A0A077ZA79_TRITR Loading...

Ubiquitin-conjugating enzyme E2 H

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. E2 ubiquitin conjugating enzyme that transfers ubiquitin to MAEA, a core component of the CTLH E3 ubiquitin-protein ligase complex. In vitro catalyzes 'Lys-11'- and 'Lys-48'-linked polyubiquitination. Capable, in vitro, to ubiquitinate histone H2A.

AlphaFold DB , UniProt , Accession A0A077ZA79, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.5	Low	84	Confident	240 Å²	240	91.3 Å²	91.3	100%	1.182	53%	0.53	S	S	*	.				0	106.1	0	-66.8	-68.9	-154.9	0	0	108.4
2	S	69.1	Low	84.9	Confident	126 Å²	126	86.5 Å²	86.5	88%	0.881	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-67	133.3	176.3	-58.2	0	0	0	0	109.7
3	S	70.2	Confident	85.8	Confident	90 Å²	90	84.5 Å²	84.5	63%	0.629	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-56.5	136.8	174	-92.4	0	0	0	0	110.4	G5 R9	S3-G5 PolarHBondContact O-N 3.39Å; S3-R9 VanDerWaalsContact CB-NH2 3.34Å; S3-R9 PolarHBondContact OG-NH2 3.48Å
4	P	79.1	Confident	86.6	Confident	57 Å²	57	79 Å²	79	37%	0.37	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-58.9	136.7	175.2	23	-31.4	0	0	0	109.4	K8 R9	P4-K8 HydrophobicContact CB-CB 4.26Å; P4-K8 HydrophobicContact CB-CD 3.92Å; P4-K8 HydrophobicContact CB-CG 4.26Å; P4-R9 HydrophobicContact CB-CG 4.16Å; P4-R9 HydrophobicContact CG-CG 3.86Å; P4-R9 PolarHBondContact O-NE 2.9Å
5	G	86.9	Confident	87.3	Confident	48 Å²	48	73.7 Å²	73.7	50%	0.495	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-58.4	156.9	177.2	0	0	0	0	0	111.6	S3 G7 K8 R9	S3-G5 PolarHBondContact O-N 3.39Å; G5-G7 PolarHBondContact O-N 2.97Å; G5-K8 PolarHBondContact O-N 2.87Å; G5-R9 PolarHBondContact O-N 2.97Å
6	A	89.6	Confident	87.8	Confident	80 Å²	80	73.9 Å²	73.9	66%	0.661	43%	0.426	S	S	*	.	H	α-helix	trans	-54.6	-38.8	-175.8	0	0	0	0	0	113.2	R9 R10	A6-R9 PolarHBondContact O-N 2.94Å; A6-R10 WeakPolarHBondContact O-CG 3.39Å; A6-R10 PolarHBondContact O-N 3.09Å
7	G	89.7	Confident	88.3	Confident	24 Å²	24	77.9 Å²	77.9	25%	0.247	43%	0.433	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176.1	0	0	0	0	0	113.2	G5 R10 M11 Y61	G5-G7 PolarHBondContact O-N 2.97Å; G7-R10 WeakPolarHBondContact O-CB 3.1Å; G7-R10 PolarHBondContact O-N 2.99Å; G7-M11 PolarHBondContact O-N 3.48Å; G7-Y61 WeakPolarHBondContact CA-O 3.45Å
8	K	91.8	Very high	88.8	Confident	108 Å²	108	73.6 Å²	73.6	47%	0.47	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-43	175.7	-173.7	178.1	-175.4	-56.4	0	111.8	P4 G5 R10 M11 D12	P4-K8 HydrophobicContact CB-CB 4.26Å; P4-K8 HydrophobicContact CB-CD 3.92Å; P4-K8 HydrophobicContact CB-CG 4.26Å; G5-K8 PolarHBondContact O-N 2.87Å; K8-R10 VanDerWaalsContact C-N 3.27Å; K8-R10 PolarHBondContact O-N 2.98Å; K8-M11 WeakPolarHBondContact O-CB 3.47Å; K8-M11 PolarHBondContact O-N 2.87Å; K8-D12 IonicContact NZ-OD1 3.75Å; K8-D12 PolarHBondContact NZ-OD1 3.03Å; K8-D12 IonicContact NZ-OD2 3.81Å; K8-D12 PolarHBondContact NZ-OD2 3.47Å; K8-D12 PolarHBondContact O-N 2.97Å
