31Å; I75-R80 PolarHBondContact O-NH2 3.23Å; P77-R80 WeakPolarHBondContact O-CB 3.04Å; P77-R80 WeakPolarHBondContact O-CG 3.49Å; P77-R80 PolarHBondContact O-N 3.35Å; P77-R80 VanDerWaalsContact O-N 3.16Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 3.42Å
81	E	98.1	Very high	97.8	Very high	139 Å²	139	58.3 Å²	58.3	65%	0.65	29%	0.288	S	S	*	.	H	α-helix	trans	-69.4	-48.1	176.5	-176.7	170.6	-170.9	0	0	110.7	F83 V84 L85	E81-F83 PolarHBondContact O-N 2.67Å; E81-V84 PolarHBondContact O-N 3.33Å; E81-L85 HydrophobicContact CG-CD1 3.88Å; E81-L85 HydrophobicContact CG-CG 4.2Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 3.16Å
82	D	98.2	Very high	97.7	Very high	34 Å²	34	63.3 Å²	63.3	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-54.9	-38.2	173.7	-95.1	25.8	0	0	0	112.9	T86 K91 C94 V96	D82-T86 VanDerWaalsContact O-CB 3.32Å; D82-T86 WeakPolarHBondContact O-CB 3.03Å; D82-T86 VanDerWaalsContact O-CG2 3.23Å; D82-T86 WeakPolarHBondContact O-CG2 3.41Å; D82-T86 PolarHBondContact O-N 2.94Å; D82-T86 PolarHBondContact O-OG1 3.13Å; D82-K91 IonicContact OD1-NZ 3.64Å; D82-K91 PolarHBondContact OD1-NZ 3.31Å; D82-K91 IonicContact OD2-NZ 3.59Å; D82-K91 PolarHBondContact OD2-NZ 3.43Å; D82-C94 PolarHBondContact OD2-SG 2.8Å; D82-V96 HydrophobicContact CB-CG2 4.43Å
83	F	98.5	Very high	97.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-46.5	173.3	-172.3	-114	0	0	0	112.6	F7 L11 L71 I75 Y79 E81 V87 V96 M125 F129 P157	F7-F83 AromaticContact CE2-CD1 3.75Å; F7-F83 HydrophobicContact CE2-CD1 3.75Å; F7-F83 AromaticContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CD1 3.67Å; F7-F83 HydrophobicContact CZ-CE1 4.02Å; L11-F83 HydrophobicContact CD1-CD1 3.7Å; L11-F83 HydrophobicContact CD1-CE1 3.59Å; L11-F83 HydrophobicContact CD2-CD1 4.4Å; L11-F83 HydrophobicContact CD2-CE1 4.27Å; L71-F83 HydrophobicContact CD2-CE1 4.29Å; L71-F83 HydrophobicContact CD2-CZ 4.38Å; I75-F83 HydrophobicContact CD1-CB 4.45Å; I75-F83 HydrophobicContact CD1-CD1 3.64Å; I75-F83 HydrophobicContact CD1-CD2 4.29Å; I75-F83 HydrophobicContact CD1-CE1 3.84Å; I75-F83 HydrophobicContact CD1-CE2 4.45Å; I75-F83 HydrophobicContact CD1-CG 3.88Å; I75-F83 HydrophobicContact CD1-CZ 4.25Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.82Å; E81-F83 PolarHBondContact O-N 2.67Å; F83-V87 HydrophobicContact CD2-CG2 4.1Å; F83-V87 HydrophobicContact CE2-CG2 3.89Å; F83-V87 HydrophobicContact CZ-CG2 4.1Å; F83-V87 VanDerWaalsContact O-CB 3.3Å; F83-V87 WeakPolarHBondContact O-CB 3.45Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.5Å; F83-V96 HydrophobicContact CB-CB 4.46Å; F83-V96 HydrophobicContact CB-CG1 3.78Å; F83-V96 HydrophobicContact CB-CG2 3.89Å; F83-V96 HydrophobicContact CD2-CB 4.2Å; F83-V96 HydrophobicContact CD2-CG1 3.75Å; F83-V96 HydrophobicContact CD2-CG2 4.08Å; F83-V96 HydrophobicContact CG-CG1 4.04Å; F83-V96 HydrophobicContact CG-CG2 4.5Å; F83-M125 HydrophobicContact CE1-CE 4.28Å; F83-M125 HydrophobicContact CE2-CE 3.62Å; F83-M125 HydrophobicContact CE2-SD 3.91Å; F83-M125 HydrophobicContact CZ-CE 3.45Å; F83-M125 VanDerWaalsContact CZ-CE 3.45Å; F83-M125 HydrophobicContact CZ-SD 3.54Å; F83-M125 VanDerWaalsContact CZ-SD 3.54Å; F83-F129 HydrophobicContact CE1-CE2 4.38Å; F83-F129 HydrophobicContact CE1-CZ 4.25Å; F83-F129 HydrophobicContact CZ-CD2 4.48Å; F83-F129 AromaticContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CZ 4.04Å; F83-P157 HydrophobicContact CE2-CG 4.47Å
84	V	98.4	Very high	97.6	Very high	23 Å²	23	57.2 Å²	57.2	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-51.3	175.7	173.7	0	0	0	0	110.6	F7 A10 L11 R80 E81 T86 V87 T88	F7-V84 HydrophobicContact CB-CG2 4.47Å; F7-V84 HydrophobicContact CD2-CG2 3.55Å; F7-V84 HydrophobicContact CE2-CG2 4.06Å; F7-V84 HydrophobicContact CG-CG2 4.19Å; A10-V84 HydrophobicContact CB-CG1 3.57Å; L11-V84 HydrophobicContact CD1-CG2 4.14Å; L11-V84 HydrophobicContact CD2-CG2 4.48Å; L11-V84 HydrophobicContact CG-CG2 4.11Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 3.42Å; E81-V84 PolarHBondContact O-N 3.33Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.31Å; V84-V87 PolarHBondContact O-N 3.3Å; V84-T88 HydrophobicContact CG1-CG2 4.24Å; V84-T88 VanDerWaalsContact O-CB 3.31Å; V84-T88 WeakPolarHBondContact O-CB 3.5Å; V84-T88 VanDerWaalsContact O-CG2 3.23Å; V84-T88 WeakPolarHBondContact O-CG2 3.47Å; V84-T88 PolarHBondContact O-N 2.89Å; V84-T88 PolarHBondContact O-OG1 3.11Å
85	L	98.3	Very high	97.6	Very high	51 Å²	51	57 Å²	57	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-38.1	-177	-66	176.4	0	0	0	112.4	E81 T88 G89 K90 K91	E81-L85 HydrophobicContact CG-CD1 3.88Å; E81-L85 HydrophobicContact CG-CG 4.2Å; E81-L85 WeakPolarHBondContact O-CG 3.3Å; E81-L85 PolarHBondContact O-N 3.16Å; L85-T88 WeakPolarHBondContact CA-OG1 3.32Å; L85-T88 PolarHBondContact O-OG1 2.99Å; L85-G89 PolarHBondContact O-N 3.15Å; L85-K90 HydrophobicContact CB-CB 4.45Å; L85-K90 HydrophobicContact CD2-CB 3.99Å; L85-K90 HydrophobicContact CD2-CD 4.18Å; L85-K90 WeakPolarHBondContact O-CA 3.44Å; L85-K90 PolarHBondContact O-N 2.68Å; L85-K91 HydrophobicContact CB-CB 3.67Å; L85-K91 HydrophobicContact CB-CD 4.47Å; L85-K91 HydrophobicContact CD1-CD 4.5Å; L85-K91 PolarHBondContact O-N 2.87Å
86	T	97.8	Very high	97.6	Very high	2 Å²	2	57 Å²	57	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-84.5	-24.2	-179.3	61.3	0	0	0	0	114.3	D82 V84 K91 P92 Q156 H158	D82-T86 VanDerWaalsContact O-CB 3.32Å; D82-T86 WeakPolarHBondContact O-CB 3.03Å; D82-T86 VanDerWaalsContact O-CG2 3.23Å; D82-T86 WeakPolarHBondContact O-CG2 3.41Å; D82-T86 PolarHBondContact O-N 2.94Å; D82-T86 PolarHBondContact O-OG1 3.13Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.31Å; T86-K91 WeakPolarHBondContact CA-O 3.45Å; T86-K91 HydrophobicContact CG2-CB 3.81Å; T86-K91 HydrophobicContact CG2-CD 4.11Å; T86-K91 HydrophobicContact CG2-CG 4Å; T86-K91 WeakPolarHBondContact CG2-O 3.42Å; T86-P92 VanDerWaalsContact CG2-O 3.3Å; T86-P92 WeakPolarHBondContact CG2-O 3.25Å; T86-Q156 PolarHBondContact OG1-NE2 3.45Å; T86-Q156 PolarHBondContact OG1-OE1 2.97Å; T86-H158 PolarHBondContact O-CE1 3.43Å; T86-H158 VanDerWaalsContact O-CE1 3.22Å
87	V	97.4	Very high	97.6	Very high	17 Å²	17	53.2 Å²	53.2	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-77.9	-33.8	170.1	171.7	0	0	0	0	111.4	L11 H14 F83 V84 G89 F129 P157	L11-V87 HydrophobicContact CD2-CB 3.75Å; L11-V87 HydrophobicContact CD2-CG1 3.62Å; L11-V87 HydrophobicContact CD2-CG2 4.34Å; H14-V87 HydrophobicContact CB-CG1 3.68Å; H14-V87 PolarHBondContact ND1-O 2.85Å; F83-V87 HydrophobicContact CD2-CG2 4.1Å; F83-V87 HydrophobicContact CE2-CG2 3.89Å; F83-V87 HydrophobicContact CZ-CG2 4.1Å; F83-V87 VanDerWaalsContact O-CB 3.3Å; F83-V87 WeakPolarHBondContact O-CB 3.45Å; F83-V87 VanDerWaalsContact O-CG2 3.26Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.5Å; V84-V87 PolarHBondContact O-N 3.3Å; V87-G89 VanDerWaalsContact C-N 3.25Å; V87-G89 PolarHBondContact O-N 2.83Å; V87-F129 HydrophobicContact CG1-CD1 3.69Å; V87-F129 HydrophobicContact CG1-CE1 3.78Å; V87-F129 HydrophobicContact CG1-CG 4.49Å; V87-P157 HydrophobicContact CG2-CG 4.49Å
88	T	96.3	Very high	97.6	Very high	31 Å²	31	49.7 Å²	49.7	19%	0.19	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.7	174	58.7	0	0	0	0	113.9	A10 V84 L85 K90	A10-T88 WeakPolarHBondContact O-CG2 3.23Å; V84-T88 HydrophobicContact CG1-CG2 4.24Å; V84-T88 VanDerWaalsContact O-CB 3.31Å; V84-T88 WeakPolarHBondContact O-CB 3.5Å; V84-T88 VanDerWaalsContact O-CG2 3.23Å; V84-T88 WeakPolarHBondContact O-CG2 3.47Å; V84-T88 PolarHBondContact O-N 2.89Å; V84-T88 PolarHBondContact O-OG1 3.11Å; L85-T88 WeakPolarHBondContact CA-OG1 3.32Å; L85-T88 PolarHBondContact O-OG1 2.99Å; T88-K90 PolarHBondContact O-N 3.23Å
89	G	95.8	Very high	97.6	Very high	65 Å²	65	46.6 Å²	46.6	67%	0.67	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	3.4	179.7	0	0	0	0	0	115.5	L85 V87 K91	L85-G89 PolarHBondContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.25Å; V87-G89 PolarHBondContact O-N 2.83Å; G89-K91 VanDerWaalsContact C-N 3.34Å
90	K	97.1	Very high	97.6	Very high	168 Å²	168	46.2 Å²	46.2	73%	0.73	26%	0.261	S	S	*	.	S	Bend	trans	-76.5	-15	-179.7	-63	178.8	179.7	-179.2	0	114.1	L85 T88	L85-K90 HydrophobicContact CB-CB 4.45Å; L85-K90 HydrophobicContact CD2-CB 3.99Å; L85-K90 HydrophobicContact CD2-CD 4.18Å; L85-K90 WeakPolarHBondContact O-CA 3.44Å; L85-K90 PolarHBondContact O-N 2.68Å; T88-K90 PolarHBondContact O-N 3.23Å
91	K	96.9	Very high	97.5	Very high	74 Å²	74	46.7 Å²	46.7	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-136.4	141.9	176.2	-173.7	-177.8	-169.8	178.8	0	109.8	D82 L85 T86 G89	D82-K91 IonicContact OD1-NZ 3.64Å; D82-K91 PolarHBondContact OD1-NZ 3.31Å; D82-K91 IonicContact OD2-NZ 3.59Å; D82-K91 PolarHBondContact OD2-NZ 3.43Å; L85-K91 HydrophobicContact CB-CB 3.67Å; L85-K91 HydrophobicContact CB-CD 4.47Å; L85-K91 HydrophobicContact CD1-CD 4.5Å; L85-K91 PolarHBondContact O-N 2.87Å; T86-K91 WeakPolarHBondContact CA-O 3.45Å; T86-K91 HydrophobicContact CG2-CB 3.81Å; T86-K91 HydrophobicContact CG2-CD 4.11Å; T86-K91 HydrophobicContact CG2-CG 4Å; T86-K91 WeakPolarHBondContact CG2-O 3.42Å; G89-K91 VanDerWaalsContact C-N 3.34Å
92	P	97	Very high	97.4	Very high	105 Å²	105	49.7 Å²	49.7	68%	0.682	28%	0.281	S	S	*	.			trans	-61	146.6	172.2	25.5	-35.3	0	0	0	111.4	T86 C94	T86-P92 VanDerWaalsContact CG2-O 3.3Å; T86-P92 WeakPolarHBondContact CG2-O 3.25Å; P92-C94 PolarHBondContact O-N 3.16Å
93	P	95.4	Very high	97.3	Very high	68 Å²	68	56.3 Å²	56.3	44%	0.442	31%	0.308	S	S	.	.			trans	-52.7	130.7	-176.4	-30.6	37.2	0	0	0	115	H158	P93-H158 HydrophobicContact CB-CB 3.73Å; P93-H158 HydrophobicContact CG-CB 3.72Å
94	C	96.9	Very high	97.2	Very high	30 Å²	30	58.6 Å²	58.6	20%	0.203	33%	0.332	C	S	.	.			trans	-132.2	168.2	174.3	62.4	0	0	0	0	110.6	D82 P92 V96 Q156	D82-C94 PolarHBondContact OD2-SG 2.8Å; P92-C94 PolarHBondContact O-N 3.16Å; C94-V96 PolarHBondContact O-N 3.07Å; C94-Q156 WeakPolarHBondContact O-CG 3.28Å
95	C	98.3	Very high	97	Very high	19 Å²	19	64.2 Å²	64.2	13%	0.128	36%	0.355	C	S	.	.			trans	-69.4	118.8	175.1	-79.9	0	0	0	0	111.2	Y79 L97 H159	Y79-C95 WeakPolarHBondContact CD1-O 3.42Å; Y79-C95 WeakPolarHBondContact CE1-O 3.23Å; C95-L97 HydrophobicContact CB-CD2 4.24Å; C95-H159 PolarHBondContact N-CE1 3.25Å; C95-H159 PolarHBondContact SG-ND1 2.86Å
96	V	98.5	Very high	97	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.347	C	S	.	.			trans	-104.4	120.4	169.1	170.6	0	0	0	0	108.1	I75 D82 F83 C94 C154 V155 Q156	I75-V96 HydrophobicContact CD1-CG1 4.38Å; I75-V96 HydrophobicContact CG1-CG1 4.5Å; I75-V96 HydrophobicContact CG2-CG1 3.93Å; D82-V96 HydrophobicContact CB-CG2 4.43Å; F83-V96 HydrophobicContact CB-CB 4.46Å; F83-V96 HydrophobicContact CB-CG1 3.78Å; F83-V96 HydrophobicContact CB-CG2 3.89Å; F83-V96 HydrophobicContact CD2-CB 4.2Å; F83-V96 HydrophobicContact CD2-CG1 3.75Å; F83-V96 HydrophobicContact CD2-CG2 4.08Å; F83-V96 HydrophobicContact CG-CG1 4.04Å; F83-V96 HydrophobicContact CG-CG2 4.5Å; C94-V96 PolarHBondContact O-N 3.07Å; V96-C154 WeakPolarHBondContact O-CA 3.38Å; V96-V155 HydrophobicContact CB-CG2 4.46Å; V96-V155 HydrophobicContact CG1-CG2 3.87Å; V96-V155 WeakPolarHBondContact O-CG2 3.26Å; V96-V155 PolarHBondContact O-N 3.38Å; V96-Q156 HydrophobicContact CB-CB 4.22Å; V96-Q156 HydrophobicContact CG2-CB 4.43Å
97	L	98.6	Very high	96.9	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-100.2	136.6	-173	-53.8	-171.1	0	0	0	112.8	R76 Y79 C95 N150 C154	R76-L97 PolarHBondContact N-O 3.23Å; R76-L97 VanDerWaalsContact N-O 3.11Å; Y79-L97 HydrophobicContact CD2-CB 3.97Å; Y79-L97 HydrophobicContact CD2-CG 4.3Å; Y79-L97 HydrophobicContact CE1-CD1 4.49Å; Y79-L97 HydrophobicContact CE1-CG 4.08Å; Y79-L97 HydrophobicContact CE2-CB 3.85Å; Y79-L97 HydrophobicContact CE2-CD1 3.87Å; Y79-L97 HydrophobicContact CE2-CG 3.82Å; Y79-L97 HydrophobicContact CG-CB 4.45Å; Y79-L97 WeakPolarHBondContact OH-CD1 3.42Å; C95-L97 HydrophobicContact CB-CD2 4.24Å; L97-N150 HydrophobicContact CD2-CB 3.46Å; L97-N150 VanDerWaalsContact CD2-CB 3.46Å; L97-C154 HydrophobicContact CD2-CB 4.19Å
98	S	98.3	Very high	96.8	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-76.8	161.7	166.4	81.8	0	0	0	0	111.7	D74 L153	D74-S98 CarbonylContact O-C 3.48Å; D74-S98 VanDerWaalsContact O-CA 3.26Å; D74-S98 WeakPolarHBondContact O-CA 3.3Å; D74-S98 WeakPolarHBondContact O-CB 3.2Å; S98-L153 PolarHBondContact N-O 2.96Å
99	N	98.1	Very high	96.8	Very high	43 Å²	43	73.8 Å²	73.8	23%	0.23	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-63.5	135.6	157.7	-67.3	-47.3	0	0	0	108.7	K73 D74 R76 R107	K73-N99 PolarHBondContact O-ND2 3.46Å; D74-N99 PolarHBondContact O-N 3.39Å; D74-N99 PolarHBondContact O-ND2 3.43Å; R76-N99 WeakPolarHBondContact CG-OD1 3.28Å; N99-R107 WeakPolarHBondContact O-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CG 3.24Å; N99-R107 PolarHBondContact O-NE 3.2Å
100	P	97.3	Very high	96.8	Very high	51 Å²	51	74.2 Å²	74.2	33%	0.331	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-74.4	155.9	175.6	29.6	-34.3	0	0	0	111.8	K105 R107 L153	P100-K105 CarbonylContact C-O 3.59Å; P100-K105 WeakPolarHBondContact CA-O 3.37Å; P100-R107 VanDerWaalsContact O-CZ 3.26Å; P100-R107 PolarHBondContact O-NE 2.89Å; P100-R107 PolarHBondContact O-NH2 3.27Å; P100-L153 HydrophobicContact CB-CD1 4.22Å; P100-L153 HydrophobicContact CB-CD2 4Å
101	D	96.4	Very high	96.8	Very high	56 Å²	56	66.3 Å²	66.3	30%	0.299	34%	0.336	S	S	.	.			trans	-71.3	-178.9	164.7	78.9	-4.2	0	0	0	111.6	K103 G104 K105 R107	D101-K103 PolarHBondContact O-N 3.12Å; D101-K103 VanDerWaalsContact OD1-C 3.27Å; D101-K103 VanDerWaalsContact OD1-CA 3.29Å; D101-K103 WeakPolarHBondContact OD1-CA 2.98Å; D101-K103 WeakPolarHBondContact OD1-CB 3.27Å; D101-K103 PolarHBondContact OD1-N 2.83Å; D101-G104 PolarHBondContact O-N 3.15Å; D101-G104 VanDerWaalsContact O-N 3.11Å; D101-G104 PolarHBondContact OD1-N 3.03Å; D101-G104 VanDerWaalsContact OD1-N 3.12Å; D101-K105 PolarHBondContact N-O 2.81Å; D101-K105 PolarHBondContact OD1-N 2.8Å; D101-R107 HydrophobicContact CB-CG 4.04Å
102	Q	95.6	Very high	96.7	Very high	203 Å²	203	64 Å²	64	95%	0.949	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.7	178.4	-67.3	174.2	-15.3	0	0	114.1
103	K	96.3	Very high	96.2	Very high	172 Å²	172	69.7 Å²	69.7	75%	0.748	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	13.8	-179.6	-59.1	-174.1	177.9	-173.9	0	112.2	D101 K105	D101-K103 PolarHBondContact O-N 3.12Å; D101-K103 VanDerWaalsContact OD1-C 3.27Å; D101-K103 VanDerWaalsContact OD1-CA 3.29Å; D101-K103 WeakPolarHBondContact OD1-CA 2.98Å; D101-K103 WeakPolarHBondContact OD1-CB 3.27Å; D101-K103 PolarHBondContact OD1-N 2.83Å; K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.83Å
104	G	96.3	Very high	95.3	Very high	49 Å²	49	76 Å²	76	51%	0.505	36%	0.358	S	S	.	.	S	Bend	trans	78	6.6	-180	0	0	0	0	0	115	D101	D101-G104 PolarHBondContact O-N 3.15Å; D101-G104 VanDerWaalsContact O-N 3.11Å; D101-G104 PolarHBondContact OD1-N 3.03Å; D101-G104 VanDerWaalsContact OD1-N 3.12Å
105	K	95.5	Very high	94.6	Very high	141 Å²	141	75.7 Å²	75.7	61%	0.613	36%	0.358	S	S	*	.	S	Bend	trans	-103.3	165.8	-169.8	-61.2	-171	-179.9	-171.6	0	112.8	P100 D101 K103 R107	P100-K105 CarbonylContact C-O 3.59Å; P100-K105 WeakPolarHBondContact CA-O 3.37Å; D101-K105 PolarHBondContact N-O 2.81Å; D101-K105 PolarHBondContact OD1-N 2.8Å; K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.83Å; K105-R107 PolarHBondContact O-N 3.37Å
106	M	96.7	Very high	93.4	Very high	21 Å²	21	80.6 Å²	80.6	10%	0.103	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-50.4	121.2	172.3	-173.9	65.9	76.7	0	0	111.6	R120 L121 L153 C154 V155	M106-R120 HydrophobicContact CB-CG 4.46Å; M106-R120 HydrophobicContact CG-CG 3.88Å; M106-L121 HydrophobicContact CG-CB 4.23Å; M106-L121 HydrophobicContact SD-CB 3.79Å; M106-L121 HydrophobicContact SD-CD1 4.01Å; M106-L153 VanDerWaalsContact CE-C 3.49Å; M106-C154 WeakPolarHBondContact CE-O 3.45Å; M106-V155 HydrophobicContact CE-CG1 3.65Å; M106-V155 HydrophobicContact SD-CG1 3.43Å; M106-V155 WeakPolarHBondContact SD-CG1 3.37Å
107	R	96.4	Very high	93	Very high	99 Å²	99	83.6 Å²	83.6	37%	0.374	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-63.9	164	177.9	-78.6	-178.7	-178.2	-135.8	-6.8	113	D74 N99 P100 D101 K105 L121	D74-R107 VanDerWaalsContact OD1-CD 3.27Å; D74-R107 WeakPolarHBondContact OD1-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CD 3.35Å; N99-R107 WeakPolarHBondContact O-CG 3.24Å; N99-R107 PolarHBondContact O-NE 3.2Å; P100-R107 VanDerWaalsContact O-CZ 3.26Å; P100-R107 PolarHBondContact O-NE 2.89Å; P100-R107 PolarHBondContact O-NH2 3.27Å; D101-R107 HydrophobicContact CB-CG 4.04Å; K105-R107 PolarHBondContact O-N 3.37Å; R107-L121 HydrophobicContact CB-CD1 3.76Å; R107-L121 HydrophobicContact CB-CG 4.47Å; R107-L121 WeakPolarHBondContact O-CG 3.3Å; R107-L121 PolarHBondContact O-N 2.84Å
108	R	95.9	Very high	92.8	Very high	175 Å²	175	86.2 Å²	86.2	66%	0.66	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.7	167.1	-56.8	-175.9	179.5	-174.2	-1.6	109.5	V118 W119	R108-V118 VanDerWaalsContact C-CG1 3.44Å; R108-V118 HydrophobicContact CB-CB 3.94Å; R108-V118 HydrophobicContact CB-CG1 3.46Å; R108-V118 VanDerWaalsContact CB-CG1 3.46Å; R108-W119 CarbonylContact C-O 3.5Å; R108-W119 WeakPolarHBondContact CA-O 3.39Å; R108-W119 WeakPolarHBondContact CB-O 3.26Å
109	I	95.9	Very high	92.8	Very high	6 Å²	6	86.5 Å²	86.5	3%	0.031	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140	-177.9	-166.3	175.4	0	0	0	110.9	L67 K70 L71 D74 C111 V118 W119 L121 V124	L67-I109 HydrophobicContact CD1-CD1 4.07Å; K70-I109 HydrophobicContact CB-CD1 3.79Å; K70-I109 HydrophobicContact CB-CG1 4.37Å; L71-I109 HydrophobicContact CD1-CD1 4.33Å; D74-I109 WeakPolarHBondContact OD2-CD1 3.35Å; I109-C111 PolarHBondContact O-N 2.71Å; I109-V118 VanDerWaalsContact C-CG1 3.46Å; I109-W119 PolarHBondContact N-O 3.43Å; I109-W119 PolarHBondContact O-N 2.7Å; I109-L121 HydrophobicContact CB-CD2 3.95Å; I109-L121 HydrophobicContact CD1-CD2 4.22Å; I109-L121 HydrophobicContact CG2-CD2 3.8Å; I109-V124 HydrophobicContact CG2-CB 4.41Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; I109-V124 HydrophobicContact CG2-CG2 3.81Å
110	D	95.2	Very high	92.7	Very high	75 Å²	75	87.7 Å²	87.7	40%	0.401	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.7	171.3	-65.5	-51.3	0	0	0	110	K70	K70-D110 PolarHBondContact NZ-O 3.19Å
111	C	97.1	Very high	92.8	Very high	2 Å²	2	85.4 Å²	85.4	1%	0.014	40%	0.399	C	S	.	.	S	Bend	trans	-78.4	-27.9	180	-66.8	0	0	0	0	112.6	F23 W63 L67 I109 V124	F23-C111 HydrophobicContact CD1-CB 3.91Å; F23-C111 HydrophobicContact CD2-CB 4.28Å; F23-C111 HydrophobicContact CE1-CB 4.14Å; F23-C111 HydrophobicContact CE2-CB 4.48Å; F23-C111 HydrophobicContact CG-CB 4Å; F23-C111 HydrophobicContact CZ-CB 4.41Å; W63-C111 PolarHBondContact NE1-O 2.86Å; L67-C111 HydrophobicContact CD2-CB 4.39Å; I109-C111 PolarHBondContact O-N 2.71Å; C111-V124 VanDerWaalsContact SG-CG2 3.52Å
112	L	94.6	Very high	92.8	Very high	25 Å²	25	83 Å²	83	13%	0.131	39%	0.387	C	S	.	.	S	Bend	trans	-129.4	150.9	-178.1	-65.9	167.5	0	0	0	109.9	F23 N24 A27 A115	F23-L112 HydrophobicContact CB-CD1 4.29Å; F23-L112 WeakPolarHBondContact O-CD1 3.24Å; N24-L112 WeakPolarHBondContact OD1-CD2 3.43Å; A27-L112 HydrophobicContact CB-CD1 3.69Å; L112-A115 HydrophobicContact CB-CB 3.87Å
113	R	85.9	Confident	93	Very high	225 Å²	225	73.6 Å²	73.6	85%	0.849	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	149.3	167.8	-64.6	-172.5	72.5	117	0.3	108.7	A115	R113-A115 PolarHBondContact O-N 3.1Å
114	Q	78.4	Confident	93.1	Very high	200 Å²	200	65.4 Å²	65.4	94%	0.935	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	28.7	178.8	-57.1	170.6	-33.8	0	0	114.4
115	A	81.3	Confident	93.1	Very high	23 Å²	23	63 Å²	63	19%	0.19	28%	0.283	C	S	.	.			trans	-113	125.1	174.3	0	0	0	0	0	110.5	L112 R113 K117	L112-A115 HydrophobicContact CB-CB 3.87Å; R113-A115 PolarHBondContact O-N 3.1Å; A115-K117 PolarHBondContact O-N 3.04Å
116	D	73.7	Confident	93.3	Very high	123 Å²	123	56.3 Å²	56.3	66%	0.658	25%	0.254	S	S	*	.	S	Bend	trans	-70.9	30.5	-176.7	-54.8	-13.5	0	0	0	114.2	K34	K34-D116 IonicContact NZ-OD2 2.64Å; K34-D116 PolarHBondContact NZ-OD2 2.88Å
117	K	90.6	Very high	93.3	Very high	62 Å²	62	55.3 Å²	55.3	27%	0.27	25%	0.249	S	C	.	.			trans	-148.7	109	-176.7	-168.5	81.2	-165.9	-132.7	0	113.3	A115 W119 S136	A115-K117 PolarHBondContact O-N 3.04Å; K117-W119 VanDerWaalsContact O-CD1 3.23Å; K117-S136 VanDerWaalsContact CE-OG 3.3Å; K117-S136 WeakPolarHBondContact CE-OG 3.42Å; K117-S136 PolarHBondContact NZ-OG 3.44Å
118	V	93.8	Very high	93.4	Very high	60 Å²	60	50.7 Å²	50.7	36%	0.364	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.5	165.9	-144.8	0	0	0	0	110.4	R108 I109	R108-V118 VanDerWaalsContact C-CG1 3.44Å; R108-V118 HydrophobicContact CB-CB 3.94Å; R108-V118 HydrophobicContact CB-CG1 3.46Å; R108-V118 VanDerWaalsContact CB-CG1 3.46Å; I109-V118 VanDerWaalsContact C-CG1 3.46Å
119	W	97.1	Very high	93.5	Very high	6 Å²	6	43 Å²	43	2%	0.023	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.9	-177.3	-68.5	71.4	0	0	0	112	F23 Q26 R108 I109 K117 V124 I127 S136	F23-W119 HydrophobicContact CD1-CD2 4.18Å; F23-W119 AromaticContact CD1-CE2 3.73Å; F23-W119 HydrophobicContact CD1-CH2 4.1Å; F23-W119 AromaticContact CD1-CZ2 3.7Å; F23-W119 HydrophobicContact CD1-CZ2 3.7Å; F23-W119 AromaticContact CE1-CD2 3.7Å; F23-W119 HydrophobicContact CE1-CD2 3.7Å; F23-W119 AromaticContact CE1-CE2 3.75Å; F23-W119 AromaticContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CE3 3.83Å; F23-W119 HydrophobicContact CE1-CG 4.24Å; F23-W119 HydrophobicContact CE1-CH2 4.05Å; F23-W119 AromaticContact CE1-CZ2 3.95Å; F23-W119 HydrophobicContact CE1-CZ2 3.95Å; F23-W119 AromaticContact CE1-CZ3 4Å; F23-W119 HydrophobicContact CE1-CZ3 4Å; Q26-W119 HydrophobicContact CB-CZ2 4.38Å; R108-W119 CarbonylContact C-O 3.5Å; R108-W119 WeakPolarHBondContact CA-O 3.39Å; R108-W119 WeakPolarHBondContact CB-O 3.26Å; I109-W119 PolarHBondContact N-O 3.43Å; I109-W119 PolarHBondContact O-N 2.7Å; K117-W119 VanDerWaalsContact O-CD1 3.23Å; W119-V124 HydrophobicContact CB-CG2 3.52Å; W119-V124 HydrophobicContact CG-CG2 4.37Å; W119-I127 HydrophobicContact CE3-CD1 4.16Å; W119-I127 HydrophobicContact CH2-CD1 4.5Å; W119-I127 HydrophobicContact CZ3-CD1 3.76Å; W119-S136 VanDerWaalsContact CZ3-CA 3.47Å; W119-S136 VanDerWaalsContact CZ3-N 3.32Å
120	R	97.2	Very high	93.5	Very high	68 Å²	68	46.2 Å²	46.2	26%	0.257	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.2	174.9	-162.3	178.8	70.4	-173.7	1.2	109.8	M106 D122 L123 V124 G139	M106-R120 HydrophobicContact CB-CG 4.46Å; M106-R120 HydrophobicContact CG-CG 3.88Å; R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 IonicContact CZ-OD1 3.12Å; R120-D122 VanDerWaalsContact CZ-OD1 3.23Å; R120-D122 IonicContact CZ-OD2 3.23Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.2Å; R120-D122 IonicContact NE-OD2 2.67Å; R120-D122 IonicContact NH2-OD1 2.67Å; R120-D122 PolarHBondContact NH2-OD1 3.49Å; R120-D122 IonicContact NH2-OD2 2.97Å; R120-D122 PolarHBondContact O-N 3.22Å; R120-L123 HydrophobicContact CB-CD1 4.16Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.94Å; R120-L123 VanDerWaalsContact O-N 3.16Å; R120-V124 PolarHBondContact O-N 3.29Å; R120-G139 VanDerWaalsContact CZ-O 3.29Å; R120-G139 PolarHBondContact NH1-O 3.3Å; R120-G139 PolarHBondContact NH2-O 2.86Å
121	L	98.3	Very high	93.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-54.5	-42	-169.8	-79	166.7	0	0	0	114.3	L71 D74 M106 R107 I109 L123 V124 M125 V155	L71-L121 HydrophobicContact CD1-CD2 3.82Å; D74-L121 HydrophobicContact CB-CD1 4.07Å; D74-L121 HydrophobicContact CB-CD2 4.03Å; M106-L121 HydrophobicContact CG-CB 4.23Å; M106-L121 HydrophobicContact SD-CB 3.79Å; M106-L121 HydrophobicContact SD-CD1 4.01Å; R107-L121 HydrophobicContact CB-CD1 3.76Å; R107-L121 HydrophobicContact CB-CG 4.47Å; R107-L121 WeakPolarHBondContact O-CG 3.3Å; R107-L121 PolarHBondContact O-N 2.84Å; I109-L121 HydrophobicContact CB-CD2 3.95Å; I109-L121 HydrophobicContact CD1-CD2 4.22Å; I109-L121 HydrophobicContact CG2-CD2 3.8Å; L121-L123 PolarHBondContact O-N 3.02Å; L121-V124 WeakPolarHBondContact O-CA 3.38Å; L121-V124 WeakPolarHBondContact O-CB 3.08Å; L121-V124 PolarHBondContact O-N 3.08Å; L121-V124 VanDerWaalsContact O-N 3.12Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.89Å; L121-V155 HydrophobicContact CB-CG1 3.86Å; L121-V155 HydrophobicContact CD1-CG1 4.31Å
122	D	98	Very high	93.5	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-69.7	-30.1	-178.7	53.2	17.6	0	0	0	114.6	R120 V124 M125 V126 L142 K144 I160	R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 IonicContact CZ-OD1 3.12Å; R120-D122 VanDerWaalsContact CZ-OD1 3.23Å; R120-D122 IonicContact CZ-OD2 3.23Å; R120-D122 IonicContact NE-OD1 2.76Å; R120-D122 PolarHBondContact NE-OD1 3.2Å; R120-D122 IonicContact NE-OD2 2.67Å; R120-D122 IonicContact NH2-OD1 2.67Å; R120-D122 PolarHBondContact NH2-OD1 3.49Å; R120-D122 IonicContact NH2-OD2 2.97Å; R120-D122 PolarHBondContact O-N 3.22Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-M125 PolarHBondContact O-N 2.81Å; D122-V126 WeakPolarHBondContact O-CG2 3.12Å; D122-V126 PolarHBondContact O-N 2.71Å; D122-L142 HydrophobicContact CB-CD1 3.96Å; D122-L142 WeakPolarHBondContact OD1-CD1 3.48Å; D122-K144 IonicContact OD2-NZ 3.23Å; D122-K144 PolarHBondContact OD2-NZ 3.24Å; D122-I160 HydrophobicContact CB-CD1 3.54Å; D122-I160 HydrophobicContact CB-CG1 4.22Å
123	L	98.1	Very high	93.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-45.4	166.9	-68.8	169.8	0	0	0	110.1	R120 L121 M125 V126 I127 L134 D138 L142	R120-L123 HydrophobicContact CB-CD1 4.16Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.94Å; R120-L123 VanDerWaalsContact O-N 3.16Å; L121-L123 PolarHBondContact O-N 3.02Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.75Å; L123-V126 PolarHBondContact O-N 3.38Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.25Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 2.94Å; L123-L134 HydrophobicContact CD2-CB 4.19Å; L123-L134 HydrophobicContact CD2-CD1 3.86Å; L123-D138 HydrophobicContact CD2-CB 4.38Å; L123-L142 HydrophobicContact CD2-CD1 3.71Å; L123-L142 HydrophobicContact CD2-CG 3.95Å; L123-L142 HydrophobicContact CG-CD1 4.01Å
124	V	98.4	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-39.3	178.5	-178.5	0	0	0	0	111.2	F23 L67 I109 C111 W119 R120 L121 D122 I127 L128	F23-V124 HydrophobicContact CZ-CB 4.44Å; F23-V124 HydrophobicContact CZ-CG1 4.19Å; F23-V124 HydrophobicContact CZ-CG2 4.21Å; L67-V124 HydrophobicContact CD2-CG1 4.4Å; I109-V124 HydrophobicContact CG2-CB 4.41Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; I109-V124 HydrophobicContact CG2-CG2 3.81Å; C111-V124 VanDerWaalsContact SG-CG2 3.52Å; W119-V124 HydrophobicContact CB-CG2 3.52Å; W119-V124 HydrophobicContact CG-CG2 4.37Å; R120-V124 PolarHBondContact O-N 3.29Å; L121-V124 WeakPolarHBondContact O-CA 3.38Å; L121-V124 WeakPolarHBondContact O-CB 3.08Å; L121-V124 PolarHBondContact O-N 3.08Å; L121-V124 VanDerWaalsContact O-N 3.12Å; D122-V124 VanDerWaalsContact C-N 3.32Å; V124-I127 PolarHBondContact O-N 2.82Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.07Å; V124-L128 VanDerWaalsContact O-CB 3.24Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.42Å
125	M	98.2	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-42	175.8	-67.5	-66.1	-158.4	0	0	113.1	L71 I75 F83 L121 D122 L123 F129 V155 P157 I160	L71-M125 HydrophobicContact CD1-CE 3.71Å; L71-M125 HydrophobicContact CD1-SD 4.17Å; L71-M125 HydrophobicContact CD2-CE 3.87Å; L71-M125 HydrophobicContact CD2-SD 3.89Å; L71-M125 HydrophobicContact CG-CE 3.9Å; L71-M125 HydrophobicContact CG-SD 4.46Å; I75-M125 HydrophobicContact CD1-CE 3.98Å; I75-M125 HydrophobicContact CG1-CE 4.46Å; F83-M125 HydrophobicContact CE1-CE 4.28Å; F83-M125 HydrophobicContact CE2-CE 3.62Å; F83-M125 HydrophobicContact CE2-SD 3.91Å; F83-M125 HydrophobicContact CZ-CE 3.45Å; F83-M125 VanDerWaalsContact CZ-CE 3.45Å; F83-M125 HydrophobicContact CZ-SD 3.54Å; F83-M125 VanDerWaalsContact CZ-SD 3.54Å; L121-M125 VanDerWaalsContact O-CG 3.28Å; L121-M125 WeakPolarHBondContact O-CG 3.47Å; L121-M125 PolarHBondContact O-N 2.89Å; D122-M125 PolarHBondContact O-N 2.81Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.75Å; M125-F129 WeakPolarHBondContact O-CD2 3.25Å; M125-F129 PolarHBondContact O-N 2.82Å; M125-F129 VanDerWaalsContact O-N 3.08Å; M125-F129 HydrophobicContact SD-CD2 4.12Å; M125-F129 HydrophobicContact SD-CE2 3.79Å; M125-V155 HydrophobicContact CE-CB 3.67Å; M125-V155 HydrophobicContact CE-CG2 3.64Å; M125-V155 HydrophobicContact CG-CB 4.12Å; M125-V155 WeakPolarHBondContact CG-O 3.42Å; M125-P157 HydrophobicContact CB-CG 4.26Å; M125-I160 HydrophobicContact CB-CD1 4.19Å
126	V	98.1	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	I	π-helix	trans	-67.4	-44.4	176.8	169.6	0	0	0	0	111.2	D122 L123 K130 G131 I132 L134 L142 I160 V162	D122-V126 WeakPolarHBondContact O-CG2 3.12Å; D122-V126 PolarHBondContact O-N 2.71Å; L123-V126 PolarHBondContact O-N 3.38Å; V126-K130 CarbonylContact O-C 3.54Å; V126-K130 WeakPolarHBondContact O-CA 3.24Å; V126-K130 VanDerWaalsContact O-CB 3.31Å; V126-K130 WeakPolarHBondContact O-CB 3.16Å; V126-K130 PolarHBondContact O-N 3.38Å; V126-G131 PolarHBondContact O-N 3.01Å; V126-I132 HydrophobicContact CG1-CB 3.82Å; V126-I132 HydrophobicContact CG1-CD1 3.9Å; V126-I132 HydrophobicContact CG1-CG1 4.11Å; V126-L134 HydrophobicContact CB-CD1 4.15Å; V126-L134 HydrophobicContact CG1-CD1 3.6Å; V126-L134 HydrophobicContact CG1-CG 4.4Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; V126-L142 HydrophobicContact CG2-CD2 4.14Å; V126-I160 HydrophobicContact CG2-CB 3.99Å; V126-I160 HydrophobicContact CG2-CG2 3.43Å; V126-I160 VanDerWaalsContact CG2-CG2 3.43Å; V126-V162 HydrophobicContact CG1-CG2 4.16Å
127	I	98.1	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-63.7	-45.9	176.8	-64.6	160.7	0	0	0	110.8	A19 F23 W119 L123 V124 G131 I132 L134	A19-I127 HydrophobicContact CB-CG2 3.9Å; F23-I127 HydrophobicContact CD2-CG2 4.31Å; F23-I127 HydrophobicContact CE1-CD1 3.72Å; F23-I127 HydrophobicContact CE1-CG2 4.44Å; F23-I127 HydrophobicContact CE2-CB 4.26Å; F23-I127 HydrophobicContact CE2-CG2 3.62Å; F23-I127 HydrophobicContact CZ-CB 3.94Å; F23-I127 HydrophobicContact CZ-CD1 3.67Å; F23-I127 HydrophobicContact CZ-CG1 4.42Å; F23-I127 HydrophobicContact CZ-CG2 3.69Å; W119-I127 HydrophobicContact CE3-CD1 4.16Å; W119-I127 HydrophobicContact CH2-CD1 4.5Å; W119-I127 HydrophobicContact CZ3-CD1 3.76Å; L123-I127 WeakPolarHBondContact O-CD1 3.44Å; L123-I127 VanDerWaalsContact O-CG1 3.25Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 2.94Å; V124-I127 PolarHBondContact O-N 2.82Å; I127-G131 WeakPolarHBondContact O-CA 3.13Å; I127-G131 PolarHBondContact O-N 3.46Å; I127-I132 WeakPolarHBondContact CG1-O 3.46Å; I127-L134 HydrophobicContact CD1-CB 4.38Å; I127-L134 HydrophobicContact CG1-CB 4.28Å
128	L	98.1	Very high	96.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.14	C	C	.	.	I	π-helix	trans	-67.9	-45.8	-176.5	-75.5	175.2	0	0	0	113.7	V15 R16 A19 W63 L67 L71 V124	V15-L128 CarbonylContact C-O 3.54Å; V15-L128 WeakPolarHBondContact CA-O 3.31Å; V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD2 4.46Å; R16-L128 WeakPolarHBondContact CG-O 3.46Å; R16-L128 PolarHBondContact N-O 2.98Å; A19-L128 HydrophobicContact CB-CD2 3.89Å; W63-L128 HydrophobicContact CH2-CD2 3.8Å; W63-L128 HydrophobicContact CZ3-CD2 4.34Å; L67-L128 HydrophobicContact CD2-CD1 4.14Å; L67-L128 HydrophobicContact CD2-CD2 4.01Å; L67-L128 HydrophobicContact CG-CD1 4.39Å; L71-L128 HydrophobicContact CD2-CD1 4.3Å; V124-L128 HydrophobicContact CG1-CD1 3.65Å; V124-L128 HydrophobicContact CG1-CG 4.07Å; V124-L128 VanDerWaalsContact O-CB 3.24Å; V124-L128 WeakPolarHBondContact O-CB 3.49Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.42Å