9	R	93.5	Very high	89.2	Confident	126 Å²	126	73.9 Å²	73.9	48%	0.475	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-40.1	175.2	-65.1	-178.5	-172.7	-154.6	-5.2	112	S3 P4 G5 A6 T13	S3-R9 VanDerWaalsContact CB-NH2 3.34Å; S3-R9 PolarHBondContact OG-NH2 3.48Å; P4-R9 HydrophobicContact CB-CG 4.16Å; P4-R9 HydrophobicContact CG-CG 3.86Å; P4-R9 PolarHBondContact O-NE 2.9Å; G5-R9 PolarHBondContact O-N 2.97Å; A6-R9 PolarHBondContact O-N 2.94Å; R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.03Å; R9-T13 PolarHBondContact O-OG1 2.76Å
10	R	95.4	Very high	89.5	Confident	84 Å²	84	77.8 Å²	77.8	32%	0.317	42%	0.423	S	S	.	.	H	α-helix	trans	-63.7	-48.1	174.8	-80.3	-67	-57.1	-81	-8.8	111.6	A6 G7 K8 T13 D14 A97	A6-R10 WeakPolarHBondContact O-CG 3.39Å; A6-R10 PolarHBondContact O-N 3.09Å; G7-R10 WeakPolarHBondContact O-CB 3.1Å; G7-R10 PolarHBondContact O-N 2.99Å; K8-R10 VanDerWaalsContact C-N 3.27Å; K8-R10 PolarHBondContact O-N 2.98Å; R10-T13 PolarHBondContact O-N 2.93Å; R10-D14 IonicContact NE-OD1 3.25Å; R10-D14 IonicContact NE-OD2 3.3Å; R10-D14 IonicContact NH2-OD2 3.41Å; R10-D14 PolarHBondContact NH2-OD2 3.25Å; R10-D14 WeakPolarHBondContact O-CB 3.3Å; R10-D14 PolarHBondContact O-N 3.44Å; R10-A97 PolarHBondContact NH1-O 3.47Å; R10-A97 PolarHBondContact NH2-O 3.07Å
11	M	96.1	Very high	89.8	Confident	21 Å²	21	75.9 Å²	75.9	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-54.9	-54.8	175.5	-174	-172	-67.9	0	0	111.6	G7 K8 T13 D14 V15 N32 L57 Y61	G7-M11 PolarHBondContact O-N 3.48Å; K8-M11 WeakPolarHBondContact O-CB 3.47Å; K8-M11 PolarHBondContact O-N 2.87Å; M11-T13 VanDerWaalsContact C-N 3.28Å; M11-T13 PolarHBondContact O-N 3.17Å; M11-D14 PolarHBondContact O-N 2.91Å; M11-V15 HydrophobicContact CG-CG2 4.45Å; M11-V15 WeakPolarHBondContact O-CB 3.37Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.37Å; M11-N32 HydrophobicContact CE-CB 4.29Å; M11-N32 HydrophobicContact SD-CB 3.72Å; M11-L57 HydrophobicContact CE-CB 3.95Å; M11-L57 HydrophobicContact CG-CB 4.49Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.39Å; M11-L57 HydrophobicContact SD-CD1 4.37Å; M11-Y61 HydrophobicContact CB-CD1 3.81Å; M11-Y61 HydrophobicContact CB-CE1 4.23Å; M11-Y61 HydrophobicContact CE-CG 4.48Å; M11-Y61 HydrophobicContact CG-CD1 4.32Å