129	F	97.7	Very high	96.5	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.057	13%	0.13	C	C	.	.	I	π-helix	trans	-104.5	-28.5	-168.4	-62.9	-74.8	0	0	0	113.5	L11 H14 V15 R16 L68 L71 F83 V87 M125 P157	L11-F129 HydrophobicContact CD2-CE1 4.33Å; H14-F129 HydrophobicContact CB-CD1 4.09Å; H14-F129 HydrophobicContact CB-CE1 4.15Å; H14-F129 WeakPolarHBondContact O-CD1 3.35Å; V15-F129 HydrophobicContact CG2-CE1 3.95Å; V15-F129 HydrophobicContact CG2-CZ 4.19Å; R16-F129 PolarHBondContact NE-O 2.86Å; R16-F129 PolarHBondContact NH2-O 2.92Å; L68-F129 HydrophobicContact CD2-CZ 4.11Å; L71-F129 HydrophobicContact CD2-CE2 4.33Å; F83-F129 HydrophobicContact CE1-CE2 4.38Å; F83-F129 HydrophobicContact CE1-CZ 4.25Å; F83-F129 HydrophobicContact CZ-CD2 4.48Å; F83-F129 AromaticContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CE2 3.75Å; F83-F129 HydrophobicContact CZ-CZ 4.04Å; V87-F129 HydrophobicContact CG1-CD1 3.69Å; V87-F129 HydrophobicContact CG1-CE1 3.78Å; V87-F129 HydrophobicContact CG1-CG 4.49Å; M125-F129 WeakPolarHBondContact O-CD2 3.25Å; M125-F129 PolarHBondContact O-N 2.82Å; M125-F129 VanDerWaalsContact O-N 3.08Å; M125-F129 HydrophobicContact SD-CD2 4.12Å; M125-F129 HydrophobicContact SD-CE2 3.79Å; F129-P157 HydrophobicContact CB-CB 4.24Å; F129-P157 HydrophobicContact CB-CG 3.95Å; F129-P157 HydrophobicContact CD2-CG 3.81Å; F129-P157 HydrophobicContact CG-CG 4.08Å
130	K	96.1	Very high	96.3	Very high	75 Å²	75	30.6 Å²	30.6	33%	0.326	16%	0.159	S	C	.	.	I	π-helix	trans	-100.4	-13.3	175.4	-57	-171.8	175	-177.8	0	113.9	V126 I132 P157 I160	V126-K130 CarbonylContact O-C 3.54Å; V126-K130 WeakPolarHBondContact O-CA 3.24Å; V126-K130 VanDerWaalsContact O-CB 3.31Å; V126-K130 WeakPolarHBondContact O-CB 3.16Å; V126-K130 PolarHBondContact O-N 3.38Å; K130-I132 HydrophobicContact CB-CD1 4.08Å; K130-I132 HydrophobicContact CB-CG1 3.91Å; K130-I132 HydrophobicContact CD-CD1 4.32Å; K130-I132 PolarHBondContact O-N 3.43Å; K130-P157 WeakPolarHBondContact CE-O 3.48Å; K130-P157 PolarHBondContact NZ-O 2.92Å; K130-I160 PolarHBondContact NZ-O 3.06Å
131	G	96.1	Very high	96.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.159	C	C	.	.			trans	70.2	12.4	177.8	0	0	0	0	0	115.1	F18 V126 I127 S224	F18-G131 VanDerWaalsContact CD1-O 3.27Å; F18-G131 WeakPolarHBondContact CD1-O 3.29Å; F18-G131 VanDerWaalsContact CE1-O 3.31Å; F18-G131 WeakPolarHBondContact CE1-O 3.46Å; V126-G131 PolarHBondContact O-N 3.01Å; I127-G131 WeakPolarHBondContact O-CA 3.13Å; I127-G131 PolarHBondContact O-N 3.46Å; G131-S224 VanDerWaalsContact O-CB 3.3Å; G131-S224 WeakPolarHBondContact O-CB 3.37Å
132	I	95.6	Very high	96.2	Very high	59 Å²	59	31.5 Å²	31.5	30%	0.303	16%	0.163	S	C	.	.			trans	-75.4	131.1	-175.1	-54.5	179.8	0	0	0	109.8	V126 I127 K130 L134 V162	V126-I132 HydrophobicContact CG1-CB 3.82Å; V126-I132 HydrophobicContact CG1-CD1 3.9Å; V126-I132 HydrophobicContact CG1-CG1 4.11Å; I127-I132 WeakPolarHBondContact CG1-O 3.46Å; K130-I132 HydrophobicContact CB-CD1 4.08Å; K130-I132 HydrophobicContact CB-CG1 3.91Å; K130-I132 HydrophobicContact CD-CD1 4.32Å; K130-I132 PolarHBondContact O-N 3.43Å; I132-L134 VanDerWaalsContact C-N 3.29Å; I132-L134 HydrophobicContact CB-CG 4.5Å; I132-L134 HydrophobicContact CG2-CD2 4.01Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; I132-L134 PolarHBondContact O-N 3.17Å; I132-V162 HydrophobicContact CD1-CG2 3.81Å; I132-V162 HydrophobicContact CG2-CG2 4.49Å
133	P	94.9	Very high	96.2	Very high	49 Å²	49	34.4 Å²	34.4	32%	0.318	18%	0.182	S	C	.	.			trans	-78.1	65.7	-174	34.2	-39.9	0	0	0	113.1	F18 W22 L220	F18-P133 HydrophobicContact CE1-CB 4.07Å; F18-P133 HydrophobicContact CZ-CB 3.76Å; W22-P133 HydrophobicContact CD2-CB 4.3Å; W22-P133 HydrophobicContact CE3-CB 4.34Å; W22-P133 HydrophobicContact CH2-CB 3.91Å; W22-P133 HydrophobicContact CZ2-CB 3.86Å; W22-P133 VanDerWaalsContact CZ2-O 3.28Å; W22-P133 WeakPolarHBondContact CZ2-O 3.33Å; W22-P133 HydrophobicContact CZ3-CB 4.14Å; P133-L220 HydrophobicContact CB-CD2 4.24Å; P133-L220 HydrophobicContact CG-CD1 4.26Å; P133-L220 HydrophobicContact CG-CD2 4.27Å
134	L	95.3	Very high	96.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.191	C	C	.	.			trans	-84.2	138.4	179.8	-62.3	179.7	0	0	0	112.5	W22 L123 V126 I127 I132 D138 L142 V162	W22-L134 PolarHBondContact NE1-O 3.17Å; L123-L134 HydrophobicContact CD2-CB 4.19Å; L123-L134 HydrophobicContact CD2-CD1 3.86Å; V126-L134 HydrophobicContact CB-CD1 4.15Å; V126-L134 HydrophobicContact CG1-CD1 3.6Å; V126-L134 HydrophobicContact CG1-CG 4.4Å; I127-L134 HydrophobicContact CD1-CB 4.38Å; I127-L134 HydrophobicContact CG1-CB 4.28Å; I132-L134 VanDerWaalsContact C-N 3.29Å; I132-L134 HydrophobicContact CB-CG 4.5Å; I132-L134 HydrophobicContact CG2-CD2 4.01Å; I132-L134 HydrophobicContact CG2-CG 3.99Å; I132-L134 PolarHBondContact O-N 3.17Å; L134-D138 WeakPolarHBondContact CA-OD2 3.41Å; L134-D138 HydrophobicContact CB-CB 4.4Å; L134-D138 HydrophobicContact CD2-CB 4.28Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; L134-L142 HydrophobicContact CD1-CG 4.42Å; L134-V162 HydrophobicContact CD1-CG2 4.24Å; L134-V162 HydrophobicContact CD2-CG1 4.27Å
135	E	93.8	Very high	96	Very high	69 Å²	69	38.1 Å²	38.1	32%	0.322	20%	0.201	S	C	.	.			trans	-81.6	166.2	172	-60.5	-143.2	144.4	0	0	112.3	W22 Q26 T137 D138	W22-E135 HydrophobicContact CZ2-CG 4.3Å; Q26-E135 PolarHBondContact NE2-OE1 2.86Å; E135-T137 PolarHBondContact O-N 3.05Å; E135-D138 PolarHBondContact N-OD2 2.82Å; E135-D138 PolarHBondContact O-N 3.08Å
136	S	92.8	Very high	95.8	Very high	30 Å²	30	43.9 Å²	43.9	21%	0.21	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-0.7	-178.3	70.8	0	0	0	0	114.7	K117 W119	K117-S136 VanDerWaalsContact CE-OG 3.3Å; K117-S136 WeakPolarHBondContact CE-OG 3.42Å; K117-S136 PolarHBondContact NZ-OG 3.44Å; W119-S136 VanDerWaalsContact CZ3-CA 3.47Å; W119-S136 VanDerWaalsContact CZ3-N 3.32Å
137	T	94.1	Very high	95.6	Very high	87 Å²	87	50.7 Å²	50.7	53%	0.534	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-21.1	-179.6	32.9	0	0	0	0	113.1	E135 G139 E140	E135-T137 PolarHBondContact O-N 3.05Å; T137-G139 PolarHBondContact O-N 3.1Å; T137-E140 VanDerWaalsContact O-OE2 3.06Å
138	D	95.3	Very high	95.6	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.134	27%	0.274	C	S	.	.			trans	-73.8	33.7	-169.1	-56.8	0.8	0	0	0	113.6	L123 L134 E135 E140 R141	L123-D138 HydrophobicContact CD2-CB 4.38Å; L134-D138 WeakPolarHBondContact CA-OD2 3.41Å; L134-D138 HydrophobicContact CB-CB 4.4Å; L134-D138 HydrophobicContact CD2-CB 4.28Å; E135-D138 PolarHBondContact N-OD2 2.82Å; E135-D138 PolarHBondContact O-N 3.08Å; D138-E140 VanDerWaalsContact C-N 3.33Å; D138-E140 WeakPolarHBondContact CA-OE1 3.48Å; D138-E140 PolarHBondContact O-N 2.83Å; D138-R141 HydrophobicContact CB-CB 4.33Å; D138-R141 HydrophobicContact CB-CG 4.29Å; D138-R141 PolarHBondContact O-N 3.11Å
139	G	94.7	Very high	95.6	Very high	14 Å²	14	55.6 Å²	55.6	14%	0.144	31%	0.305	C	S	.	.	S	Bend	trans	-69.1	-32.3	-170.5	0	0	0	0	0	112.9	R120 T137	R120-G139 VanDerWaalsContact CZ-O 3.29Å; R120-G139 PolarHBondContact NH1-O 3.3Å; R120-G139 PolarHBondContact NH2-O 2.86Å; T137-G139 PolarHBondContact O-N 3.1Å
140	E	94.3	Very high	95.5	Very high	137 Å²	137	58.2 Å²	58.2	64%	0.64	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-19.9	174.2	69.8	-57	127.8	0	0	113.6	T137 D138 L142	T137-E140 VanDerWaalsContact O-OE2 3.06Å; D138-E140 VanDerWaalsContact C-N 3.33Å; D138-E140 WeakPolarHBondContact CA-OE1 3.48Å; D138-E140 PolarHBondContact O-N 2.83Å; E140-L142 PolarHBondContact O-N 2.64Å
141	R	95.5	Very high	95.5	Very high	70 Å²	70	58.1 Å²	58.1	26%	0.264	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.6	169.6	-60	-170.4	75.7	-168.4	16.1	113.2	D138 V162 S163 D168	D138-R141 HydrophobicContact CB-CB 4.33Å; D138-R141 HydrophobicContact CB-CG 4.29Å; D138-R141 PolarHBondContact O-N 3.11Å; R141-V162 HydrophobicContact CB-CG1 4.32Å; R141-V162 CarbonylContact O-C 3.55Å; R141-V162 VanDerWaalsContact O-CA 3.31Å; R141-V162 WeakPolarHBondContact O-CA 3.49Å; R141-S163 WeakPolarHBondContact CA-OG 3.42Å; R141-S163 PolarHBondContact O-N 3.4Å; R141-S163 PolarHBondContact O-OG 3.22Å; R141-D168 IonicContact CZ-OD2 3.53Å; R141-D168 IonicContact NH2-OD1 2.67Å; R141-D168 PolarHBondContact NH2-OD1 3.25Å; R141-D168 VanDerWaalsContact NH2-OD1 3.09Å; R141-D168 IonicContact NH2-OD2 3.6Å; R141-D168 PolarHBondContact NH2-OD2 2.73Å
142	L	97.3	Very high	95.5	Very high	18 Å²	18	60.5 Å²	60.5	9%	0.094	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.1	176.7	-65.5	-164.9	0	0	0	112.1	D122 L123 V126 L134 E140 I160 G161 V162	D122-L142 HydrophobicContact CB-CD1 3.96Å; D122-L142 WeakPolarHBondContact OD1-CD1 3.48Å; L123-L142 HydrophobicContact CD2-CD1 3.71Å; L123-L142 HydrophobicContact CD2-CG 3.95Å; L123-L142 HydrophobicContact CG-CD1 4.01Å; V126-L142 HydrophobicContact CG2-CD1 4.43Å; V126-L142 HydrophobicContact CG2-CD2 4.14Å; L134-L142 HydrophobicContact CD1-CD2 3.61Å; L134-L142 HydrophobicContact CD1-CG 4.42Å; E140-L142 PolarHBondContact O-N 2.64Å; L142-I160 HydrophobicContact CB-CG2 4.21Å; L142-I160 HydrophobicContact CD1-CG2 3.85Å; L142-I160 HydrophobicContact CD2-CG2 3.92Å; L142-I160 HydrophobicContact CG-CG2 4.22Å; L142-G161 WeakPolarHBondContact CA-O 3.48Å; L142-V162 HydrophobicContact CD2-CG2 3.86Å
143	V	97.3	Very high	95.7	Very high	69 Å²	69	59.3 Å²	59.3	42%	0.418	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	153.3	171.7	-63.2	0	0	0	0	110.3	G161	V143-G161 PolarHBondContact N-O 3.19Å; V143-G161 PolarHBondContact O-N 2.88Å
144	K	96.8	Very high	95.8	Very high	51 Å²	51	57 Å²	57	22%	0.222	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144	174.7	-56.9	-69.3	176.9	174.8	0	109.7	D122 C148 P151 C154 H159 I160	D122-K144 IonicContact OD2-NZ 3.23Å; D122-K144 PolarHBondContact OD2-NZ 3.24Å; K144-C148 HydrophobicContact CB-CB 4.31Å; K144-P151 HydrophobicContact CB-CB 4.13Å; K144-P151 VanDerWaalsContact CE-O 3.25Å; K144-P151 WeakPolarHBondContact CE-O 3.28Å; K144-P151 HydrophobicContact CG-CB 3.79Å; K144-C154 PolarHBondContact NZ-O 3.3Å; K144-H159 CarbonylContact C-O 3.59Å; K144-H159 VanDerWaalsContact CA-O 3.29Å; K144-H159 WeakPolarHBondContact CA-O 3.41Å; K144-I160 HydrophobicContact CD-CG1 4.24Å
145	S	95.4	Very high	96	Very high	30 Å²	30	57 Å²	57	21%	0.21	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.1	174.3	174	0	0	0	0	110.6	Q147 C148 H159	S145-Q147 PolarHBondContact O-N 3.3Å; S145-Q147 PolarHBondContact OG-N 3.49Å; S145-C148 WeakPolarHBondContact O-CB 3.34Å; S145-C148 PolarHBondContact O-N 3.25Å; S145-H159 PolarHBondContact N-O 3.29Å
146	P	95	Very high	96.2	Very high	122 Å²	122	53.7 Å²	53.7	79%	0.792	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-20.2	170.6	-26.3	35.6	0	0	0	114.3	C148	P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 2.89Å
147	Q	94	Very high	96.4	Very high	143 Å²	143	52.4 Å²	52.4	67%	0.668	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-7	174.4	-64.3	164.3	-30.3	0	0	113.1	S145 S149	S145-Q147 PolarHBondContact O-N 3.3Å; S145-Q147 PolarHBondContact OG-N 3.49Å; Q147-S149 PolarHBondContact O-N 3.44Å
148	C	97.4	Very high	96.5	Very high	10 Å²	10	52.9 Å²	52.9	7%	0.068	30%	0.302	C	S	.	.			trans	-88.7	90.8	-176.6	-180	0	0	0	0	111.7	K144 S145 P146 N150 C154 H159	K144-C148 HydrophobicContact CB-CB 4.31Å; S145-C148 WeakPolarHBondContact O-CB 3.34Å; S145-C148 PolarHBondContact O-N 3.25Å; P146-C148 VanDerWaalsContact C-N 3.27Å; P146-C148 PolarHBondContact O-N 2.89Å; C148-N150 PolarHBondContact O-N 2.82Å; C148-C154 WeakPolarHBondContact SG-CB 3.22Å; C148-C154 VanDerWaalsContact SG-SG 3.63Å; C148-H159 HydrophobicContact CB-CB 3.97Å
149	S	97.4	Very high	96.6	Very high	93 Å²	93	52 Å²	52	65%	0.65	30%	0.296	S	S	*	.	S	Bend	trans	-58.2	-16.7	177.6	59	0	0	0	0	115.9	Q147	Q147-S149 PolarHBondContact O-N 3.44Å
150	N	96.9	Very high	96.8	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	29%	0.29	S	S	.	.			trans	-129	59.4	-172.1	-81.5	-99.8	0	0	0	112.5	L97 C148 G152 L153 C154	L97-N150 HydrophobicContact CD2-CB 3.46Å; L97-N150 VanDerWaalsContact CD2-CB 3.46Å; C148-N150 PolarHBondContact O-N 2.82Å; N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.5Å; N150-G152 VanDerWaalsContact O-N 3.15Å; N150-L153 PolarHBondContact O-N 2.97Å; N150-C154 WeakPolarHBondContact O-CB 3.49Å; N150-C154 PolarHBondContact O-N 3.34Å
151	P	96.3	Very high	96.9	Very high	74 Å²	74	46 Å²	46	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.2	-168.6	24.5	-34.6	0	0	0	114.4	K144 L153	K144-P151 HydrophobicContact CB-CB 4.13Å; K144-P151 VanDerWaalsContact CE-O 3.25Å; K144-P151 WeakPolarHBondContact CE-O 3.28Å; K144-P151 HydrophobicContact CG-CB 3.79Å; P151-L153 PolarHBondContact O-N 3.06Å
152	G	96.7	Very high	96.9	Very high	51 Å²	51	44.4 Å²	44.4	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.6	-177	0	0	0	0	0	116.1	N150	N150-G152 VanDerWaalsContact C-N 3.28Å; N150-G152 PolarHBondContact O-N 3.5Å; N150-G152 VanDerWaalsContact O-N 3.15Å
153	L	98.1	Very high	96.8	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.178	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-5.1	-177	-66.3	176.7	0	0	0	114	S98 P100 M106 N150 P151 V155	S98-L153 PolarHBondContact N-O 2.96Å; P100-L153 HydrophobicContact CB-CD1 4.22Å; P100-L153 HydrophobicContact CB-CD2 4Å; M106-L153 VanDerWaalsContact CE-C 3.49Å; N150-L153 PolarHBondContact O-N 2.97Å; P151-L153 PolarHBondContact O-N 3.06Å; L153-V155 PolarHBondContact O-N 3.28Å
154	C	98.4	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-73.9	123.3	178.3	-175.4	0	0	0	0	112	V96 L97 M106 K144 C148 N150	V96-C154 WeakPolarHBondContact O-CA 3.38Å; L97-C154 HydrophobicContact CD2-CB 4.19Å; M106-C154 WeakPolarHBondContact CE-O 3.45Å; K144-C154 PolarHBondContact NZ-O 3.3Å; C148-C154 WeakPolarHBondContact SG-CB 3.22Å; C148-C154 VanDerWaalsContact SG-SG 3.63Å; N150-C154 WeakPolarHBondContact O-CB 3.49Å; N150-C154 PolarHBondContact O-N 3.34Å
155	V	98.2	Very high	96.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	31%	0.31	C	S	.	.			trans	-109	2.6	-179.1	-67	0	0	0	0	113.5	I75 V96 M106 L121 M125 L153 P157	I75-V155 HydrophobicContact CG1-CG2 4.2Å; V96-V155 HydrophobicContact CB-CG2 4.46Å; V96-V155 HydrophobicContact CG1-CG2 3.87Å; V96-V155 WeakPolarHBondContact O-CG2 3.26Å; V96-V155 PolarHBondContact O-N 3.38Å; M106-V155 HydrophobicContact CE-CG1 3.65Å; M106-V155 HydrophobicContact SD-CG1 3.43Å; M106-V155 WeakPolarHBondContact SD-CG1 3.37Å; L121-V155 HydrophobicContact CB-CG1 3.86Å; L121-V155 HydrophobicContact CD1-CG1 4.31Å; M125-V155 HydrophobicContact CE-CB 3.67Å; M125-V155 HydrophobicContact CE-CG2 3.64Å; M125-V155 HydrophobicContact CG-CB 4.12Å; M125-V155 WeakPolarHBondContact CG-O 3.42Å; L153-V155 PolarHBondContact O-N 3.28Å; V155-P157 WeakPolarHBondContact O-CD 3.46Å
156	Q	97.7	Very high	96.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.34	C	S	.	.			trans	-61.7	119.9	-179.8	172	65	-21.4	0	0	111.9	T86 C94 V96 H158 H159 I160	T86-Q156 PolarHBondContact OG1-NE2 3.45Å; T86-Q156 PolarHBondContact OG1-OE1 2.97Å; C94-Q156 WeakPolarHBondContact O-CG 3.28Å; V96-Q156 HydrophobicContact CB-CB 4.22Å; V96-Q156 HydrophobicContact CG2-CB 4.43Å; Q156-H158 VanDerWaalsContact C-N 3.27Å; Q156-H158 HydrophobicContact CG-CB 4.09Å; Q156-H158 PolarHBondContact NE2-ND1 3.36Å; Q156-H158 PolarHBondContact O-N 2.67Å; Q156-H159 HydrophobicContact CB-CB 4.09Å; Q156-H159 HydrophobicContact CG-CB 4.2Å; Q156-H159 WeakPolarHBondContact O-CA 3.38Å; Q156-H159 PolarHBondContact O-N 3.34Å; Q156-I160 WeakPolarHBondContact O-CD1 3.42Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3.23Å
157	P	97.1	Very high	95.9	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.026	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-53.9	-40.4	-179.5	-28.2	32.4	0	0	0	113.6	F83 V87 M125 F129 K130 V155 H159 I160	F83-P157 HydrophobicContact CE2-CG 4.47Å; V87-P157 HydrophobicContact CG2-CG 4.49Å; M125-P157 HydrophobicContact CB-CG 4.26Å; F129-P157 HydrophobicContact CB-CB 4.24Å; F129-P157 HydrophobicContact CB-CG 3.95Å; F129-P157 HydrophobicContact CD2-CG 3.81Å; F129-P157 HydrophobicContact CG-CG 4.08Å; K130-P157 WeakPolarHBondContact CE-O 3.48Å; K130-P157 PolarHBondContact NZ-O 2.92Å; V155-P157 WeakPolarHBondContact O-CD 3.46Å; P157-H159 PolarHBondContact O-N 3.5Å; P157-I160 PolarHBondContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-N 3.1Å