12	D	95.4	Very high	91.3	Very high	34 Å²	34	72.1 Å²	72.1	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-56.9	-44.5	-179.2	-62.6	-10.9	0	0	0	110.4	K8 I16 L31	K8-D12 IonicContact NZ-OD1 3.75Å; K8-D12 PolarHBondContact NZ-OD1 3.03Å; K8-D12 IonicContact NZ-OD2 3.81Å; K8-D12 PolarHBondContact NZ-OD2 3.47Å; K8-D12 PolarHBondContact O-N 2.97Å; D12-I16 WeakPolarHBondContact O-CB 3.47Å; D12-I16 VanDerWaalsContact O-CD1 3.32Å; D12-I16 WeakPolarHBondContact O-CD1 3.47Å; D12-I16 WeakPolarHBondContact O-CG1 3.23Å; D12-I16 PolarHBondContact O-N 3.16Å; D12-L31 HydrophobicContact CB-CD1 4.33Å
13	T	96	Very high	92.6	Very high	61 Å²	61	67.5 Å²	67.5	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-47	179.5	-55.1	0	0	0	0	112.7	R9 R10 M11 V15 I16 R17	R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.03Å; R9-T13 PolarHBondContact O-OG1 2.76Å; R10-T13 PolarHBondContact O-N 2.93Å; M11-T13 VanDerWaalsContact C-N 3.28Å; M11-T13 PolarHBondContact O-N 3.17Å; T13-V15 VanDerWaalsContact C-N 3.33Å; T13-V15 PolarHBondContact O-N 2.91Å; T13-I16 PolarHBondContact O-N 3.07Å; T13-R17 VanDerWaalsContact O-CG 3.31Å; T13-R17 WeakPolarHBondContact O-CG 3.38Å; T13-R17 PolarHBondContact O-N 3.16Å
14	D	97.1	Very high	93.8	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-38	-175.5	-65.3	-11.4	0	0	0	110.4	R10 M11 L18 Y61 L101	R10-D14 IonicContact NE-OD1 3.25Å; R10-D14 IonicContact NE-OD2 3.3Å; R10-D14 IonicContact NH2-OD2 3.41Å; R10-D14 PolarHBondContact NH2-OD2 3.25Å; R10-D14 WeakPolarHBondContact O-CB 3.3Å; R10-D14 PolarHBondContact O-N 3.44Å; M11-D14 PolarHBondContact O-N 2.91Å; D14-L18 PolarHBondContact O-N 3.3Å; D14-L18 VanDerWaalsContact O-N 3.1Å; D14-Y61 HydrophobicContact CB-CE1 4.48Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.34Å; D14-Y61 PolarHBondContact OD2-OH 3.15Å; D14-L101 HydrophobicContact CB-CD1 3.68Å; D14-L101 HydrophobicContact CB-CG 4.06Å
15	V	96.9	Very high	94.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-71.7	-42.1	177.6	178	0	0	0	0	111.4	M11 T13 R17 L18 I19 I27 L31 F34 L57 L101	M11-V15 HydrophobicContact CG-CG2 4.45Å; M11-V15 WeakPolarHBondContact O-CB 3.37Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.37Å; T13-V15 VanDerWaalsContact C-N 3.33Å; T13-V15 PolarHBondContact O-N 2.91Å; V15-R17 VanDerWaalsContact C-N 3.31Å; V15-R17 PolarHBondContact O-N 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.43Å; V15-L18 PolarHBondContact O-N 2.9Å; V15-L18 VanDerWaalsContact O-N 3.12Å; V15-I19 HydrophobicContact CG1-CD1 4.15Å; V15-I19 WeakPolarHBondContact O-CG1 3.24Å; V15-I19 PolarHBondContact O-N 3.41Å; V15-I27 HydrophobicContact CG1-CD1 4.19Å; V15-L31 HydrophobicContact CG1-CB 4.29Å; V15-L31 HydrophobicContact CG1-CD2 3.95Å; V15-L31 WeakPolarHBondContact CG2-O 3.5Å; V15-F34 HydrophobicContact CG1-CD1 4.32Å; V15-F34 HydrophobicContact CG1-CE1 4.44Å; V15-F34 HydrophobicContact CG2-CD1 4.43Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; V15-L57 HydrophobicContact CG2-CD1 3.57Å; V15-L101 HydrophobicContact CG2-CD1 3.83Å
16	I	96.3	Very high	95	Very high	76 Å²	76	65.7 Å²	65.7	39%	0.39	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-44	175.1	-71.6	165.9	0	0	0	110.6	D12 T13 L18 I19 E20	D12-I16 WeakPolarHBondContact O-CB 3.47Å; D12-I16 VanDerWaalsContact O-CD1 3.32Å; D12-I16 WeakPolarHBondContact O-CD1 3.47Å; D12-I16 WeakPolarHBondContact O-CG1 3.23Å; D12-I16 PolarHBondContact O-N 3.16Å; T13-I16 PolarHBondContact O-N 3.07Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 3.37Å; I16-I19 WeakPolarHBondContact O-CB 3.38Å; I16-I19 PolarHBondContact O-N 2.76Å; I16-I19 VanDerWaalsContact O-N 3.14Å; I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CG 3.22Å; I16-E20 PolarHBondContact O-N 3.26Å
17	R	96.5	Very high	95.3	Very high	143 Å²	143	65 Å²	65	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-38.3	175.3	-73.8	174.9	-178.2	180	1.7	112.7	T13 V15 E20 S21	T13-R17 VanDerWaalsContact O-CG 3.31Å; T13-R17 WeakPolarHBondContact O-CG 3.38Å; T13-R17 PolarHBondContact O-N 3.16Å; V15-R17 VanDerWaalsContact C-N 3.31Å; V15-R17 PolarHBondContact O-N 3.28Å; R17-E20 PolarHBondContact O-N 3.08Å; R17-S21 PolarHBondContact O-N 3.37Å; R17-S21 VanDerWaalsContact O-N 3.16Å
18	L	97.1	Very high	95.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-40.2	175.7	-175.6	67.3	0	0	0	111.4	D14 V15 I16 E20 S21 H23 V25 F34 V36 L101 F105	D14-L18 PolarHBondContact O-N 3.3Å; D14-L18 VanDerWaalsContact O-N 3.1Å; V15-L18 WeakPolarHBondContact O-CB 3.43Å; V15-L18 PolarHBondContact O-N 2.9Å; V15-L18 VanDerWaalsContact O-N 3.12Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 3.37Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-S21 VanDerWaalsContact O-CB 3.29Å; L18-S21 WeakPolarHBondContact O-CB 3.41Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.11Å; L18-H23 HydrophobicContact CD1-CB 4.48Å; L18-V25 HydrophobicContact CD2-CG2 4.27Å; L18-V25 HydrophobicContact CG-CG2 3.86Å; L18-F34 HydrophobicContact CD2-CD2 4.09Å; L18-F34 HydrophobicContact CD2-CE2 3.33Å; L18-F34 HydrophobicContact CD2-CZ 3.79Å; L18-V36 HydrophobicContact CD2-CG2 4.25Å; L18-L101 HydrophobicContact CD2-CB 4.42Å; L18-F105 HydrophobicContact CD1-CD2 4.12Å; L18-F105 HydrophobicContact CD1-CE2 4.26Å; L18-F105 HydrophobicContact CD2-CE2 4.05Å
19	I	96.2	Very high	95.5	Very high	79 Å²	79	65.3 Å²	65.3	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.1	-64.3	165	0	0	0	111.3	V15 I16 S21 V25 I27	V15-I19 HydrophobicContact CG1-CD1 4.15Å; V15-I19 WeakPolarHBondContact O-CG1 3.24Å; V15-I19 PolarHBondContact O-N 3.41Å; I16-I19 WeakPolarHBondContact O-CB 3.38Å; I16-I19 PolarHBondContact O-N 2.76Å; I16-I19 VanDerWaalsContact O-N 3.14Å; I19-S21 PolarHBondContact O-N 2.81Å; I19-V25 HydrophobicContact CG1-CB 4.22Å; I19-V25 HydrophobicContact CG1-CG1 4.02Å; I19-I27 HydrophobicContact CD1-CD1 4.03Å; I19-I27 HydrophobicContact CD1-CG1 4.31Å; I19-I27 HydrophobicContact CG1-CD1 4.49Å