158	H	96.5	Very high	95.6	Very high	97 Å²	97	54.3 Å²	54.3	45%	0.449	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.9	176.9	-62.1	110.4	0	0	0	113.6	T86 P93 Q156	T86-H158 PolarHBondContact O-CE1 3.43Å; T86-H158 VanDerWaalsContact O-CE1 3.22Å; P93-H158 HydrophobicContact CB-CB 3.73Å; P93-H158 HydrophobicContact CG-CB 3.72Å; Q156-H158 VanDerWaalsContact C-N 3.27Å; Q156-H158 HydrophobicContact CG-CB 4.09Å; Q156-H158 PolarHBondContact NE2-ND1 3.36Å; Q156-H158 PolarHBondContact O-N 2.67Å
159	H	97.9	Very high	95.3	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.023	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-91.2	0.8	177	-72.2	-160.6	0	0	0	113.2	C95 K144 S145 C148 Q156 P157	C95-H159 PolarHBondContact N-CE1 3.25Å; C95-H159 PolarHBondContact SG-ND1 2.86Å; K144-H159 CarbonylContact C-O 3.59Å; K144-H159 VanDerWaalsContact CA-O 3.29Å; K144-H159 WeakPolarHBondContact CA-O 3.41Å; S145-H159 PolarHBondContact N-O 3.29Å; C148-H159 HydrophobicContact CB-CB 3.97Å; Q156-H159 HydrophobicContact CB-CB 4.09Å; Q156-H159 HydrophobicContact CG-CB 4.2Å; Q156-H159 WeakPolarHBondContact O-CA 3.38Å; Q156-H159 PolarHBondContact O-N 3.34Å; P157-H159 PolarHBondContact O-N 3.5Å
160	I	98.1	Very high	94.8	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107.8	-178.1	-56.7	155.9	0	0	0	109.3	D122 M125 V126 K130 L142 K144 Q156 P157	D122-I160 HydrophobicContact CB-CD1 3.54Å; D122-I160 HydrophobicContact CB-CG1 4.22Å; M125-I160 HydrophobicContact CB-CD1 4.19Å; V126-I160 HydrophobicContact CG2-CB 3.99Å; V126-I160 HydrophobicContact CG2-CG2 3.43Å; V126-I160 VanDerWaalsContact CG2-CG2 3.43Å; K130-I160 PolarHBondContact NZ-O 3.06Å; L142-I160 HydrophobicContact CB-CG2 4.21Å; L142-I160 HydrophobicContact CD1-CG2 3.85Å; L142-I160 HydrophobicContact CD2-CG2 3.92Å; L142-I160 HydrophobicContact CG-CG2 4.22Å; K144-I160 HydrophobicContact CD-CG1 4.24Å; Q156-I160 WeakPolarHBondContact O-CD1 3.42Å; Q156-I160 WeakPolarHBondContact O-CG1 3.43Å; Q156-I160 PolarHBondContact O-N 3.23Å; P157-I160 PolarHBondContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-N 3.1Å
161	G	96.3	Very high	94.3	Very high	26 Å²	26	60.2 Å²	60.2	27%	0.268	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	164.5	168.6	0	0	0	0	0	111.7	L142 V143	L142-G161 WeakPolarHBondContact CA-O 3.48Å; V143-G161 PolarHBondContact N-O 3.19Å; V143-G161 PolarHBondContact O-N 2.88Å
162	V	96.3	Very high	93.7	Very high	36 Å²	36	58.9 Å²	58.9	22%	0.218	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130	166	-176.8	0	0	0	0	107	V126 I132 L134 R141 L142	V126-V162 HydrophobicContact CG1-CG2 4.16Å; I132-V162 HydrophobicContact CD1-CG2 3.81Å; I132-V162 HydrophobicContact CG2-CG2 4.49Å; L134-V162 HydrophobicContact CD1-CG2 4.24Å; L134-V162 HydrophobicContact CD2-CG1 4.27Å; R141-V162 HydrophobicContact CB-CG1 4.32Å; R141-V162 CarbonylContact O-C 3.55Å; R141-V162 VanDerWaalsContact O-CA 3.31Å; R141-V162 WeakPolarHBondContact O-CA 3.49Å; L142-V162 HydrophobicContact CD2-CG2 3.86Å
163	S	95.1	Very high	93	Very high	44 Å²	44	64.3 Å²	64.3	31%	0.308	33%	0.327	S	S	.	.			trans	-77.8	131.5	172.6	53	0	0	0	0	110.4	R141	R141-S163 WeakPolarHBondContact CA-OG 3.42Å; R141-S163 PolarHBondContact O-N 3.4Å; R141-S163 PolarHBondContact O-OG 3.22Å
164	V	92.1	Very high	92.1	Very high	95 Å²	95	65.8 Å²	65.8	58%	0.576	33%	0.332	S	S	*	.			trans	-111.6	125.2	-177.9	177.6	0	0	0	0	106.3	D168 L169	V164-D168 HydrophobicContact CB-CB 4.5Å; V164-D168 HydrophobicContact CG1-CB 3.55Å; V164-L169 HydrophobicContact CG1-CB 4.39Å
165	K	91.1	Very high	91	Very high	162 Å²	162	67.9 Å²	67.9	70%	0.704	35%	0.345	S	S	*	.			trans	-87.6	166.2	176.1	-67.2	-173.8	177	-176.6	0	110.8	L167 D168 L169	K165-L167 PolarHBondContact O-N 3.48Å; K165-D168 PolarHBondContact N-OD2 3.44Å; K165-D168 WeakPolarHBondContact O-CA 3.46Å; K165-D168 WeakPolarHBondContact O-CB 3.38Å; K165-D168 PolarHBondContact O-N 3.3Å; K165-L169 PolarHBondContact O-N 2.63Å
166	E	92.9	Very high	89.7	Confident	177 Å²	177	74.5 Å²	74.5	83%	0.827	38%	0.375	S	S	*	.	H	α-helix	trans	-53.3	-40.9	176.8	-65.9	166.2	-179.5	0	0	112.3	L169 Y170	E166-L169 PolarHBondContact O-N 3.06Å; E166-Y170 WeakPolarHBondContact O-CB 3.5Å; E166-Y170 PolarHBondContact O-N 3.43Å
167	L	88.8	Confident	88.5	Confident	107 Å²	107	76.1 Å²	76.1	56%	0.56	39%	0.388	S	S	*	.	H	α-helix	trans	-63.6	-41.2	173.6	-178.7	62.9	0	0	0	112.9	K165 L169 Y170 L171	K165-L167 PolarHBondContact O-N 3.48Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.36Å; L167-Y170 PolarHBondContact O-N 3.12Å; L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.32Å
168	D	89.2	Confident	87.1	Confident	55 Å²	55	76.6 Å²	76.6	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-40.4	176.3	-64.4	-52.2	0	0	0	110.3	R141 V164 K165 A172	R141-D168 IonicContact CZ-OD2 3.53Å; R141-D168 IonicContact NH2-OD1 2.67Å; R141-D168 PolarHBondContact NH2-OD1 3.25Å; R141-D168 VanDerWaalsContact NH2-OD1 3.09Å; R141-D168 IonicContact NH2-OD2 3.6Å; R141-D168 PolarHBondContact NH2-OD2 2.73Å; V164-D168 HydrophobicContact CB-CB 4.5Å; V164-D168 HydrophobicContact CG1-CB 3.55Å; K165-D168 PolarHBondContact N-OD2 3.44Å; K165-D168 WeakPolarHBondContact O-CA 3.46Å; K165-D168 WeakPolarHBondContact O-CB 3.38Å; K165-D168 PolarHBondContact O-N 3.3Å; D168-A172 WeakPolarHBondContact O-CB 3.4Å; D168-A172 PolarHBondContact O-N 3.43Å
169	L	89.7	Confident	85.4	Confident	115 Å²	115	75.5 Å²	75.5	60%	0.602	39%	0.39	S	S	*	.	H	α-helix	trans	-70	-43.1	178.8	179.3	62.1	0	0	0	112.4	V164 K165 E166 L167 A172 Y173	V164-L169 HydrophobicContact CG1-CB 4.39Å; K165-L169 PolarHBondContact O-N 2.63Å; E166-L169 PolarHBondContact O-N 3.06Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.36Å; L169-A172 PolarHBondContact O-N 2.91Å; L169-Y173 PolarHBondContact O-N 3.49Å
170	Y	87.8	Confident	83.6	Confident	121 Å²	121	78.6 Å²	78.6	48%	0.475	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-44.2	176.6	177.6	-110.6	0	0	0	111.8	E166 L167 Y173 F174 F205 F209	E166-Y170 WeakPolarHBondContact O-CB 3.5Å; E166-Y170 PolarHBondContact O-N 3.43Å; L167-Y170 PolarHBondContact O-N 3.12Å; Y170-Y173 PolarHBondContact O-N 3.16Å; Y170-F174 PolarHBondContact O-N 3.23Å; Y170-F205 AromaticContact CE1-CZ 3.77Å; Y170-F205 HydrophobicContact CE1-CZ 3.77Å; Y170-F205 AromaticContact CZ-CZ 3.8Å; Y170-F205 WeakPolarHBondContact OH-CE2 3.42Å; Y170-F205 VanDerWaalsContact OH-CZ 3.31Å; Y170-F205 WeakPolarHBondContact OH-CZ 3.39Å; Y170-F209 HydrophobicContact CE1-CZ 4.44Å
171	L	86.3	Confident	81.6	Confident	59 Å²	59	82.5 Å²	82.5	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-63.8	-41.6	174	-69.8	170.7	0	0	0	111.9	L167 F174 V175 F209	L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.22Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.32Å; L171-F174 PolarHBondContact O-N 2.97Å; L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.21Å; L171-F209 HydrophobicContact CD2-CD1 3.68Å; L171-F209 HydrophobicContact CD2-CE1 3.84Å; L171-F209 HydrophobicContact CD2-CG 4.06Å; L171-F209 HydrophobicContact CD2-CZ 4.38Å
172	A	83.6	Confident	79.6	Confident	47 Å²	47	88.6 Å²	88.6	39%	0.388	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-42.7	176.5	0	0	0	0	0	112.4	D168 L169 H176	D168-A172 WeakPolarHBondContact O-CB 3.4Å; D168-A172 PolarHBondContact O-N 3.43Å; L169-A172 PolarHBondContact O-N 2.91Å; A172-H176 PolarHBondContact O-CD2 3.34Å; A172-H176 PolarHBondContact O-N 3.47Å; A172-H176 VanDerWaalsContact O-N 3.11Å
173	Y	82.9	Confident	77.2	Confident	165 Å²	165	91 Å²	91	65%	0.647	48%	0.48	S	S	*	.	H	α-helix	trans	-60.3	-49.1	174.3	173.6	-95.8	0	0	0	111.7	L169 Y170 V175 H176 A177	L169-Y173 PolarHBondContact O-N 3.49Å; Y170-Y173 PolarHBondContact O-N 3.16Å; Y173-V175 VanDerWaalsContact C-N 3.34Å; Y173-V175 PolarHBondContact O-N 3.02Å; Y173-H176 PolarHBondContact O-N 3.01Å; Y173-A177 PolarHBondContact O-N 3.19Å
174	F	78.3	Confident	74.5	Confident	65 Å²	65	97 Å²	97	29%	0.285	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-39.9	-177.8	-170	-85.7	0	0	0	112.4	Y170 L171 A177 A178 F205 Q206	Y170-F174 PolarHBondContact O-N 3.23Å; L171-F174 PolarHBondContact O-N 2.97Å; F174-A177 PolarHBondContact O-N 3.42Å; F174-A178 HydrophobicContact CE1-CB 4.25Å; F174-A178 WeakPolarHBondContact O-CB 3.17Å; F174-A178 PolarHBondContact O-N 2.84Å; F174-F205 HydrophobicContact CB-CE1 4.08Å; F174-F205 AromaticContact CD1-CD1 3.56Å; F174-F205 HydrophobicContact CD1-CD1 3.56Å; F174-F205 AromaticContact CD1-CE1 3.67Å; F174-F205 HydrophobicContact CD1-CE1 3.67Å; F174-F205 AromaticContact CD2-CD1 3.58Å; F174-F205 HydrophobicContact CD2-CD1 3.58Å; F174-F205 AromaticContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CE1 3.42Å; F174-F205 VanDerWaalsContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CG 4.25Å; F174-F205 AromaticContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CE1-CB 4.34Å; F174-F205 AromaticContact CE1-CD1 3.38Å; F174-F205 HydrophobicContact CE1-CD1 3.38Å; F174-F205 AromaticContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CG 4.21Å; F174-F205 HydrophobicContact CE2-CB 4.1Å; F174-F205 AromaticContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD2 4.37Å; F174-F205 AromaticContact CE2-CE1 3.74Å; F174-F205 HydrophobicContact CE2-CE1 3.74Å; F174-F205 AromaticContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CZ 4.37Å; F174-F205 AromaticContact CG-CD1 3.68Å; F174-F205 HydrophobicContact CG-CD1 3.68Å; F174-F205 AromaticContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CZ 4.28Å; F174-F205 HydrophobicContact CZ-CB 3.71Å; F174-F205 AromaticContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CE1 4.04Å; F174-F205 AromaticContact CZ-CG 3.7Å; F174-F205 HydrophobicContact CZ-CG 3.7Å; F174-Q206 HydrophobicContact CE1-CG 4.48Å
175	V	75.6	Confident	71.9	Confident	44 Å²	44	97.4 Å²	97.4	27%	0.267	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.4	175.9	171.3	0	0	0	0	111.4	L171 Y173 A177 A178 D179 V217	L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.21Å; Y173-V175 VanDerWaalsContact C-N 3.34Å; Y173-V175 PolarHBondContact O-N 3.02Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.08Å; V175-A178 PolarHBondContact O-N 2.85Å; V175-D179 PolarHBondContact O-N 3.3Å; V175-V217 HydrophobicContact CG1-CB 3.78Å; V175-V217 HydrophobicContact CG1-CG1 3.9Å; V175-V217 HydrophobicContact CG1-CG2 3.97Å; V175-V217 HydrophobicContact CG2-CG2 4.23Å
176	H	71.4	Confident	69.6	Low	140 Å²	140	95.9 Å²	95.9	65%	0.648	52%	0.517	S	S	*	.	H	α-helix	trans	-62.5	-38.7	175.4	-87.6	-65.8	0	0	0	112.8	A172 Y173 S180	A172-H176 PolarHBondContact O-CD2 3.34Å; A172-H176 PolarHBondContact O-N 3.47Å; A172-H176 VanDerWaalsContact O-N 3.11Å; Y173-H176 PolarHBondContact O-N 3.01Å; H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 VanDerWaalsContact O-N 3.13Å
177	A	72.3	Confident	67.2	Low	33 Å²	33	92.8 Å²	92.8	27%	0.273	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-46.2	174.8	0	0	0	0	0	111.6	Y173 F174 V175 S180 S181	Y173-A177 PolarHBondContact O-N 3.19Å; F174-A177 PolarHBondContact O-N 3.42Å; V175-A177 VanDerWaalsContact C-N 3.33Å; V175-A177 PolarHBondContact O-N 3.08Å; A177-S180 PolarHBondContact O-N 2.78Å; A177-S180 PolarHBondContact O-OG 3.02Å; A177-S181 PolarHBondContact O-N 3.05Å; A177-S181 PolarHBondContact O-OG 2.81Å
178	A	67.9	Low	64.8	Low	15 Å²	15	96.2 Å²	96.2	12%	0.124	53%	0.528	C	S	.	.	H	α-helix	trans	-62.6	-42.9	179	0	0	0	0	0	113.1	F174 V175 S180 S181	F174-A178 HydrophobicContact CE1-CB 4.25Å; F174-A178 WeakPolarHBondContact O-CB 3.17Å; F174-A178 PolarHBondContact O-N 2.84Å; V175-A178 PolarHBondContact O-N 2.85Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 2.85Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 3.12Å
179	D	60.6	Low	62.7	Low	74 Å²	74	99.6 Å²	99.6	40%	0.396	55%	0.552	S	S	.	*	H	α-helix	trans	-62.2	-37.3	174.7	-79	-16.1	0	0	0	111.2	V175 T218	V175-D179 PolarHBondContact O-N 3.3Å; D179-T218 VanDerWaalsContact OD2-CG2 3.31Å; D179-T218 WeakPolarHBondContact OD2-CG2 3.44Å
180	S	59.8	Low	60.1	Low	70 Å²	70	99.3 Å²	99.3	49%	0.49	56%	0.56	S	S	.	*	H	α-helix	trans	-67.9	-41.1	177.9	72.7	0	0	0	0	113	H176 A177 A178 Q182 S183	H176-S180 PolarHBondContact O-N 3.35Å; H176-S180 VanDerWaalsContact O-N 3.13Å; A177-S180 PolarHBondContact O-N 2.78Å; A177-S180 PolarHBondContact O-OG 3.02Å; A178-S180 VanDerWaalsContact C-N 3.29Å; A178-S180 PolarHBondContact O-N 2.85Å; S180-Q182 PolarHBondContact O-N 3.04Å; S180-S183 PolarHBondContact O-N 3.36Å; S180-S183 VanDerWaalsContact O-N 3.09Å; S180-S183 PolarHBondContact O-OG 2.93Å
181	S	56.4	Low	58	Low	82 Å²	82	102 Å²	102	57%	0.573	58%	0.583	S	S	*	*	H	α-helix	trans	-69.5	-11.6	-177.8	59.5	0	0	0	0	114.8	A177 A178	A177-S181 PolarHBondContact O-N 3.05Å; A177-S181 PolarHBondContact O-OG 2.81Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 3.12Å
182	Q	54.8	Low	55.8	Low	154 Å²	154	103.4 Å²	103.4	72%	0.72	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-1.5	174.2	-64.6	-172.4	10.7	0	0	113.3	S180	S180-Q182 PolarHBondContact O-N 3.04Å
183	S	44.2	Very low	54.2	Low	88 Å²	88	108.5 Å²	108.5	62%	0.615	62%	0.623	S	S	*	*	S	Bend	trans	-93.1	-13	-175.6	69.6	0	0	0	0	114.9	S180 S185	S180-S183 PolarHBondContact O-N 3.36Å; S180-S183 VanDerWaalsContact O-N 3.09Å; S180-S183 PolarHBondContact O-OG 2.93Å; S183-S185 PolarHBondContact O-N 3.4Å
184	E	39.6	Very low	52.7	Low	169 Å²	169	108 Å²	108	79%	0.79	63%	0.63	S	S	*	*			trans	-82.7	103.8	174.7	-65.7	-169	104.5	0	0	110.6	P186	E184-P186 WeakPolarHBondContact O-CD 3.41Å
185	S	36.1	Very low	51.2	Low	103 Å²	103	114.2 Å²	114.2	72%	0.72	66%	0.657	S	S	*	*			trans	-81	118.6	175.8	-64	0	0	0	0	111.5	S183 S187	S183-S185 PolarHBondContact O-N 3.4Å; S185-S187 PolarHBondContact O-N 2.97Å; S185-S187 VanDerWaalsContact O-N 3.13Å
186	P	44.3	Very low	49.5	Very low	130 Å²	130	119.4 Å²	119.4	84%	0.844	68%	0.684	S	S	*	*			trans	-76.7	101.1	178.1	30.4	-33.8	0	0	0	110.8	E184	E184-P186 WeakPolarHBondContact O-CD 3.41Å
187	S	42.8	Very low	48.3	Very low	112 Å²	112	119.7 Å²	119.7	78%	0.783	69%	0.685	S	S	*	*			trans	-101.4	66	-175	49.8	0	0	0	0	114	S185	S185-S187 PolarHBondContact O-N 2.97Å; S185-S187 VanDerWaalsContact O-N 3.13Å
188	Q	37.9	Very low	46.9	Very low	180 Å²	180	123.8 Å²	123.8	84%	0.841	71%	0.709	S	S	*	*			trans	-158.9	143.1	146.7	-80.6	-141.7	-32.7	0	0	111.7
189	P	43.7	Very low	46	Very low	125 Å²	125	130.9 Å²	130.9	81%	0.812	74%	0.74	S	S	*	*			trans	-89.9	135.8	166.2	34.7	-30	0	0	0	111.2
190	S	36.8	Very low	45	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	76%	0.76	S	S	*	*			trans	-143.9	116.5	166.2	59.3	0	0	0	0	109.8	A192	S190-A192 PolarHBondContact O-N 3.31Å
191	D	43.7	Very low	44.2	Very low	178 Å²	178	134.9 Å²	134.9	95%	0.952	77%	0.773	S	S	*	*			trans	-61.5	122.5	174.8	-71.6	-79	0	0	0	111.2
192	A	38.6	Very low	43.5	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	79%	0.785	S	S	*	*			trans	-148	97	167	0	0	0	0	0	108.6	S190 I194	S190-A192 PolarHBondContact O-N 3.31Å; A192-I194 PolarHBondContact O-N 2.88Å; A192-I194 VanDerWaalsContact O-N 3.17Å
193	D	51.7	Low	43.1	Very low	154 Å²	154	138 Å²	138	82%	0.824	78%	0.782	S	S	*	*			trans	-66.6	110	167.5	-172.3	-50.7	0	0	0	108.4
194	I	49.8	Very low	43.7	Very low	154 Å²	154	135.1 Å²	135.1	79%	0.79	77%	0.767	S	S	*	*			trans	-143.4	114.5	154.3	-97.1	142.5	0	0	0	107.8	A192 D196	A192-I194 PolarHBondContact O-N 2.88Å; A192-I194 VanDerWaalsContact O-N 3.17Å; I194-D196 PolarHBondContact O-N 3.2Å
195	K	47.3	Very low	44.4	Very low	196 Å²	196	130.2 Å²	130.2	85%	0.852	74%	0.743	S	S	*	*			trans	-73.9	107.1	167.6	169.9	-159.4	171	-171.4	0	109.2
196	D	40.8	Very low	45.5	Very low	153 Å²	153	131.4 Å²	131.4	82%	0.818	74%	0.737	S	S	*	*			trans	-147	142.8	152.4	-128.2	-37.8	0	0	0	112.9	I194	I194-D196 PolarHBondContact O-N 3.2Å
197	Q	46.2	Very low	46.5	Very low	146 Å²	146	130.4 Å²	130.4	68%	0.682	72%	0.724	S	S	*	*			trans	-129.1	112.1	-169.8	178.9	-165.6	16	0	0	109.6	E199	Q197-E199 HydrophobicContact CG-CG 4.41Å; Q197-E199 PolarHBondContact O-N 3.19Å
198	P	43.1	Very low	47.9	Very low	120 Å²	120	129 Å²	129	78%	0.779	71%	0.714	S	S	*	*			trans	-77.9	88.2	166	31.3	-31.4	0	0	0	109.7	N200	P198-N200 PolarHBondContact O-N 3.01Å
199	E	47.6	Very low	49.5	Very low	164 Å²	164	124 Å²	124	77%	0.766	69%	0.69	S	S	*	*			trans	-65.9	86.2	154.7	-84.7	-157.2	128.5	0	0	108.6	Q197	Q197-E199 HydrophobicContact CG-CG 4.41Å; Q197-E199 PolarHBondContact O-N 3.19Å
200	N	40.1	Very low	50.7	Low	152 Å²	152	124.8 Å²	124.8	81%	0.813	69%	0.692	S	S	*	*			trans	-150.3	133.6	163.8	-116.8	-49.1	0	0	0	110.4	P198 H202	P198-N200 PolarHBondContact O-N 3.01Å; N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.17Å
201	G	43	Very low	52.5	Low	75 Å²	75	123.9 Å²	123.9	77%	0.773	68%	0.682	S	S	*	*			trans	-75.4	65.6	-169.3	0	0	0	0	0	114	L203	G201-L203 PolarHBondContact O-N 2.93Å
202	H	42.1	Very low	53.9	Low	176 Å²	176	120.4 Å²	120.4	82%	0.815	67%	0.672	S	S	*	*			trans	-70.9	81.8	162.3	-162.9	-27.6	0	0	0	108.6	N200 G204	N200-H202 VanDerWaalsContact C-N 3.25Å; N200-H202 PolarHBondContact O-N 3.17Å; H202-G204 PolarHBondContact O-N 2.77Å
203	L	46.1	Very low	56.1	Low	125 Å²	125	117.7 Å²	117.7	65%	0.654	65%	0.652	S	S	*	*			trans	-46.1	126.8	160.5	-68.7	173.5	0	0	0	107.5	G201 D207	G201-L203 PolarHBondContact O-N 2.93Å; L203-D207 HydrophobicContact CB-CB 4.23Å; L203-D207 HydrophobicContact CD2-CB 4.36Å
204	G	56.8	Low	58	Low	29 Å²	29	111 Å²	111	30%	0.299	62%	0.617	S	S	.	*			trans	-61.6	150.7	177.5	0	0	0	0	0	108.9	H202 Q206 D207	H202-G204 PolarHBondContact O-N 2.77Å; G204-Q206 PolarHBondContact O-N 3.32Å; G204-D207 PolarHBondContact N-OD2 3.49Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 3.03Å
205	F	54.6	Low	59.9	Low	65 Å²	65	104.7 Å²	104.7	29%	0.285	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-56	-27.3	174.1	-176.8	-86.9	0	0	0	111.6	Y170 F174 D207 S208 F209	Y170-F205 AromaticContact CE1-CZ 3.77Å; Y170-F205 HydrophobicContact CE1-CZ 3.77Å; Y170-F205 AromaticContact CZ-CZ 3.8Å; Y170-F205 WeakPolarHBondContact OH-CE2 3.42Å; Y170-F205 VanDerWaalsContact OH-CZ 3.31Å; Y170-F205 WeakPolarHBondContact OH-CZ 3.39Å; F174-F205 HydrophobicContact CB-CE1 4.08Å; F174-F205 AromaticContact CD1-CD1 3.56Å; F174-F205 HydrophobicContact CD1-CD1 3.56Å; F174-F205 AromaticContact CD1-CE1 3.67Å; F174-F205 HydrophobicContact CD1-CE1 3.67Å; F174-F205 AromaticContact CD2-CD1 3.58Å; F174-F205 HydrophobicContact CD2-CD1 3.58Å; F174-F205 AromaticContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CE1 3.42Å; F174-F205 VanDerWaalsContact CD2-CE1 3.42Å; F174-F205 HydrophobicContact CD2-CG 4.25Å; F174-F205 AromaticContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CD2-CZ 3.99Å; F174-F205 HydrophobicContact CE1-CB 4.34Å; F174-F205 AromaticContact CE1-CD1 3.38Å; F174-F205 HydrophobicContact CE1-CD1 3.38Å; F174-F205 AromaticContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CE1 4Å; F174-F205 HydrophobicContact CE1-CG 4.21Å; F174-F205 HydrophobicContact CE2-CB 4.1Å; F174-F205 AromaticContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD1 3.38Å; F174-F205 HydrophobicContact CE2-CD2 4.37Å; F174-F205 AromaticContact CE2-CE1 3.74Å; F174-F205 HydrophobicContact CE2-CE1 3.74Å; F174-F205 AromaticContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CG 3.71Å; F174-F205 HydrophobicContact CE2-CZ 4.37Å; F174-F205 AromaticContact CG-CD1 3.68Å; F174-F205 HydrophobicContact CG-CD1 3.68Å; F174-F205 AromaticContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CE1 3.39Å; F174-F205 HydrophobicContact CG-CZ 4.28Å; F174-F205 HydrophobicContact CZ-CB 3.71Å; F174-F205 AromaticContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CD1 3.29Å; F174-F205 HydrophobicContact CZ-CE1 4.04Å; F174-F205 AromaticContact CZ-CG 3.7Å; F174-F205 HydrophobicContact CZ-CG 3.7Å; F205-D207 VanDerWaalsContact C-N 3.35Å; F205-D207 PolarHBondContact O-N 2.92Å; F205-S208 VanDerWaalsContact O-CB 3.31Å; F205-S208 WeakPolarHBondContact O-CB 3.4Å; F205-S208 PolarHBondContact O-N 3.19Å; F205-F209 HydrophobicContact CD1-CD2 4.15Å; F205-F209 AromaticContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD2-CE2 4.42Å; F205-F209 AromaticContact CE1-CD2 3.91Å; F205-F209 HydrophobicContact CE1-CD2 3.91Å; F205-F209 AromaticContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CZ 4.11Å; F205-F209 AromaticContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CZ 4.47Å; F205-F209 HydrophobicContact CG-CE2 4.37Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 AromaticContact CZ-CE2 3.39Å; F205-F209 HydrophobicContact CZ-CE2 3.39Å; F205-F209 AromaticContact CZ-CZ 3.85Å; F205-F209 HydrophobicContact CZ-CZ 3.85Å; F205-F209 VanDerWaalsContact O-CD2 3.29Å; F205-F209 WeakPolarHBondContact O-CD2 3.09Å
206	Q	58.8	Low	61.8	Low	129 Å²	129	97.8 Å²	97.8	60%	0.603	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-62.1	-35.4	171.8	-60	-171.4	10.8	0	0	113.6	F174 G204 S208 F209	F174-Q206 HydrophobicContact CE1-CG 4.48Å; G204-Q206 PolarHBondContact O-N 3.32Å; Q206-S208 PolarHBondContact O-N 3.14Å; Q206-F209 PolarHBondContact O-N 3.36Å; Q206-F209 VanDerWaalsContact O-N 3.13Å
207	D	65.2	Low	63.9	Low	109 Å²	109	93.8 Å²	93.8	58%	0.583	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.8	177.7	-58.6	-43.4	0	0	0	112.3	L203 G204 F205 F209	L203-D207 HydrophobicContact CB-CB 4.23Å; L203-D207 HydrophobicContact CD2-CB 4.36Å; G204-D207 PolarHBondContact N-OD2 3.49Å; G204-D207 WeakPolarHBondContact O-CB 3.4Å; G204-D207 PolarHBondContact O-N 3.03Å; F205-D207 VanDerWaalsContact C-N 3.35Å; F205-D207 PolarHBondContact O-N 2.92Å; D207-F209 VanDerWaalsContact C-N 3.27Å; D207-F209 PolarHBondContact O-N 3.43Å
208	S	72.2	Confident	65.7	Low	82 Å²	82	89.7 Å²	89.7	57%	0.573	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-75.6	-10.7	175	-56.6	0	0	0	0	113.5	F205 Q206	F205-S208 VanDerWaalsContact O-CB 3.31Å; F205-S208 WeakPolarHBondContact O-CB 3.4Å; F205-S208 PolarHBondContact O-N 3.19Å; Q206-S208 PolarHBondContact O-N 3.14Å
209	F	71.3	Confident	67.9	Low	76 Å²	76	86.2 Å²	86.2	33%	0.333	50%	0.5	S	S	.	.			trans	-128.9	97.1	-173.1	-63.1	-82.6	0	0	0	113.8	Y170 L171 F205 Q206 D207 T211	Y170-F209 HydrophobicContact CE1-CZ 4.44Å; L171-F209 HydrophobicContact CD2-CD1 3.68Å; L171-F209 HydrophobicContact CD2-CE1 3.84Å; L171-F209 HydrophobicContact CD2-CG 4.06Å; L171-F209 HydrophobicContact CD2-CZ 4.38Å; F205-F209 HydrophobicContact CD1-CD2 4.15Å; F205-F209 AromaticContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD1-CE2 3.81Å; F205-F209 HydrophobicContact CD2-CE2 4.42Å; F205-F209 AromaticContact CE1-CD2 3.91Å; F205-F209 HydrophobicContact CE1-CD2 3.91Å; F205-F209 AromaticContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CE2 3.29Å; F205-F209 HydrophobicContact CE1-CZ 4.11Å; F205-F209 AromaticContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CE2 3.96Å; F205-F209 HydrophobicContact CE2-CZ 4.47Å; F205-F209 HydrophobicContact CG-CE2 4.37Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 AromaticContact CZ-CE2 3.39Å; F205-F209 HydrophobicContact CZ-CE2 3.39Å; F205-F209 AromaticContact CZ-CZ 3.85Å; F205-F209 HydrophobicContact CZ-CZ 3.85Å; F205-F209 VanDerWaalsContact O-CD2 3.29Å; F205-F209 WeakPolarHBondContact O-CD2 3.09Å; Q206-F209 PolarHBondContact O-N 3.36Å; Q206-F209 VanDerWaalsContact O-N 3.13Å; D207-F209 VanDerWaalsContact C-N 3.27Å; D207-F209 PolarHBondContact O-N 3.43Å; F209-T211 PolarHBondContact O-N 3.3Å; F209-T211 VanDerWaalsContact O-N 3.09Å
210	V	69.3	Low	69.9	Low	140 Å²	140	80.3 Å²	80.3	85%	0.848	47%	0.473	S	S	*	.			trans	-73.1	102.9	172.4	-175.8	0	0	0	0	110.7
211	T	74.3	Confident	72.2	Confident	90 Å²	90	76.6 Å²	76.6	55%	0.552	46%	0.456	S	S	*	.			trans	-65.2	135.8	172.5	55.4	0	0	0	0	111.5	K42 F209	K42-T211 VanDerWaalsContact CE-O 3.26Å; K42-T211 WeakPolarHBondContact CE-O 3.32Å; K42-T211 PolarHBondContact NZ-O 3.15Å; K42-T211 PolarHBondContact NZ-OG1 2.91Å; F209-T211 PolarHBondContact O-N 3.3Å; F209-T211 VanDerWaalsContact O-N 3.09Å
212	S	74	Confident	74.4	Confident	105 Å²	105	80 Å²	80	73%	0.734	45%	0.446	S	S	*	.	S	Bend	trans	-79.3	-16.8	176.8	-167.3	0	0	0	0	113.7
213	G	84.1	Confident	76.7	Confident	31 Å²	31	72.9 Å²	72.9	32%	0.32	41%	0.414	S	S	.	.	S	Bend	trans	-97.5	178.4	-178.1	0	0	0	0	0	114.9	K42	K42-G213 PolarHBondContact NZ-O 3.09Å
214	V	90.5	Very high	78.8	Confident	13 Å²	13	68 Å²	68	8%	0.079	39%	0.39	C	S	.	.	S	Bend	trans	-118	6	174.7	-75.7	0	0	0	0	114.4	L25 K42 E45 R46 K49	L25-V214 HydrophobicContact CD2-CG2 4.08Å; K42-V214 HydrophobicContact CD-CG1 4.12Å; K42-V214 WeakPolarHBondContact O-CG1 3.47Å; E45-V214 HydrophobicContact CB-CB 4.31Å; E45-V214 HydrophobicContact CB-CG1 3.4Å; E45-V214 HydrophobicContact CB-CG2 4.03Å; E45-V214 HydrophobicContact CG-CG1 4.4Å; R46-V214 HydrophobicContact CB-CB 4.45Å; R46-V214 HydrophobicContact CB-CG1 4.34Å; K49-V214 HydrophobicContact CB-CG2 4.08Å; K49-V214 HydrophobicContact CD-CB 4.45Å; K49-V214 HydrophobicContact CD-CG2 4.12Å; K49-V214 WeakPolarHBondContact CD-O 3.25Å; K49-V214 HydrophobicContact CG-CG2 4.4Å; K49-V214 PolarHBondContact NZ-O 2.95Å
215	F	90.6	Very high	80.4	Confident	22 Å²	22	72.3 Å²	72.3	10%	0.096	40%	0.403	C	S	.	.	S	Bend	trans	-94.6	140.4	166.3	-62.3	-96.8	0	0	0	109.6	F18 T21 W22 L25 K49 L53 E219 L220 V223	F18-F215 HydrophobicContact CD2-CE1 4.3Å; F18-F215 HydrophobicContact CD2-CZ 4.22Å; F18-F215 HydrophobicContact CE2-CE1 4.04Å; F18-F215 HydrophobicContact CE2-CE2 4.01Å; F18-F215 AromaticContact CE2-CZ 3.7Å; F18-F215 HydrophobicContact CE2-CZ 3.7Å; T21-F215 HydrophobicContact CG2-CZ 3.96Å; W22-F215 HydrophobicContact CE3-CE2 4.1Å; W22-F215 HydrophobicContact CZ3-CD2 4.41Å; W22-F215 HydrophobicContact CZ3-CE2 4.2Å; L25-F215 HydrophobicContact CD2-CE2 3.87Å; K49-F215 HydrophobicContact CD-CD1 3.74Å; K49-F215 HydrophobicContact CD-CD2 4.14Å; K49-F215 HydrophobicContact CD-CE1 3.74Å; K49-F215 HydrophobicContact CD-CE2 4.14Å; K49-F215 HydrophobicContact CD-CG 3.95Å; K49-F215 HydrophobicContact CD-CZ 3.94Å; K49-F215 HydrophobicContact CG-CD1 4.3Å; K49-F215 HydrophobicContact CG-CE1 3.76Å; K49-F215 HydrophobicContact CG-CE2 3.99Å; K49-F215 HydrophobicContact CG-CZ 3.59Å; L53-F215 HydrophobicContact CD1-CE1 4.3Å; F215-E219 WeakPolarHBondContact CA-OE2 3.19Å; F215-E219 HydrophobicContact CB-CB 4.43Å; F215-E219 HydrophobicContact CD1-CB 4.38Å; F215-L220 HydrophobicContact CB-CD1 4.35Å; F215-L220 HydrophobicContact CB-CD2 3.67Å; F215-L220 HydrophobicContact CB-CG 3.6Å; F215-L220 HydrophobicContact CD1-CD2 4.16Å; F215-L220 HydrophobicContact CD2-CD2 4.11Å; F215-L220 HydrophobicContact CG-CD2 3.74Å; F215-L220 HydrophobicContact CG-CG 4.22Å; F215-V223 HydrophobicContact CD1-CG2 4.31Å; F215-V223 HydrophobicContact CE1-CG2 4.1Å
216	S	87.6	Confident	82.1	Confident	51 Å²	51	72.3 Å²	72.3	36%	0.357	41%	0.408	S	S	.	.			trans	-73.3	166.6	159.4	77.2	0	0	0	0	110.4	T218 E219 L220	S216-T218 PolarHBondContact OG-N 2.67Å; S216-T218 PolarHBondContact OG-OG1 2.86Å; S216-E219 PolarHBondContact N-OE2 3.47Å; S216-E219 PolarHBondContact O-N 2.86Å; S216-E219 WeakPolarHBondContact OG-CB 3.12Å; S216-E219 WeakPolarHBondContact OG-CG 3.4Å; S216-E219 PolarHBondContact OG-N 2.76Å; S216-L220 WeakPolarHBondContact O-CG 3.42Å; S216-L220 PolarHBondContact O-N 3.2Å
217	V	84.3	Confident	83.8	Confident	70 Å²	70	68.3 Å²	68.3	42%	0.424	39%	0.394	S	S	.	.	H	α-helix	trans	-66.4	-41.1	173.6	-179.3	0	0	0	0	110.9	V175 E219 L220 V221	V175-V217 HydrophobicContact CG1-CB 3.78Å; V175-V217 HydrophobicContact CG1-CG1 3.9Å; V175-V217 HydrophobicContact CG1-CG2 3.97Å; V175-V217 HydrophobicContact CG2-CG2 4.23Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.89Å; V217-L220 PolarHBondContact O-N 2.81Å; V217-L220 VanDerWaalsContact O-N 3.13Å; V217-V221 HydrophobicContact CG1-CG2 4.25Å; V217-V221 WeakPolarHBondContact O-CG2 3.1Å; V217-V221 PolarHBondContact O-N 2.97Å
218	T	84.5	Confident	85.1	Confident	60 Å²	60	63.5 Å²	63.5	37%	0.368	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-32.7	174.5	52.1	0	0	0	0	113	D179 S216 R222	D179-T218 VanDerWaalsContact OD2-CG2 3.31Å; D179-T218 WeakPolarHBondContact OD2-CG2 3.44Å; S216-T218 PolarHBondContact OG-N 2.67Å; S216-T218 PolarHBondContact OG-OG1 2.86Å; T218-R222 WeakPolarHBondContact O-CB 3.43Å; T218-R222 PolarHBondContact O-N 3.14Å
219	E	88.9	Confident	85.8	Confident	47 Å²	47	60 Å²	60	22%	0.22	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-49.9	168	-76.1	-177.7	145.3	0	0	112	K49 F215 S216 V217 V221 R222 V223	K49-E219 IonicContact NZ-OE1 3.4Å; K49-E219 PolarHBondContact NZ-OE1 2.93Å; K49-E219 IonicContact NZ-OE2 2.71Å; K49-E219 PolarHBondContact NZ-OE2 3.22Å; F215-E219 WeakPolarHBondContact CA-OE2 3.19Å; F215-E219 HydrophobicContact CB-CB 4.43Å; F215-E219 HydrophobicContact CD1-CB 4.38Å; S216-E219 PolarHBondContact N-OE2 3.47Å; S216-E219 PolarHBondContact O-N 2.86Å; S216-E219 WeakPolarHBondContact OG-CB 3.12Å; S216-E219 WeakPolarHBondContact OG-CG 3.4Å; S216-E219 PolarHBondContact OG-N 2.76Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.89Å; E219-V221 PolarHBondContact O-N 2.99Å; E219-R222 WeakPolarHBondContact O-CB 3.24Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 VanDerWaalsContact O-N 3.13Å; E219-V223 WeakPolarHBondContact O-CG2 3.3Å; E219-V223 PolarHBondContact O-N 3.42Å
220	L	89.5	Confident	85.7	Confident	40 Å²	40	59.6 Å²	59.6	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-55.9	-48.3	-179.7	-77.6	174.3	0	0	0	111.7	F18 P133 F215 S216 V217 R222 V223 S224	F18-L220 HydrophobicContact CE2-CD2 4.03Å; F18-L220 HydrophobicContact CZ-CD2 4.1Å; P133-L220 HydrophobicContact CB-CD2 4.24Å; P133-L220 HydrophobicContact CG-CD1 4.26Å; P133-L220 HydrophobicContact CG-CD2 4.27Å; F215-L220 HydrophobicContact CB-CD1 4.35Å; F215-L220 HydrophobicContact CB-CD2 3.67Å; F215-L220 HydrophobicContact CB-CG 3.6Å; F215-L220 HydrophobicContact CD1-CD2 4.16Å; F215-L220 HydrophobicContact CD2-CD2 4.11Å; F215-L220 HydrophobicContact CG-CD2 3.74Å; F215-L220 HydrophobicContact CG-CG 4.22Å; S216-L220 WeakPolarHBondContact O-CG 3.42Å; S216-L220 PolarHBondContact O-N 3.2Å; V217-L220 PolarHBondContact O-N 2.81Å; V217-L220 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.93Å; L220-V223 PolarHBondContact O-N 2.84Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.16Å; L220-S224 PolarHBondContact O-OG 2.81Å
221	V	87.9	Confident	84.9	Confident	74 Å²	74	56.8 Å²	56.8	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-57.1	-45.9	177.2	172.2	0	0	0	0	110.3	V217 E219 S224 Q225	V217-V221 HydrophobicContact CG1-CG2 4.25Å; V217-V221 WeakPolarHBondContact O-CG2 3.1Å; V217-V221 PolarHBondContact O-N 2.97Å; E219-V221 PolarHBondContact O-N 2.99Å; V221-S224 PolarHBondContact O-OG 3.31Å; V221-Q225 VanDerWaalsContact O-CG 3.26Å; V221-Q225 WeakPolarHBondContact O-CG 3.43Å
222	R	90.2	Very high	83.6	Confident	147 Å²	147	56.8 Å²	56.8	56%	0.555	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-51	179.2	-164.6	-170.1	-50.4	117.7	7	112.7	T218 E219 L220 T226	T218-R222 WeakPolarHBondContact O-CB 3.43Å; T218-R222 PolarHBondContact O-N 3.14Å; E219-R222 WeakPolarHBondContact O-CB 3.24Å; E219-R222 PolarHBondContact O-N 3.11Å; E219-R222 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.93Å; R222-T226 PolarHBondContact O-OG1 2.79Å
223	V	90	Very high	81.9	Confident	25 Å²	25	54.3 Å²	54.3	15%	0.152	35%	0.345	C	S	.	.	H	α-helix	trans	-78.4	-30.9	-173.2	-57	0	0	0	0	113.3	F18 L53 F215 E219 L220 Q225	F18-V223 HydrophobicContact CB-CB 4.37Å; F18-V223 HydrophobicContact CB-CG2 4.12Å; F18-V223 WeakPolarHBondContact CB-O 3.34Å; F18-V223 HydrophobicContact CD2-CB 4.46Å; F18-V223 HydrophobicContact CD2-CG2 3.47Å; F18-V223 VanDerWaalsContact CD2-CG2 3.47Å; F18-V223 HydrophobicContact CE2-CG2 4.22Å; F18-V223 HydrophobicContact CG-CG2 4.05Å; L53-V223 HydrophobicContact CD2-CG1 4.12Å; F215-V223 HydrophobicContact CD1-CG2 4.31Å; F215-V223 HydrophobicContact CE1-CG2 4.1Å; E219-V223 WeakPolarHBondContact O-CG2 3.3Å; E219-V223 PolarHBondContact O-N 3.42Å; L220-V223 PolarHBondContact O-N 2.84Å; V223-Q225 VanDerWaalsContact C-N 3.29Å; V223-Q225 PolarHBondContact O-N 2.91Å