20	E	95.5	Very high	95.6	Very high	151 Å²	151	60.2 Å²	60.2	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.4	178	-69	176.7	166	0	0	113.6	I16 R17 L18	I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CG 3.22Å; I16-E20 PolarHBondContact O-N 3.26Å; R17-E20 PolarHBondContact O-N 3.08Å; L18-E20 VanDerWaalsContact C-N 3.34Å
21	S	95	Very high	95.5	Very high	38 Å²	38	59 Å²	59	27%	0.266	30%	0.304	S	S	.	.	S	Bend	trans	-79.9	-174.8	178.6	83.2	0	0	0	0	112.3	R17 L18 I19 H23	R17-S21 PolarHBondContact O-N 3.37Å; R17-S21 VanDerWaalsContact O-N 3.16Å; L18-S21 VanDerWaalsContact O-CB 3.29Å; L18-S21 WeakPolarHBondContact O-CB 3.41Å; L18-S21 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-OG 3.11Å; I19-S21 PolarHBondContact O-N 2.81Å; S21-H23 PolarHBondContact O-N 2.76Å; S21-H23 PolarHBondContact OG-CD2 3.32Å; S21-H23 PolarHBondContact OG-N 2.98Å; S21-H23 VanDerWaalsContact OG-N 3.17Å
22	K	94.9	Very high	95.5	Very high	161 Å²	161	61.1 Å²	61.1	70%	0.7	32%	0.315	S	S	*	.	S	Bend	trans	-74.2	-6.7	174.5	70.3	-170.3	176.5	-145.9	0	114.2	E106	K22-E106 WeakPolarHBondContact CE-OE1 3.45Å; K22-E106 IonicContact NZ-OE1 2.73Å; K22-E106 PolarHBondContact NZ-OE1 3.4Å
23	H	95.9	Very high	95.6	Very high	30 Å²	30	61 Å²	61	14%	0.139	31%	0.314	C	S	.	.	S	Bend	trans	-82.5	139	-173.5	-62	-64.1	0	0	0	110.8	L18 S21 V25 V36 E106	L18-H23 HydrophobicContact CD1-CB 4.48Å; S21-H23 PolarHBondContact O-N 2.76Å; S21-H23 PolarHBondContact OG-CD2 3.32Å; S21-H23 PolarHBondContact OG-N 2.98Å; S21-H23 VanDerWaalsContact OG-N 3.17Å; H23-V25 HydrophobicContact CB-CG2 4.4Å; H23-V25 PolarHBondContact O-N 3.23Å; H23-V25 VanDerWaalsContact O-N 3.11Å; H23-V36 HydrophobicContact CB-CG1 3.86Å; H23-E106 IonicContact CE1-OE1 3.91Å; H23-E106 WeakPolarHBondContact NE2-CG 3.06Å; H23-E106 IonicContact NE2-OE1 3.35Å; H23-E106 PolarHBondContact NE2-OE1 3.14Å
24	E	95.3	Very high	95.7	Very high	102 Å²	102	58.1 Å²	58.1	48%	0.477	30%	0.296	S	S	.	.			trans	-81.4	93	177.6	-63.3	168.9	-115.1	0	0	109.3	V36 K37	E24-V36 WeakPolarHBondContact O-CA 3.18Å; E24-K37 HydrophobicContact CB-CB 3.87Å; E24-K37 PolarHBondContact O-N 3.04Å; E24-K37 WeakPolarHBondContact OE1-CD 3.35Å; E24-K37 WeakPolarHBondContact OE2-CD 3.19Å; E24-K37 IonicContact OE2-NZ 2.88Å