224	S	90.3	Very high	80	Confident	23 Å²	23	59 Å²	59	16%	0.161	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-26.7	179.6	61.4	0	0	0	0	112.9	R16 G131 L220 V221	R16-S224 WeakPolarHBondContact CB-O 3.39Å; R16-S224 VanDerWaalsContact CD-O 3.23Å; R16-S224 WeakPolarHBondContact CD-O 3.46Å; R16-S224 WeakPolarHBondContact CG-O 3.48Å; G131-S224 VanDerWaalsContact O-CB 3.3Å; G131-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 WeakPolarHBondContact O-CB 3.33Å; L220-S224 PolarHBondContact O-N 3.16Å; L220-S224 PolarHBondContact O-OG 2.81Å; V221-S224 PolarHBondContact O-OG 3.31Å
225	Q	90.3	Very high	77.5	Confident	120 Å²	120	66 Å²	66	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-77.2	-38.1	178.3	-70.2	176.6	15.4	0	0	112.5	R16 V221 V223 P227	R16-Q225 PolarHBondContact NH1-O 3.31Å; V221-Q225 VanDerWaalsContact O-CG 3.26Å; V221-Q225 WeakPolarHBondContact O-CG 3.43Å; V223-Q225 VanDerWaalsContact C-N 3.29Å; V223-Q225 PolarHBondContact O-N 2.91Å; Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.44Å
226	T	91.4	Very high	74.8	Confident	64 Å²	64	72.2 Å²	72.2	39%	0.393	43%	0.434	S	S	.	.	S	Bend	trans	-61.8	121	-174.2	-53.7	0	0	0	0	113.4	R16 A17 R222 A230	R16-T226 WeakPolarHBondContact CA-O 3.35Å; A17-T226 HydrophobicContact CB-CG2 4.48Å; A17-T226 WeakPolarHBondContact CB-O 3.26Å; A17-T226 PolarHBondContact N-O 3.47Å; R222-T226 PolarHBondContact O-OG1 2.79Å; T226-A230 HydrophobicContact CG2-CB 3.96Å
227	P	93.3	Very high	72.3	Confident	46 Å²	46	72.4 Å²	72.4	30%	0.299	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-65.2	150.8	170	-23.5	35.2	0	0	0	113.6	P13 V15 Q225 A229 A230	P13-P227 WeakPolarHBondContact O-CB 3.2Å; V15-P227 CarbonylContact O-C 3.59Å; V15-P227 WeakPolarHBondContact O-CA 3.49Å; Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-A229 PolarHBondContact O-N 3.3Å; P227-A230 HydrophobicContact CB-CB 4.33Å; P227-A230 WeakPolarHBondContact O-CB 3.45Å; P227-A230 PolarHBondContact O-N 3.01Å; P227-A230 VanDerWaalsContact O-N 3.13Å
228	I	92.9	Very high	70.1	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.036	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.9	178.8	-151.4	170.1	0	0	0	113.2	L12 V15 A17 K60 Q61 W63 A64	L12-I228 HydrophobicContact CD1-CG2 3.75Å; L12-I228 HydrophobicContact CG-CG2 4.28Å; L12-I228 WeakPolarHBondContact O-CG2 3.31Å; V15-I228 HydrophobicContact CB-CG2 3.93Å; V15-I228 HydrophobicContact CG1-CB 4.47Å; V15-I228 HydrophobicContact CG1-CD1 4.4Å; V15-I228 HydrophobicContact CG1-CG2 4.1Å; V15-I228 WeakPolarHBondContact O-CB 3.34Å; V15-I228 PolarHBondContact O-N 3.34Å; A17-I228 HydrophobicContact CB-CB 4.34Å; A17-I228 HydrophobicContact CB-CG1 4.33Å; K60-I228 VanDerWaalsContact C-CD1 3.48Å; K60-I228 HydrophobicContact CB-CD1 3.87Å; K60-I228 HydrophobicContact CB-CG1 3.87Å; K60-I228 VanDerWaalsContact O-CD1 3.23Å; K60-I228 WeakPolarHBondContact O-CD1 3.27Å; Q61-I228 HydrophobicContact CG-CG1 4.39Å; Q61-I228 VanDerWaalsContact CG-O 3.25Å; Q61-I228 WeakPolarHBondContact CG-O 3.37Å; Q61-I228 PolarHBondContact NE2-O 2.82Å; W63-I228 HydrophobicContact CE3-CD1 4.12Å; W63-I228 HydrophobicContact CZ3-CD1 4.19Å; A64-I228 HydrophobicContact CB-CD1 3.64Å; A64-I228 HydrophobicContact CB-CG2 4.27Å
229	A	87.3	Confident	68	Low	10 Å²	10	77.1 Å²	77.1	8%	0.083	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	10.4	171.6	0	0	0	0	0	113.2	P13 P227 G231 T232	P13-A229 HydrophobicContact CB-CB 4.26Å; P13-A229 HydrophobicContact CG-CB 4.3Å; P227-A229 PolarHBondContact O-N 3.3Å; A229-G231 PolarHBondContact O-N 3.22Å; A229-T232 PolarHBondContact O-N 3.17Å; A229-T232 PolarHBondContact O-OG1 3.11Å
230	A	68.1	Low	65.8	Low	66 Å²	66	81 Å²	81	55%	0.545	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	98.6	175.8	0	0	0	0	0	110.3	T226 P227	T226-A230 HydrophobicContact CG2-CB 3.96Å; P227-A230 HydrophobicContact CB-CB 4.33Å; P227-A230 WeakPolarHBondContact O-CB 3.45Å; P227-A230 PolarHBondContact O-N 3.01Å; P227-A230 VanDerWaalsContact O-N 3.13Å
231	G	53	Low	63.4	Low	81 Å²	81	85.4 Å²	85.4	84%	0.835	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	141	-34.1	-169.9	0	0	0	0	0	111.6	A229	A229-G231 PolarHBondContact O-N 3.22Å
232	T	47.6	Very low	61.2	Low	90 Å²	90	90.5 Å²	90.5	55%	0.552	53%	0.527	S	S	*	.			trans	-99.2	73.8	167.5	50.7	0	0	0	0	109.2	A229	A229-T232 PolarHBondContact O-N 3.17Å; A229-T232 PolarHBondContact O-OG1 3.11Å
233	G	37.7	Very low	59.1	Low	54 Å²	54	88.6 Å²	88.6	56%	0.557	54%	0.536	S	S	*	.			trans	-72.7	162.8	170.1	0	0	0	0	0	111.8	N235	G233-N235 PolarHBondContact O-N 2.68Å; G233-N235 VanDerWaalsContact O-N 3.16Å
234	P	44.5	Very low	56.3	Low	130 Å²	130	92.5 Å²	92.5	84%	0.844	57%	0.565	S	S	*	*	S	Bend	trans	-70.4	-6.2	-178.8	29.8	-36.1	0	0	0	114.2	F236	P234-F236 PolarHBondContact O-N 2.8Å
235	N	37.1	Very low	53.6	Low	159 Å²	159	96.8 Å²	96.8	85%	0.85	60%	0.595	S	S	*	*			trans	-80.3	55.5	178.5	-71.1	10.7	0	0	0	112.4	G233 S237	G233-N235 PolarHBondContact O-N 2.68Å; G233-N235 VanDerWaalsContact O-N 3.16Å; N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.25Å
236	F	35.5	Very low	51.1	Low	152 Å²	152	100.8 Å²	100.8	67%	0.667	61%	0.606	S	S	*	*			trans	-91.7	76.2	155.2	-158.2	-86.9	0	0	0	108.3	P234 L238	P234-F236 PolarHBondContact O-N 2.8Å; F236-L238 HydrophobicContact CD1-CD2 4.37Å; F236-L238 HydrophobicContact CD1-CG 4.34Å; F236-L238 HydrophobicContact CE1-CD2 3.98Å; F236-L238 HydrophobicContact CE1-CG 4.43Å; F236-L238 PolarHBondContact O-N 2.87Å
237	S	33.7	Very low	48.3	Very low	56 Å²	56	108.2 Å²	108.2	39%	0.392	63%	0.628	S	S	.	*			trans	-64.9	111.1	169.8	169.2	0	0	0	0	108.3	N235 S239 D240	N235-S237 VanDerWaalsContact C-N 3.31Å; N235-S237 PolarHBondContact O-N 3.25Å; S237-S239 PolarHBondContact O-N 2.88Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-D240 WeakPolarHBondContact CB-OD2 3.47Å; S237-D240 PolarHBondContact O-N 3.15Å; S237-D240 PolarHBondContact OG-OD2 3.49Å
238	L	39.1	Very low	45.5	Very low	133 Å²	133	111 Å²	111	70%	0.696	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-64	-14.8	177.6	-88.4	164.7	0	0	0	112.9	F236 D240	F236-L238 HydrophobicContact CD1-CD2 4.37Å; F236-L238 HydrophobicContact CD1-CG 4.34Å; F236-L238 HydrophobicContact CE1-CD2 3.98Å; F236-L238 HydrophobicContact CE1-CG 4.43Å; F236-L238 PolarHBondContact O-N 2.87Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 3.27Å
239	S	39.8	Very low	42.8	Very low	95 Å²	95	119.3 Å²	119.3	66%	0.664	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-69.7	-25.3	179.7	-55.6	0	0	0	0	114.1	S237 L241	S237-S239 PolarHBondContact O-N 2.88Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 3.12Å
240	D	42.7	Very low	40.2	Very low	130 Å²	130	124 Å²	124	70%	0.695	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-86.8	-1.4	-172.5	-62.3	-71	0	0	0	113.7	S237 L238	S237-D240 WeakPolarHBondContact CB-OD2 3.47Å; S237-D240 PolarHBondContact O-N 3.15Å; S237-D240 PolarHBondContact OG-OD2 3.49Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 3.27Å
241	L	40	Very low	39.1	Very low	132 Å²	132	127.3 Å²	127.3	69%	0.691	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-95.6	-12.5	-179.7	-166.7	56.7	0	0	0	114	S239	S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 3.12Å
242	E	41.8	Very low	38.1	Very low	181 Å²	181	127 Å²	127	85%	0.846	74%	0.735	S	S	*	*	S	Bend	trans	-96.8	8.2	179.2	-69.8	-162.5	117.8	0	0	114.4
243	S	44.4	Very low	37.4	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	75%	0.747	S	S	*	*			trans	-126.5	57.3	-178.9	-75.4	0	0	0	0	114.5
244	S	32	Very low	37.1	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	76%	0.758	S	S	*	*	S	Bend	trans	-149.2	83	152.4	-160.3	0	0	0	0	113.9	Y246	S244-Y246 PolarHBondContact O-N 2.67Å
245	S	34	Very low	36.7	Very low	112 Å²	112	135 Å²	135	78%	0.783	75%	0.751	S	S	*	*				49.3	69.2	125.6	-53.6	0	0	0	0	119.4
246	Y	36.4	Very low	36.4	Very low	205 Å²	205	136.7 Å²	136.7	80%	0.804	75%	0.745	S	S	*	*			trans	-148.8	68.5	151.9	-137.4	-84.7	0	0	0	115.1	S244	S244-Y246 PolarHBondContact O-N 2.67Å
247	Y	34	Very low	36.2	Very low	219 Å²	219	134.8 Å²	134.8	86%	0.859	75%	0.751	S	S	*	*			trans	-170.2	111.1	136.6	-99.3	-62.4	0	0	0	110.1
248	S	34.8	Very low	36.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.774	S	S	*	*			trans	-96.9	108.7	169.7	-179.2	0	0	0	0	109.5
249	M	35.9	Very low	36.5	Very low	182 Å²	182	139.1 Å²	139.1	90%	0.897	78%	0.776	S	S	*	*			trans	-150.8	140.4	157.5	-78.4	-55.3	154.2	0	0	109.3
250	S	32	Very low	36	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	78%	0.779	S	S	*	*			trans	-119.1	168.3	-176.7	-51.6	0	0	0	0	109.8
251	P	46.2	Very low	35.3	Very low	136 Å²	136	139.8 Å²	139.8	88%	0.883	79%	0.785	S	S	*	*				-112.1	154.2	-114.2	8.6	15.3	0	0	0	114.5
252	G	31.9	Very low	34.7	Very low	75 Å²	75	138.7 Å²	138.7	77%	0.773	79%	0.789	S	S	*	*			trans	-151.6	116.8	-179.8	0	0	0	0	0	116.4
253	A	31.1	Very low	34.1	Very low	98 Å²	98	134.9 Å²	134.9	81%	0.81	78%	0.782	S	S	*	*			trans	58.1	119.3	148.7	0	0	0	0	0	123.2
254	M	32.1	Very low	33.5	Very low	161 Å²	161	135.8 Å²	135.8	79%	0.793	78%	0.783	S	S	*	*			trans	70.8	105.6	131.1	-69.7	-85.4	-169.9	0	0	122.7
255	R	35.6	Very low	33.4	Very low	184 Å²	184	135.9 Å²	135.9	69%	0.694	78%	0.784	S	S	*	*				73.5	133.4	123.3	-80.3	-173.3	174.5	-102.9	6.6	123.5
256	R	32.2	Very low	33.4	Very low	193 Å²	193	135.8 Å²	135.8	73%	0.728	78%	0.783	S	S	*	*			trans	95.4	105.6	134.6	-86.5	-171.7	-81.9	-142.2	-0.4	121.5
257	S	31.1	Very low	33.1	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	79%	0.79	S	S	*	*				87.8	132.2	121.9	-59.5	0	0	0	0	122.6
258	L	35.2	Very low	33.4	Very low	166 Å²	166	132.2 Å²	132.2	87%	0.869	79%	0.789	S	S	*	*			trans	-63.1	172.5	159.8	-68.3	168.2	0	0	0	112
259	P	42.8	Very low	33.5	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	80%	0.796	S	S	*	*			cis	-148.7	-174.7	28.3	44	-22.4	0	0	0	119.7
260	S	30.1	Very low	33.3	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	80%	0.795	S	S	*	*			trans	-0.8	155	149.5	-41.7	0	0	0	0	120.2
261	T	27.1	Very low	33.5	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	80%	0.8	S	S	*	*				-164.9	170.4	54.5	47.5	0	0	0	0	116.1
262	S	28.4	Very low	32.7	Very low	108 Å²	108	140 Å²	140	76%	0.755	79%	0.791	S	S	*	*			trans	-51.8	158.8	169.5	-34.9	0	0	0	0	118.7
263	S	29.8	Very low	32.8	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	78%	0.783	S	S	*	*				140.8	134.4	110.4	75.9	0	0	0	0	120.3
264	T	30.1	Very low	32.9	Very low	126 Å²	126	144.2 Å²	144.2	77%	0.773	78%	0.781	S	S	*	*			trans	66.2	153.7	138.6	45.8	0	0	0	0	126.6
265	S	30.5	Very low	33.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	78%	0.776	S	S	*	*			trans	72	135.4	168	66.8	0	0	0	0	118
266	S	34.3	Very low	33.7	Very low	110 Å²	110	142 Å²	142	77%	0.769	78%	0.78	S	S	*	*			cis	100.1	113.3	18.3	-66.1	0	0	0	0	115.2
267	T	31	Very low	34.3	Very low	152 Å²	152	139.8 Å²	139.8	93%	0.933	78%	0.78	S	S	*	*			trans	178.1	-174.6	137.7	27.2	0	0	0	0	111.2
268	K	40.4	Very low	34.4	Very low	196 Å²	196	141 Å²	141	85%	0.852	78%	0.778	S	S	*	*			trans	-136.6	154.2	-167.5	-49.6	172.5	-177.7	172.5	0	112.3
269	R	34.9	Very low	35	Very low	229 Å²	229	138.1 Å²	138.1	86%	0.864	77%	0.771	S	S	*	*			trans	65.1	124.4	138.2	-167.2	-166.6	-158	-177.1	5.9	118.9
270	L	32.3	Very low	35.6	Very low	167 Å²	167	138.6 Å²	138.6	87%	0.874	77%	0.774	S	S	*	*				-178.9	-179.8	121.7	-95.2	164.9	0	0	0	112.1
271	K	37	Very low	35.8	Very low	199 Å²	199	136.9 Å²	136.9	87%	0.865	77%	0.773	S	S	*	*			trans	-157.9	136.2	-168.6	171.7	-173.8	173.7	-176.9	0	112.3
272	S	29.1	Very low	36.3	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	77%	0.772	S	S	*	*			trans	-161.2	153.3	158.1	-108.3	0	0	0	0	108.1
273	V	34.7	Very low	36.9	Very low	101 Å²	101	140.1 Å²	140.1	61%	0.612	77%	0.767	S	S	*	*				62.5	138.6	67.7	123	0	0	0	0	111	D275	V273-D275 VanDerWaalsContact CG2-OD2 3.3Å; V273-D275 WeakPolarHBondContact CG2-OD2 3.29Å
274	E	33.2	Very low	38	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	76%	0.764	S	S	*	*			cis	-129.8	158.4	15.2	45.4	-105.4	39.7	0	0	111.4
275	D	42.4	Very low	38.1	Very low	131 Å²	131	141 Å²	141	70%	0.701	76%	0.758	S	S	*	*			cis	75.5	142.1	33	-54.3	-69.4	0	0	0	112.9	V273	V273-D275 VanDerWaalsContact CG2-OD2 3.3Å; V273-D275 WeakPolarHBondContact CG2-OD2 3.29Å
276	E	41.9	Very low	38.2	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	76%	0.761	S	S	*	*			cis	-100.6	-146.2	8.1	-59.2	172.7	109.1	0	0	112.1
277	M	43.4	Very low	38	Very low	147 Å²	147	146.2 Å²	146.2	72%	0.724	76%	0.759	S	S	*	*			cis	-153.9	-163.9	4.3	-157.6	52.9	99.5	0	0	106.4
278	D	34.6	Very low	37.8	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	75%	0.748	S	S	*	*			cis	-163.9	163.2	6.2	-176.1	24.5	0	0	0	110.6
279	S	46.3	Very low	37.5	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	75%	0.754	S	S	*	*			trans	-177.2	154.5	172.2	-79	0	0	0	0	115.1
280	P	56.6	Low	37.2	Very low	122 Å²	122	135.7 Å²	135.7	79%	0.792	75%	0.752	S	S	*	*				-143.8	165.3	109.3	38.1	-24.6	0	0	0	113.3
281	G	33	Very low	37.3	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	76%	0.755	S	S	*	*			cis	-178	-168.2	5.6	0	0	0	0	0	108.5
282	E	38.4	Very low	37.1	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	75%	0.752	S	S	*	*			cis	-169.4	151.1	-12.4	54.4	-164.7	66	0	0	110.6
283	E	41.8	Very low	37.9	Very low	138 Å²	138	137 Å²	137	65%	0.645	76%	0.758	S	S	*	*			trans	45	157.2	149.2	-70.5	-74.9	77.4	0	0	124.9	F285	E283-F285 WeakPolarHBondContact OE1-CE2 3.3Å; E283-F285 VanDerWaalsContact OE2-CE2 3.3Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.39Å
284	P	52	Low	37.8	Very low	100 Å²	100	135.7 Å²	135.7	65%	0.649	77%	0.765	S	S	*	*			cis	-130.3	152.2	-16.8	23.3	-1	0	0	0	116.2
285	F	32.3	Very low	37.9	Very low	144 Å²	144	134.3 Å²	134.3	63%	0.632	77%	0.773	S	S	*	*			trans	34.5	143.9	147.2	-61	-70.9	0	0	0	122.8	E283	E283-F285 WeakPolarHBondContact OE1-CE2 3.3Å; E283-F285 VanDerWaalsContact OE2-CE2 3.3Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.39Å
286	Y	32.2	Very low	37.4	Very low	212 Å²	212	131.5 Å²	131.5	83%	0.831	78%	0.775	S	S	*	*			cis	-136.9	164.5	34.8	-109.7	-84.7	0	0	0	116.2
287	T	29.4	Very low	37.1	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	78%	0.78	S	S	*	*			trans	-67.5	172.1	171.7	50.1	0	0	0	0	112.6
288	G	28.8	Very low	36.8	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	79%	0.787	S	S	*	*			cis	140.9	99.8	-0.5	0	0	0	0	0	111.9
289	Q	33.6	Very low	36.7	Very low	209 Å²	209	130.8 Å²	130.8	98%	0.977	79%	0.793	S	S	*	*			trans	22.7	102.5	156.5	-160.4	169.8	18.7	0	0	119.1
290	G	29	Very low	36.5	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	80%	0.796	S	S	*	*			trans	-137.9	155.8	175.8	0	0	0	0	0	114.4
291	R	33.4	Very low	35.2	Very low	252 Å²	252	128.5 Å²	128.5	95%	0.951	79%	0.791	S	S	*	*			trans	-93.9	153.3	-178.8	-75.3	176.6	168.3	178.7	-4.1	112.8
292	S	33.8	Very low	35.2	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	80%	0.798	S	S	*	*			trans	-64.2	163.7	169.7	-40.6	0	0	0	0	113.1
293	P	45.5	Very low	35.2	Very low	127 Å²	127	135.4 Å²	135.4	83%	0.825	79%	0.794	S	S	*	*				-145.5	141.9	97.2	37	-22.1	0	0	0	116.8
294	G	31.5	Very low	34.7	Very low	73 Å²	73	136.9 Å²	136.9	75%	0.753	80%	0.801	S	S	*	*			trans	95.5	115	135.5	0	0	0	0	0	122.1
295	S	35	Very low	34	Very low	131 Å²	131	137.8 Å²	137.8	92%	0.916	80%	0.804	S	S	*	*			trans	94.5	127.9	138.2	-152.3	0	0	0	0	122.2
296	G	32.6	Very low	34	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	81%	0.812	S	S	*	*			trans	76.8	146	155.2	0	0	0	0	0	118.2
297	S	35.8	Very low	34.8	Very low	126 Å²	126	134.4 Å²	134.4	88%	0.881	81%	0.808	S	S	*	*			cis	-155	-178.9	-13	-162.5	0	0	0	0	110.6
298	Q	36.1	Very low	34.7	Very low	187 Å²	187	132 Å²	132	87%	0.874	81%	0.807	S	S	*	*			trans	-89.9	155.9	-169.7	-56.5	167.1	-6.2	0	0	114.9
299	S	33.7	Very low	35.1	Very low	124 Å²	124	137 Å²	137	87%	0.867	81%	0.814	S	S	*	*			trans	-156.7	165.1	138.7	66.7	0	0	0	0	110.9
300	S	41.6	Very low	35.4	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	81%	0.805	S	S	*	*			trans	-159.6	160.2	-167.5	57.2	0	0	0	0	113.9
301	G	29.4	Very low	35.8	Very low	66 Å²	66	133.9 Å²	133.9	68%	0.68	80%	0.8	S	S	*	*			trans	108.6	161.8	168	0	0	0	0	0	115.7
302	W	32.8	Very low	36.8	Very low	230 Å²	230	127.5 Å²	127.5	87%	0.871	79%	0.791	S	S	*	*			cis	-151.7	-168.9	-8.8	-99.7	109	0	0	0	109.8
303	H	37.9	Very low	36.6	Very low	158 Å²	158	128.3 Å²	128.3	73%	0.731	79%	0.791	S	S	*	*			trans	-73.5	-176.1	-174.5	-76.5	-131.7	0	0	0	112.8
304	E	33	Very low	36	Very low	168 Å²	168	127.9 Å²	127.9	79%	0.785	79%	0.787	S	S	*	*			cis	-174.8	172.1	44.5	-146.6	179.2	110.6	0	0	115.5
305	V	36.7	Very low	36.1	Very low	119 Å²	119	131.9 Å²	131.9	72%	0.721	79%	0.79	S	S	*	*			trans	54.5	111.8	164.2	-72.8	0	0	0	0	124.2
306	E	32.9	Very low	36.1	Very low	168 Å²	168	136 Å²	136	79%	0.785	79%	0.791	S	S	*	*				21.2	164.4	104.9	-77	-65.1	114.4	0	0	121.9
307	P	47.8	Very low	36	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	79%	0.789	S	S	*	*			cis	-133.7	174.9	-5	38.4	-21.1	0	0	0	116.3
308	G	26.9	Very low	36.1	Very low	67 Å²	67	139.1 Å²	139.1	69%	0.691	78%	0.782	S	S	*	*			trans	157.2	124.8	155.4	0	0	0	0	0	119.5
309	M	37.5	Very low	35.8	Very low	174 Å²	174	136.8 Å²	136.8	86%	0.857	77%	0.77	S	S	*	*			trans	-111.6	159.8	168.4	-83.9	-68.6	107.2	0	0	109.7
310	P	41.2	Very low	35.9	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	77%	0.768	S	S	*	*			cis	-149.1	-172.6	44.6	43	-21.5	0	0	0	118.1
311	S	36.2	Very low	35.4	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	77%	0.771	S	S	*	*			trans	-94.8	-170.9	169.4	-31.3	0	0	0	0	111.7
312	P	54.1	Low	35.4	Very low	118 Å²	118	140.4 Å²	140.4	77%	0.766	77%	0.773	S	S	*	*			cis	-133.7	163.8	-11.9	39.6	-23.2	0	0	0	116.2
313	T	30	Very low	35.4	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	77%	0.774	S	S	*	*			trans	-160.8	154.4	175.1	31.6	0	0	0	0	111.4
314	T	32.7	Very low	34.9	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	78%	0.775	S	S	*	*			cis	-162	155.2	-32.8	9.2	0	0	0	0	110.7
315	L	33.6	Very low	34.9	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	78%	0.775	S	S	*	*			trans	43.5	114.1	153.7	-67.9	169.2	0	0	0	121.6
316	K	36	Very low	34.9	Very low	216 Å²	216	134.6 Å²	134.6	94%	0.939	78%	0.78	S	S	*	*				-153.2	155	108.7	-130.3	175.1	-176.2	177.2	0	112.7
317	K	30.9	Very low	34.8	Very low	161 Å²	161	131.9 Å²	131.9	70%	0.7	78%	0.78	S	S	*	*			trans	-136.9	136.8	-167.5	167	-172.6	169.3	-178.1	0	111.5	E319	K317-E319 WeakPolarHBondContact CE-OE2 3.3Å; K317-E319 IonicContact NZ-OE2 2.73Å; K317-E319 PolarHBondContact NZ-OE2 2.76Å
318	S	38	Very low	34.6	Very low	105 Å²	105	132.3 Å²	132.3	73%	0.734	78%	0.783	S	S	*	*			trans	178	110.1	142.2	-168.2	0	0	0	0	106.3
319	E	29.3	Very low	34.7	Very low	137 Å²	137	134.4 Å²	134.4	64%	0.64	79%	0.786	S	S	*	*				51.8	123	80.9	-61.8	-157.8	75.2	0	0	113.7	K317	K317-E319 WeakPolarHBondContact CE-OE2 3.3Å; K317-E319 IonicContact NZ-OE2 2.73Å; K317-E319 PolarHBondContact NZ-OE2 2.76Å
320	K	34.7	Very low	34.4	Very low	188 Å²	188	134.8 Å²	134.8	82%	0.817	79%	0.786	S	S	*	*			cis	128.2	142.8	-2.3	178.8	177.9	175.8	-175.4	0	110.3
321	S	31.4	Very low	33.8	Very low	123 Å²	123	135.4 Å²	135.4	86%	0.86	79%	0.788	S	S	*	*			trans	86.6	150.3	171.9	79.1	0	0	0	0	116.5
322	G	30	Very low	33.5	Very low	69 Å²	69	135.3 Å²	135.3	71%	0.711	79%	0.787	S	S	*	*			cis	164.5	157	-12.9	0	0	0	0	0	115.3
323	F	32.2	Very low	32.5	Very low	207 Å²	207	134.9 Å²	134.9	91%	0.908	79%	0.787	S	S	*	*			trans	74.4	129.1	164.3	-94.7	-111	0	0	0	122
324	S	28.1	Very low	32.6	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	79%	0.792	S	S	*	*			trans	70.5	135.5	144	-64.1	0	0	0	0	123.9
325	S	32.7	Very low	32.5	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	79%	0.786	S	S	*	*			trans	-76.2	169.3	161.2	-45.6	0	0	0	0	112.2
326	P	37.6	Very low	32.5	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	79%	0.789	S	S	*	*				-139.9	166.7	110.6	39.4	-29.6	0	0	0	114.8
327	S	30.3	Very low	32.2	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	78%	0.78	S	S	*	*			trans	-90.7	156.1	170	-44.3	0	0	0	0	111.9
328	P	43.1	Very low	32.2	Very low	126 Å²	126	127.7 Å²	127.7	82%	0.818	78%	0.782	S	S	*	*			trans	-115.8	165.9	154.7	37.4	-28.5	0	0	0	112.6
329	S	29.6	Very low	31.9	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	78%	0.784	S	S	*	*			trans	-139	138.1	-173.4	-67.4	0	0	0	0	114.1
330	Q	31.8	Very low	32	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	78%	0.78	S	S	*	*			trans	68.4	171.4	155.2	-66.4	-161.7	81.3	0	0	120.7
331	T	27.3	Very low	31.9	Very low	135 Å²	135	125.9 Å²	125.9	83%	0.828	77%	0.773	S	S	*	*			trans	83.2	148.3	-174.4	72	0	0	0	0	117.6
332	S	30.6	Very low	32.1	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	77%	0.769	S	S	*	*				-173.3	128.9	-61.4	43.4	0	0	0	0	112.7
333	S	31.9	Very low	32.3	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	77%	0.774	S	S	*	*			trans	66.6	164	148.1	69.5	0	0	0	0	123.4
334	L	33.3	Very low	32.8	Very low	174 Å²	174	131.2 Å²	131.2	91%	0.911	77%	0.77	S	S	*	*			trans	82.7	136.5	173.6	-58	166.2	0	0	0	117.6
335	G	30.1	Very low	32.9	Very low	59 Å²	59	131.5 Å²	131.5	61%	0.608	77%	0.767	S	S	*	*			cis	178.8	178	-5.1	0	0	0	0	0	114.7
336	T	34.3	Very low	33	Very low	144 Å²	144	134 Å²	134	88%	0.883	77%	0.769	S	S	*	*			trans	68.6	132.6	-178.8	69.4	0	0	0	0	117.4
337	A	29.6	Very low	32.8	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	77%	0.768	S	S	*	*			cis	86.6	140.4	25.9	0	0	0	0	0	114.4
338	F	31.1	Very low	32.8	Very low	165 Å²	165	132.1 Å²	132.1	72%	0.724	77%	0.765	S	S	*	*			cis	-150.4	166.6	-0.2	-142.8	-127.6	0	0	0	107.2	Q340	F338-Q340 HydrophobicContact CE1-CG 4.14Å
339	T	31	Very low	32.8	Very low	129 Å²	129	132.2 Å²	132.2	79%	0.791	77%	0.766	S	S	*	*				-170	163	81.6	39.3	0	0	0	0	113.7
340	Q	30.9	Very low	32.9	Very low	117 Å²	117	138.7 Å²	138.7	55%	0.547	77%	0.773	S	S	.	*			trans	-81	167.2	173.9	-59.7	168	9.5	0	0	110.6	F338	F338-Q340 HydrophobicContact CE1-CG 4.14Å
341	H	34	Very low	32.7	Very low	145 Å²	145	135 Å²	135	67%	0.671	77%	0.774	S	S	*	*				174.6	165	76.6	-72.2	-79.9	0	0	0	107
342	H	33.9	Very low	32.9	Very low	166 Å²	166	133.8 Å²	133.8	77%	0.769	77%	0.771	S	S	*	*			cis	-162.3	-163.2	-9.5	-110.8	-24	0	0	0	109.7
343	R	34.8	Very low	33.5	Very low	220 Å²	220	134.4 Å²	134.4	83%	0.83	77%	0.773	S	S	*	*			trans	-121.5	161.7	171.5	-101.7	-173.4	177.3	-178.5	-0.6	110.9
344	P	42.8	Very low	33.4	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	78%	0.775	S	S	*	*			trans	-106.5	155.2	147.9	32.8	-22.8	0	0	0	112.6
345	V	29.9	Very low	33.1	Very low	113 Å²	113	134 Å²	134	69%	0.685	77%	0.771	S	S	*	*			trans	-142.8	140.1	174.5	171.8	0	0	0	0	108.1
346	I	35.8	Very low	33.3	Very low	164 Å²	164	137 Å²	137	84%	0.841	78%	0.778	S	S	*	*			trans	-133.7	151.8	170.4	-64	-176.6	0	0	0	109
347	T	31.9	Very low	33.5	Very low	132 Å²	132	135.5 Å²	135.5	81%	0.81	77%	0.77	S	S	*	*			trans	-97.4	168.4	-166.3	44.1	0	0	0	0	114.5
348	G	30	Very low	33.5	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	78%	0.777	S	S	*	*			trans	-79.7	-162.3	-177.9	0	0	0	0	0	115.4
349	P	43.8	Very low	33.5	Very low	127 Å²	127	135.2 Å²	135.2	83%	0.825	78%	0.778	S	S	*	*				-150.7	157.4	66.5	40.8	-22.3	0	0	0	119.4
350	R	31.6	Very low	33.5	Very low	247 Å²	247	135.5 Å²	135.5	93%	0.932	77%	0.774	S	S	*	*			trans	35.6	111.1	137.3	-167.3	-175.3	-169	175.7	4	121
351	A	28.7	Very low	33.5	Very low	104 Å²	104	138.9 Å²	138.9	86%	0.86	79%	0.79	S	S	*	*			trans	-152.6	152.4	141.4	0	0	0	0	0	111.5
352	S	30.5	Very low	33.4	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	79%	0.792	S	S	*	*			trans	-154.5	148.8	171.2	-175.2	0	0	0	0	108.2
353	P	42.8	Very low	33.2	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	79%	0.794	S	S	*	*				-147.2	152.4	107.9	35.4	-18.9	0	0	0	116.5
354	H	29.7	Very low	33	Very low	173 Å²	173	133.2 Å²	133.2	80%	0.801	79%	0.791	S	S	*	*			trans	31.9	120.1	145.8	-67.3	-86.8	0	0	0	122.3
355	A	28	Very low	32.6	Very low	101 Å²	101	132.1 Å²	132.1	84%	0.835	79%	0.786	S	S	*	*				-144.6	145.8	126.6	0	0	0	0	0	109.4
356	T	33.3	Very low	33.2	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	79%	0.793	S	S	*	*			trans	-128.2	174.8	-179.8	57	0	0	0	0	109.6
357	P	40.1	Very low	33.3	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	79%	0.79	S	S	*	*			trans	-82.7	174.8	-143.4	35.8	-39.8	0	0	0	115
358	S	28.3	Very low	33.3	Very low	128 Å²	128	133.4 Å²	133.4	90%	0.895	79%	0.789	S	S	*	*			trans	-135.8	123.3	161.9	-70.7	0	0	0	0	110
359	T	31.6	Very low	33.4	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	79%	0.792	S	S	*	*			trans	-100.6	156.3	-175.2	-62.5	0	0	0	0	110.8
360	L	31.5	Very low	32.8	Very low	134 Å²	134	140 Å²	140	70%	0.702	79%	0.791	S	S	*	*			trans	-33.4	143.4	171.9	-64	162.4	0	0	0	115.4	F362	L360-F362 HydrophobicContact CB-CE2 4.18Å; L360-F362 HydrophobicContact CD1-CE2 4.13Å; L360-F362 HydrophobicContact CD1-CZ 4.41Å
361	H	29.9	Very low	32.9	Very low	188 Å²	188	134.2 Å²	134.2	87%	0.87	79%	0.785	S	S	*	*			trans	-122.1	131	160	-121.2	-87.3	0	0	0	109.8
362	F	32.3	Very low	33.1	Very low	164 Å²	164	132.1 Å²	132.1	72%	0.719	77%	0.774	S	S	*	*			trans	-108.1	148.9	174.7	-69.4	-96	0	0	0	110.6	L360	L360-F362 HydrophobicContact CB-CE2 4.18Å; L360-F362 HydrophobicContact CD1-CE2 4.13Å; L360-F362 HydrophobicContact CD1-CZ 4.41Å
363	P	30.8	Very low	33.5	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	78%	0.778	S	S	*	*			trans	-96.1	153.8	150.8	35.2	-28.7	0	0	0	111
364	T	30.1	Very low	33.3	Very low	123 Å²	123	138.8 Å²	138.8	76%	0.755	79%	0.786	S	S	*	*			trans	-123.7	120	-160.5	-56.7	0	0	0	0	113.8
365	S	33.7	Very low	33.5	Very low	102 Å²	102	140.4 Å²	140.4	71%	0.713	79%	0.791	S	S	*	*			trans	67.6	166.7	154.3	-66	0	0	0	0	118
366	P	43.8	Very low	33.7	Very low	128 Å²	128	141 Å²	141	83%	0.831	79%	0.79	S	S	*	*			cis	-122.2	172.8	8.1	41.6	-27.4	0	0	0	117.8
367	I	37.9	Very low	33.8	Very low	153 Å²	153	142.8 Å²	142.8	79%	0.785	79%	0.789	S	S	*	*			trans	-79.7	137.3	-172.4	-65.4	148	0	0	0	112.4
368	I	31.3	Very low	33.8	Very low	154 Å²	154	143.9 Å²	143.9	79%	0.79	80%	0.797	S	S	*	*				-173.9	139.2	129.1	-98.3	162.9	0	0	0	112.9
369	Q	32.6	Very low	34.5	Very low	163 Å²	163	142.1 Å²	142.1	76%	0.762	79%	0.79	S	S	*	*			trans	-7.9	122.8	168.8	-57.9	168.9	-9.6	0	0	121.2
370	Q	30.6	Very low	34.9	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.804	78%	0.784	S	S	*	*				-163.8	135.8	125	-82.1	-40.1	-65.5	0	0	110.7
371	P	34.3	Very low	35.7	Very low	125 Å²	125	146 Å²	146	81%	0.812	79%	0.789	S	S	*	*			trans	-93.8	107.5	170.8	33.4	-28.9	0	0	0	112.5
372	G	33	Very low	36.2	Very low	61 Å²	61	147.1 Å²	147.1	63%	0.629	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.3	161.9	169.5	0	0	0	0	0	113.3
373	P	38.5	Very low	36.6	Very low	134 Å²	134	147.7 Å²	147.7	87%	0.87	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.3	142.5	-168.6	29.4	-35.6	0	0	0	114.3
374	Y	38	Very low	36.9	Very low	228 Å²	228	146.5 Å²	146.5	89%	0.894	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-68.2	154.2	172.7	-98.5	-104.8	0	0	0	113.1	S376	Y374-S376 PolarHBondContact O-N 3.24Å
375	F	34.5	Very low	37.3	Very low	207 Å²	207	147.3 Å²	147.3	91%	0.908	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.4	172.5	-98.3	-110	0	0	0	112.5
376	S	32.3	Very low	37.6	Very low	114 Å²	114	151.2 Å²	151.2	80%	0.797	79%	0.786	S	S	*	*			trans	-88.8	107.5	179.2	57.1	0	0	0	0	112.6	Y374	Y374-S376 PolarHBondContact O-N 3.24Å
377	H	35	Very low	37.7	Very low	159 Å²	159	150.1 Å²	150.1	74%	0.736	78%	0.777	S	S	*	*			trans	-74.5	127.5	166.5	-84.5	-76.5	0	0	0	110.9	A379	H377-A379 PolarHBondContact O-N 2.85Å
378	P	40.7	Very low	37.9	Very low	137 Å²	137	147.4 Å²	147.4	89%	0.89	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	9.5	-173.1	31.2	-37.1	0	0	0	115.1
379	A	42.5	Very low	38.4	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-13.7	-169.3	0	0	0	0	0	115.2	H377	H377-A379 PolarHBondContact O-N 2.85Å
380	I	39.8	Very low	38.8	Very low	123 Å²	123	149.4 Å²	149.4	63%	0.631	77%	0.767	S	S	*	*			trans	-122.5	121.7	-177.7	-55.4	178.4	0	0	0	109.1	Y382	I380-Y382 HydrophobicContact CG2-CD2 4.06Å; I380-Y382 HydrophobicContact CG2-CE2 3.79Å
381	R	49	Very low	39.3	Very low	214 Å²	214	148.5 Å²	148.5	81%	0.808	76%	0.76	S	S	*	*			trans	-114.4	111	168.9	-72.5	-173.1	178.3	-167.9	-1.9	109.1
382	Y	39.2	Very low	39.9	Very low	211 Å²	211	148 Å²	148	83%	0.827	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-70.6	148.6	160.9	-74.3	-89.3	0	0	0	109.7	I380	I380-Y382 HydrophobicContact CG2-CD2 4.06Å; I380-Y382 HydrophobicContact CG2-CE2 3.79Å
383	H	41.3	Very low	40.6	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.815	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-83.9	132.7	175	-162.4	70.3	0	0	0	109	Q385	H383-Q385 PolarHBondContact O-N 3.49Å
384	P	36.4	Very low	41	Very low	102 Å²	102	153.6 Å²	153.6	66%	0.662	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.4	175.3	28.3	-33.1	0	0	0	110	E386	P384-E386 PolarHBondContact O-N 3.47Å; P384-E386 VanDerWaalsContact O-N 3.15Å
385	Q	38.3	Very low	41.2	Very low	139 Å²	139	147.9 Å²	147.9	65%	0.65	75%	0.746	S	S	*	*			trans	-91.1	68.7	-167.5	-166.1	-177.9	28.4	0	0	112.9	H383 T387 L388	H383-Q385 PolarHBondContact O-N 3.49Å; Q385-T387 PolarHBondContact O-N 2.76Å; Q385-T387 VanDerWaalsContact O-N 3.12Å; Q385-L388 HydrophobicContact CG-CG 4.34Å
386	E	41.6	Very low	41.4	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	83	169.6	-61.8	-142.4	135.9	0	0	110.5	P384	P384-E386 PolarHBondContact O-N 3.47Å; P384-E386 VanDerWaalsContact O-N 3.15Å
387	T	45.5	Very low	41.8	Very low	104 Å²	104	143.3 Å²	143.3	64%	0.638	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.5	-24	168.6	-1.1	0	0	0	0	114.7	Q385 K389	Q385-T387 PolarHBondContact O-N 2.76Å; Q385-T387 VanDerWaalsContact O-N 3.12Å; T387-K389 VanDerWaalsContact C-N 3.27Å; T387-K389 PolarHBondContact O-N 2.94Å
388	L	42.5	Very low	41.7	Very low	96 Å²	96	143.5 Å²	143.5	50%	0.503	74%	0.742	S	S	.	*	H	α-helix	trans	-71.3	-11.2	-173.5	-74.9	-172.9	0	0	0	115.9	Q385 E390	Q385-L388 HydrophobicContact CG-CG 4.34Å; L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 2.64Å
389	K	40.5	Very low	41.4	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	74%	0.735	S	S	*	*	H	α-helix	trans	-68.5	-27	179.3	-79.5	-172.6	174.2	179.3	0	113.8	T387	T387-K389 VanDerWaalsContact C-N 3.27Å; T387-K389 PolarHBondContact O-N 2.94Å
390	E	41.3	Very low	40.9	Very low	162 Å²	162	140.2 Å²	140.2	76%	0.757	73%	0.733	S	S	*	*	H	α-helix	trans	-82.3	-31.7	-178.9	-62.1	-175.4	156.8	0	0	112.2	L388 V392 Q393	L388-E390 VanDerWaalsContact C-N 3.31Å; L388-E390 PolarHBondContact O-N 2.64Å; E390-V392 PolarHBondContact O-N 2.84Å; E390-Q393 PolarHBondContact O-N 3.12Å
391	F	40.9	Very low	40.6	Very low	153 Å²	153	143.3 Å²	143.3	67%	0.671	75%	0.745	S	S	*	*	H	α-helix	trans	-73.5	-27.8	-174.7	-142.3	-89.7	0	0	0	113.6	Q393	F391-Q393 VanDerWaalsContact C-N 3.34Å
392	V	47.3	Very low	39.8	Very low	116 Å²	116	141.8 Å²	141.8	70%	0.703	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-74.6	-25.9	178.2	-180	0	0	0	0	111.8	E390 L394	E390-V392 PolarHBondContact O-N 2.84Å; V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.82Å
393	Q	48.2	Very low	39.3	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-75.4	-13.4	-177.9	-156.3	69.6	51.4	0	0	113.5	E390 F391	E390-Q393 PolarHBondContact O-N 3.12Å; F391-Q393 VanDerWaalsContact C-N 3.34Å
394	L	45.5	Very low	38.7	Very low	152 Å²	152	132.2 Å²	132.2	80%	0.796	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-100.6	-6.5	-170.9	-157.6	67.1	0	0	0	114.5	V392	V392-L394 VanDerWaalsContact C-N 3.27Å; V392-L394 PolarHBondContact O-N 2.82Å
395	V	43.1	Very low	38.4	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.655	76%	0.759	S	S	*	*	S	Bend	trans	-105.5	-12	-172.6	-172.3	0	0	0	0	113
396	C	38.4	Very low	38	Very low	100 Å²	100	136.4 Å²	136.4	68%	0.676	77%	0.77	S	S	*	*			trans	-132.5	101.9	176.9	-69.2	0	0	0	0	111.2	D398	C396-D398 PolarHBondContact O-N 2.82Å
397	P	40.7	Very low	37.4	Very low	124 Å²	124	131.3 Å²	131.3	81%	0.805	77%	0.766	S	S	*	*			trans	-75.5	101.7	165.3	30.4	-30.9	0	0	0	109.3	A399	P397-A399 PolarHBondContact O-N 3.11Å
398	D	32.9	Very low	36.7	Very low	164 Å²	164	136.1 Å²	136.1	88%	0.877	78%	0.779	S	S	*	*			trans	-71.5	119.9	170.2	-165	-70.6	0	0	0	109.5	C396	C396-D398 PolarHBondContact O-N 2.82Å
399	A	34.8	Very low	36.1	Very low	91 Å²	91	139.5 Å²	139.5	75%	0.752	80%	0.797	S	S	*	*			trans	-142.6	82.3	-173.1	0	0	0	0	0	111.7	P397	P397-A399 PolarHBondContact O-N 3.11Å
400	G	32.7	Very low	35.7	Very low	68 Å²	68	137.1 Å²	137.1	70%	0.701	79%	0.793	S	S	*	*			trans	63.2	109	143.6	0	0	0	0	0	118.2	Q402	G400-Q402 PolarHBondContact O-N 3.02Å
401	Q	33.4	Very low	36.1	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	79%	0.788	S	S	*	*			trans	-64.1	128.4	160.5	-60.6	175.5	5.6	0	0	110.7
402	Q	30.7	Very low	35.6	Very low	182 Å²	182	134.9 Å²	134.9	85%	0.85	80%	0.799	S	S	*	*				179.5	141.6	114.6	-96.9	176.1	24.3	0	0	114.1	G400	G400-Q402 PolarHBondContact O-N 3.02Å
403	A	29.3	Very low	34.7	Very low	105 Å²	105	132.9 Å²	132.9	87%	0.868	80%	0.802	S	S	*	*			trans	48.2	123.1	153.4	0	0	0	0	0	121.3
404	G	28.9	Very low	34.1	Very low	80 Å²	80	130.9 Å²	130.9	83%	0.825	81%	0.806	S	S	*	*			trans	168.7	79	164.8	0	0	0	0	0	118.3
405	Q	29.8	Very low	33.5	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	81%	0.81	S	S	*	*			trans	26.9	120.4	148.4	-80.5	-176.6	-7.6	0	0	123.3
406	V	30	Very low	33.1	Very low	145 Å²	145	134.2 Å²	134.2	88%	0.879	82%	0.824	S	S	*	*			trans	32.2	134.9	137.4	-61.4	0	0	0	0	123
407	G	30.1	Very low	32.8	Very low	77 Å²	77	133 Å²	133	79%	0.794	83%	0.829	S	S	*	*			trans	-179.6	123.3	159.4	0	0	0	0	0	113.2
408	F	30.8	Very low	32.7	Very low	205 Å²	205	137.3 Å²	137.3	90%	0.899	84%	0.835	S	S	*	*			trans	-92.4	143.3	173.2	-80.2	-116	0	0	0	110.6
409	L	29.3	Very low	32.8	Very low	168 Å²	168	136.9 Å²	136.9	88%	0.88	84%	0.838	S	S	*	*				165.7	161.5	110.5	-86.7	178.5	0	0	0	112.7
410	N	30.7	Very low	32.6	Very low	146 Å²	146	141 Å²	141	78%	0.781	84%	0.841	S	S	*	*			trans	-147.4	168.1	-179.9	-153.7	29.5	0	0	0	106.1
411	P	51.1	Low	32.7	Very low	101 Å²	101	144.8 Å²	144.8	66%	0.656	85%	0.845	S	S	*	*			cis	-125.6	-174.2	-32.8	35.7	-19.3	0	0	0	112.9
412	N	30.8	Very low	33.4	Very low	168 Å²	168	140 Å²	140	90%	0.898	83%	0.831	S	S	*	*			trans	75.7	145.6	149.9	-159.8	23.9	0	0	0	119.1
413	G	28.1	Very low	33.6	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	83%	0.831	S	S	*	*			trans	154.6	111.6	175.8	0	0	0	0	0	113.8
414	S	34.9	Very low	34	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	83%	0.832	S	S	*	*			trans	-106.6	133	-177	58.2	0	0	0	0	113.4
415	S	32.1	Very low	34.5	Very low	127 Å²	127	145.9 Å²	145.9	89%	0.888	83%	0.831	S	S	*	*			trans	-156.2	165.6	160.9	63.7	0	0	0	0	112.3
416	Q	35.8	Very low	35.1	Very low	203 Å²	203	142.1 Å²	142.1	95%	0.949	82%	0.821	S	S	*	*			trans	-85.5	146.7	-170.5	-63.3	175	-18.5	0	0	113.2
417	G	31.8	Very low	36	Very low	75 Å²	75	141 Å²	141	77%	0.773	82%	0.817	S	S	*	*			trans	-153.8	124	167.9	0	0	0	0	0	112.4
418	K	39.6	Very low	37	Very low	214 Å²	214	144.8 Å²	144.8	93%	0.93	82%	0.815	S	S	*	*			trans	-77.6	129.8	171.6	-76.5	177.5	175	175	0	110.1
419	V	34.1	Very low	38.1	Very low	155 Å²	155	142.7 Å²	142.7	94%	0.939	81%	0.813	S	S	*	*			trans	-149	163.4	151.8	-110.5	0	0	0	0	111.2
420	H	30.5	Very low	39.8	Very low	177 Å²	177	139.9 Å²	139.9	82%	0.819	81%	0.805	S	S	*	*			trans	-94	148.6	-166.4	-155.1	79.3	0	0	0	111.7
421	N	35.4	Very low	41.3	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	80%	0.804	S	S	*	*			trans	-144.3	121	167	-178.2	12.5	0	0	0	108.3	F423	N421-F423 PolarHBondContact OD1-N 2.88Å
422	P	47.2	Very low	41.6	Very low	89 Å²	89	139.3 Å²	139.3	58%	0.578	81%	0.809	S	S	*	*				-140.6	137.5	120	21.6	-1.5	0	0	0	114.9
423	F	34.3	Very low	42.9	Very low	197 Å²	197	136.8 Å²	136.8	86%	0.864	80%	0.802	S	S	*	*			trans	50.8	124.2	145.6	-67.4	-78.2	0	0	0	121.4	N421	N421-F423 PolarHBondContact OD1-N 2.88Å
424	L	37.9	Very low	44.5	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.4	139.1	164.8	-63.9	167.3	0	0	0	111.2
425	P	40.7	Very low	45.5	Very low	125 Å²	125	138.5 Å²	138.5	81%	0.812	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.6	126.3	178.1	31.7	-33.3	0	0	0	112.4
426	T	40.8	Very low	46.8	Very low	106 Å²	106	138.5 Å²	138.5	65%	0.65	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-77.9	139.4	165.1	30.8	0	0	0	0	111	M428	T426-M428 PolarHBondContact O-N 2.77Å; T426-M428 VanDerWaalsContact O-N 3.12Å
427	P	48.9	Very low	47.6	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	79%	0.792	S	S	*	*			trans	-71.8	106.6	173.1	29	-32.7	0	0	0	109.9	L429	P427-L429 PolarHBondContact O-N 3.44Å
428	M	53.1	Low	48.2	Very low	156 Å²	156	138.7 Å²	138.7	77%	0.768	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.3	126.8	172.3	-71.6	-70.5	101.3	0	0	110.5	T426	T426-M428 PolarHBondContact O-N 2.77Å; T426-M428 VanDerWaalsContact O-N 3.12Å
429	L	53.4	Low	48.7	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.2	142.5	166.4	-70.7	169.6	0	0	0	109.6	P427	P427-L429 PolarHBondContact O-N 3.44Å
430	P	65.1	Low	49.1	Very low	110 Å²	110	138.1 Å²	138.1	71%	0.714	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.1	150.4	175.4	28.3	-34.7	0	0	0	111.1
431	P	61.2	Low	49.9	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.9	150.4	178.7	27.9	-35.1	0	0	0	111.6
432	P	56.7	Low	50.3	Low	117 Å²	117	134.3 Å²	134.3	76%	0.76	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.9	149.7	177.7	28.7	-35.3	0	0	0	111.6
433	P	59.3	Low	50.1	Low	115 Å²	115	137.3 Å²	137.3	75%	0.747	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.5	150.7	178.1	28.2	-35.2	0	0	0	111.8
434	P	61.2	Low	50.3	Low	115 Å²	115	133.9 Å²	133.9	75%	0.747	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-65.3	153.1	177.4	28.3	-35.2	0	0	0	111.8
435	P	57.3	Low	50.8	Low	112 Å²	112	131.9 Å²	131.9	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.9	148.3	178.2	28.3	-35.3	0	0	0	111.6	M437	P435-M437 PolarHBondContact O-N 3.27Å
436	P	58	Low	50.7	Low	128 Å²	128	131.4 Å²	131.4	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64.5	123.6	-179.3	26.3	-34.2	0	0	0	111.1	A438	P436-A438 PolarHBondContact O-N 3.48Å
437	M	52.6	Low	50.8	Low	183 Å²	183	134.1 Å²	134.1	90%	0.901	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.9	131.4	173.2	-66.5	174.3	67.2	0	0	110.2	P435 R439	P435-M437 PolarHBondContact O-N 3.27Å; M437-R439 PolarHBondContact O-N 3.31Å
438	A	44.4	Very low	50.2	Low	99 Å²	99	134 Å²	134	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.6	174.9	0	0	0	0	0	110.2	P436	P436-A438 PolarHBondContact O-N 3.48Å
439	R	51	Low	49.3	Very low	232 Å²	232	136.1 Å²	136.1	88%	0.875	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.3	139.2	170.6	-77.9	-175.8	171.4	-176.7	-2.6	109.8	M437 V441	M437-R439 PolarHBondContact O-N 3.31Å; R439-V441 PolarHBondContact O-N 3.46Å
440	P	42.8	Very low	48.7	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.9	135.9	169	-23.9	34.2	0	0	0	111.2
441	V	46.7	Very low	47.8	Very low	124 Å²	124	133.5 Å²	133.5	75%	0.752	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82.1	124.9	171.5	177.9	0	0	0	0	108.2	R439 L443	R439-V441 PolarHBondContact O-N 3.46Å; V441-L443 PolarHBondContact O-N 3.35Å
442	P	42.9	Very low	46.5	Very low	119 Å²	119	135 Å²	135	77%	0.773	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.9	126.7	172.7	-21.4	33.6	0	0	0	110.8
443	L	44	Very low	45.5	Very low	152 Å²	152	135.3 Å²	135.3	80%	0.796	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.6	168.6	-66.7	173.8	0	0	0	109.4	V441 V445	V441-L443 PolarHBondContact O-N 3.35Å; L443-V445 PolarHBondContact O-N 3.42Å
444	P	38.8	Very low	44.2	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63	130.8	172.7	-20.3	32.6	0	0	0	111.1
445	V	47.3	Very low	43	Very low	126 Å²	126	134.7 Å²	134.7	76%	0.764	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.2	141.9	170.4	-69.2	0	0	0	0	110.5	L443 D447	L443-V445 PolarHBondContact O-N 3.42Å; V445-D447 PolarHBondContact O-N 3.38Å
446	P	39.7	Very low	42.1	Very low	115 Å²	115	138.3 Å²	138.3	75%	0.747	80%	0.797	S	S	*	*			trans	-83.2	105.1	174.8	31.8	-31.7	0	0	0	110.7	T448	P446-T448 PolarHBondContact O-N 3.3Å; P446-T448 PolarHBondContact O-OG1 3.46Å
447	D	41.7	Very low	41	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	79%	0.794	S	S	*	*			trans	-64.4	131.3	176.4	-124	-45.7	0	0	0	111.3	V445	V445-D447 PolarHBondContact O-N 3.38Å
448	T	36.5	Very low	40	Very low	120 Å²	120	131.2 Å²	131.2	74%	0.736	79%	0.794	S	S	*	*			trans	-138.8	102	-173.8	-54.8	0	0	0	0	110.9	P446	P446-T448 PolarHBondContact O-N 3.3Å; P446-T448 PolarHBondContact O-OG1 3.46Å
449	K	34.4	Very low	39.5	Very low	199 Å²	199	131.4 Å²	131.4	87%	0.865	80%	0.795	S	S	*	*			trans	-151.3	118.5	167.5	-166.9	174.5	-178	-178	0	113.8
450	P	41.1	Very low	38.7	Very low	104 Å²	104	124.9 Å²	124.9	68%	0.675	79%	0.791	S	S	*	*			trans	-102.6	-172.3	165.7	41	-34.1	0	0	0	110.9
451	P	46.8	Very low	38.4	Very low	113 Å²	113	124.6 Å²	124.6	73%	0.734	79%	0.792	S	S	*	*			cis	-125.7	166.7	-29.6	33.2	-18	0	0	0	113.4
452	T	34.1	Very low	39.2	Very low	149 Å²	149	124 Å²	124	91%	0.914	79%	0.791	S	S	*	*			trans	-145.9	158.6	147.6	33.3	0	0	0	0	109.9
453	T	35.3	Very low	38.8	Very low	123 Å²	123	125.2 Å²	125.2	76%	0.755	80%	0.796	S	S	*	*			trans	-115.1	177.9	-161.3	50.1	0	0	0	0	114.5
454	S	32.7	Very low	38.6	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	80%	0.795	S	S	*	*			trans	77.8	142.7	163.4	-1.2	0	0	0	0	115.4
455	T	35.8	Very low	39.4	Very low	111 Å²	111	122.7 Å²	122.7	68%	0.681	79%	0.792	S	S	*	*			cis	-152.5	165.1	-4.9	-25.3	0	0	0	0	108.8
456	E	37.8	Very low	38.7	Very low	189 Å²	189	122.4 Å²	122.4	88%	0.883	79%	0.79	S	S	*	*			trans	32.3	148.2	156.1	-73	159.3	118.8	0	0	122.2
457	G	33.9	Very low	38.4	Very low	74 Å²	74	127.1 Å²	127.1	76%	0.763	80%	0.795	S	S	*	*			cis	150.4	156.5	4.1	0	0	0	0	0	111
458	G	33	Very low	37.9	Very low	87 Å²	87	123.3 Å²	123.3	90%	0.897	78%	0.781	S	S	*	*			trans	86.6	147.1	169.3	0	0	0	0	0	117.1
459	A	34.4	Very low	37.8	Very low	104 Å²	104	123.3 Å²	123.3	86%	0.86	78%	0.78	S	S	*	*			trans	-147.1	149.8	174.9	0	0	0	0	0	109.7
460	A	32.9	Very low	38.6	Very low	94 Å²	94	119.4 Å²	119.4	78%	0.777	78%	0.775	S	S	*	*			trans	176.4	95.8	149.7	0	0	0	0	0	114.2
461	S	36.1	Very low	38	Very low	119 Å²	119	120.3 Å²	120.3	83%	0.832	78%	0.784	S	S	*	*			trans	47.4	-156.8	130.8	-46.7	0	0	0	0	118.9
462	P	64.3	Low	37.5	Very low	113 Å²	113	121.4 Å²	121.4	73%	0.734	79%	0.789	S	S	*	*				-133.3	166.1	-112.9	38.8	-19	0	0	0	117
463	T	35.5	Very low	37.8	Very low	144 Å²	144	119.3 Å²	119.3	88%	0.883	78%	0.781	S	S	*	*			trans	-157	145.3	149.4	-6.4	0	0	0	0	113.9
464	S	39.8	Very low	38.6	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	78%	0.783	S	S	*	*			trans	-134.7	160.5	164.1	-71.9	0	0	0	0	104.7
465	P	53.8	Low	38.7	Very low	114 Å²	114	118 Å²	118	74%	0.74	78%	0.778	S	S	*	*			cis	-154.3	161.3	48.4	39	-15.7	0	0	0	120.1
466	T	34.2	Very low	38.6	Very low	119 Å²	119	120 Å²	120	73%	0.73	78%	0.784	S	S	*	*			trans	42.2	122	132.1	-45.9	0	0	0	0	122.8
467	Y	33	Very low	38.7	Very low	215 Å²	215	122.5 Å²	122.5	84%	0.843	79%	0.786	S	S	*	*				-169.3	147.2	111.4	-123.4	-92.9	0	0	0	116.6
468	S	29.7	Very low	38.6	Very low	83 Å²	83	128.1 Å²	128.1	58%	0.58	79%	0.789	S	S	*	*			trans	37.8	113	159.9	-81.8	0	0	0	0	126.5
469	T	34.7	Very low	38.7	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	78%	0.78	S	S	*	*				30.6	160.6	104	66.1	0	0	0	0	122.3
470	P	51.6	Low	38.8	Very low	117 Å²	117	129 Å²	129	76%	0.76	77%	0.771	S	S	*	*			cis	-139.1	177.1	-47.5	41.3	-24.8	0	0	0	113.1
471	S	29.7	Very low	38.8	Very low	124 Å²	124	131.7 Å²	131.7	87%	0.867	78%	0.777	S	S	*	*			trans	-172.4	169.8	153.9	42.3	0	0	0	0	113.6
472	T	35.5	Very low	38.6	Very low	135 Å²	135	129.1 Å²	129.1	83%	0.828	77%	0.77	S	S	*	*			trans	-121	159.4	-169.9	-54.7	0	0	0	0	112.3
473	S	39.6	Very low	38.3	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	77%	0.772	S	S	*	*			trans	-37.6	157.7	174.9	-32.8	0	0	0	0	117
474	P	52.4	Low	38.2	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	78%	0.775	S	S	*	*				-154.6	174.7	82.6	41.4	-23.5	0	0	0	117.1
475	A	35	Very low	37.9	Very low	76 Å²	76	136.7 Å²	136.7	63%	0.628	78%	0.777	S	S	*	*				157.3	114.6	114.4	0	0	0	0	0	116.8
476	N	33	Very low	38.2	Very low	153 Å²	153	136.2 Å²	136.2	82%	0.818	78%	0.775	S	S	*	*			trans	63.9	155.2	137.7	-52.8	-31	0	0	0	120.3
477	R	40.5	Very low	38.1	Very low	243 Å²	243	135.2 Å²	135.2	92%	0.917	77%	0.773	S	S	*	*			cis	-136	173.6	15.7	-80.3	-173.8	170.5	141.5	1.1	114.6
478	F	31.2	Very low	38.1	Very low	191 Å²	191	134.3 Å²	134.3	84%	0.838	77%	0.773	S	S	*	*			trans	-77.2	147.3	-178.1	-105.7	-133.8	0	0	0	114.3
479	V	36.8	Very low	38.3	Very low	115 Å²	115	136.3 Å²	136.3	70%	0.697	78%	0.782	S	S	*	*				73.8	138.2	79.6	163.7	0	0	0	0	113.5
480	S	34.6	Very low	38.1	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	78%	0.782	S	S	*	*			cis	-175.2	162.2	-9.1	-97	0	0	0	0	113
481	V	34.4	Very low	37.3	Very low	150 Å²	150	138.7 Å²	138.7	91%	0.909	78%	0.782	S	S	*	*			trans	65.8	151.4	151.3	171.2	0	0	0	0	117.2
482	G	30.9	Very low	38.2	Very low	66 Å²	66	138 Å²	138	68%	0.68	77%	0.774	S	S	*	*			cis	-165.8	-163.9	13.3	0	0	0	0	0	115.4
483	P	58.5	Low	38	Very low	120 Å²	120	140 Å²	140	78%	0.779	77%	0.774	S	S	*	*			trans	-130.7	167.4	-149	43	-30.9	0	0	0	119.2
484	R	33.8	Very low	37.6	Very low	251 Å²	251	142.8 Å²	142.8	95%	0.947	78%	0.776	S	S	*	*			trans	179.7	165.6	135.8	-103.5	170.1	172.8	177.5	-3.5	116.6
485	D	34	Very low	36.6	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	77%	0.774	S	S	*	*			trans	-109.4	-176	-174.3	-96.1	-53.7	0	0	0	112.6
486	P	59.3	Low	36.5	Very low	105 Å²	105	147.2 Å²	147.2	68%	0.682	78%	0.781	S	S	*	*			cis	-141.9	-168.5	-38.9	40.2	-21.6	0	0	0	115.1
487	S	32.4	Very low	36.6	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	78%	0.775	S	S	*	*			trans	119.7	146.6	137.6	76.4	0	0	0	0	122.7
488	F	32	Very low	36.3	Very low	195 Å²	195	143.7 Å²	143.7	86%	0.855	77%	0.772	S	S	*	*			trans	65.8	148	168.9	-70.8	-77	0	0	0	118.5
489	V	33.4	Very low	36.4	Very low	126 Å²	126	144.3 Å²	144.3	76%	0.764	77%	0.77	S	S	*	*			cis	-141.7	128	2.3	-178.7	0	0	0	0	107
490	N	31.2	Very low	36.3	Very low	136 Å²	136	147 Å²	147	73%	0.727	78%	0.779	S	S	*	*				74.1	137.2	75.5	-147	7.1	0	0	0	119.2
491	I	34.8	Very low	36.4	Very low	149 Å²	149	149.8 Å²	149.8	76%	0.764	82%	0.823	S	S	*	*			trans	83	147.9	159.4	-86.4	154.9	0	0	0	120.5
492	P	49.3	Very low	36.5	Very low	109 Å²	109	149.8 Å²	149.8	71%	0.708	82%	0.819	S	S	*	*			trans	-138.7	-179.7	-135.7	45.8	-29.3	0	0	0	117.8
493	Q	30.7	Very low	36.8	Very low	177 Å²	177	154.2 Å²	154.2	83%	0.827	83%	0.826	S	S	*	*			trans	175.9	162.4	153.9	-104	177.8	34.9	0	0	108.4
494	Q	30.9	Very low	35.6	Very low	166 Å²	166	156.1 Å²	156.1	78%	0.776	83%	0.829	S	S	*	*			cis	-148.1	165.6	-5.4	-151.5	177.5	22.1	0	0	109.7
495	T	32.3	Very low	35.7	Very low	124 Å²	124	150.5 Å²	150.5	76%	0.761	82%	0.822	S	S	*	*			trans	-75.4	142.8	172.1	47.4	0	0	0	0	113.7
496	Q	33.3	Very low	35.8	Very low	168 Å²	168	150.3 Å²	150.3	79%	0.785	82%	0.822	S	S	*	*			trans	-139.5	150	136.9	-81.1	-149.2	6.1	0	0	111.3
497	S	35.1	Very low	34.3	Very low	97 Å²	97	153.3 Å²	153.3	68%	0.678	83%	0.831	S	S	*	*			trans	-118.2	139.1	174.1	174	0	0	0	0	108.1
498	W	34.3	Very low	34.4	Very low	226 Å²	226	157.3 Å²	157.3	86%	0.856	84%	0.842	S	S	*	*			trans	-135.2	141.8	163.2	-77	99.5	0	0	0	110.1
499	Y	33.6	Very low	34.6	Very low	203 Å²	203	154.4 Å²	154.4	80%	0.796	84%	0.841	S	S	*	*			trans	-124.5	171.8	-173.4	-142.7	-90.5	0	0	0	108.4
500	L	34.1	Very low	34.7	Very low	172 Å²	172	156.8 Å²	156.8	90%	0.901	85%	0.847	S	S	*	*			trans	82.5	136	179.4	-52.3	166.8	0	0	0	114.9
501	G	36.5	Very low	35	Very low	154 Å²	154	158.6 Å²	158.6	100%	1.588	86%	0.858	S	S	*	*			trans	148.1	0	-165	0	0	0	0	0	109.1

Retrieved 501 of 501 residues in 221.9 ms (Link to these results)

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