25	V	96.2	Very high	95.7	Very high	32 Å²	32	57.8 Å²	57.8	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.8	-177.9	-172.7	0	0	0	0	111	L18 I19 H23 I27 F34 A35 V36	L18-V25 HydrophobicContact CD2-CG2 4.27Å; L18-V25 HydrophobicContact CG-CG2 3.86Å; I19-V25 HydrophobicContact CG1-CB 4.22Å; I19-V25 HydrophobicContact CG1-CG1 4.02Å; H23-V25 HydrophobicContact CB-CG2 4.4Å; H23-V25 PolarHBondContact O-N 3.23Å; H23-V25 VanDerWaalsContact O-N 3.11Å; V25-I27 HydrophobicContact CG1-CD1 4.14Å; V25-F34 HydrophobicContact CG1-CB 4.17Å; V25-F34 HydrophobicContact CG1-CD2 4.13Å; V25-F34 HydrophobicContact CG1-CG 4.38Å; V25-A35 CarbonylContact C-O 3.54Å; V25-V36 HydrophobicContact CG1-CG2 4.44Å; V25-V36 HydrophobicContact CG2-CG2 4.16Å
26	T	95.7	Very high	95.7	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.2	172.2	-51.5	0	0	0	0	109.1	F34 A35 R52 T161	T26-F34 CarbonylContact O-C 3.43Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.32Å; T26-A35 PolarHBondContact N-O 2.76Å; T26-A35 PolarHBondContact O-N 3.26Å; T26-R52 PolarHBondContact OG1-NH2 2.79Å; T26-T161 HydrophobicContact CG2-CG2 4.47Å
27	I	95.8	Very high	95.7	Very high	65 Å²	65	55.9 Å²	55.9	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.9	174.6	-58.2	-53.1	0	0	0	108.9	V15 I19 V25 G30 L31 F34	V15-I27 HydrophobicContact CG1-CD1 4.19Å; I19-I27 HydrophobicContact CD1-CD1 4.03Å; I19-I27 HydrophobicContact CD1-CG1 4.31Å; I19-I27 HydrophobicContact CG1-CD1 4.49Å; V25-I27 HydrophobicContact CG1-CD1 4.14Å; I27-G30 WeakPolarHBondContact CG2-O 3.35Å; I27-L31 HydrophobicContact CD1-CD2 4.19Å; I27-F34 HydrophobicContact CD1-CB 3.75Å
28	L	94	Very high	95.8	Very high	49 Å²	49	49.5 Å²	49.5	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-107.9	178.4	-55.1	-176.7	0	0	0	109.3	E33 A35 R54 T161	L28-E33 HydrophobicContact CB-CB 4.48Å; L28-E33 HydrophobicContact CB-CG 3.97Å; L28-E33 WeakPolarHBondContact CB-O 3.35Å; L28-E33 HydrophobicContact CD1-CG 3.95Å; L28-E33 HydrophobicContact CG-CG 4.41Å; L28-E33 PolarHBondContact N-O 3.34Å; L28-A35 HydrophobicContact CD1-CB 4.41Å; L28-A35 HydrophobicContact CD2-CB 4.39Å; L28-R54 HydrophobicContact CD1-CG 4.42Å; L28-T161 HydrophobicContact CD2-CG2 3.83Å
29	S	91.8	Very high	95.8	Very high	90 Å²	90	56 Å²	56	63%	0.629	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	-23.2	-179.6	69	0	0	0	0	113.8	E33	S29-E33 WeakPolarHBondContact CB-OE2 3.45Å; S29-E33 PolarHBondContact OG-OE2 2.99Å
30	G	93.8	Very high	95.9	Very high	20 Å²	20	52.7 Å²	52.7	21%	0.206	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-179.5	-177.6	0	0	0	0	0	112.7	I27 N32 E33	I27-G30 WeakPolarHBondContact CG2-O 3.35Å; G30-N32 PolarHBondContact O-N 2.95Å; G30-N32 VanDerWaalsContact O-N 3.1Å; G30-E33 CarbonylContact O-C 3.48Å; G30-E33 PolarHBondContact O-N 2.83Å
31	L	94.7	Very high	96	Very high	58 Å²	58	46.7 Å²	46.7	30%	0.304	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.3	-179.6	-64.4	-177.5	0	0	0	113.3	D12 V15 I27 E33	D12-L31 HydrophobicContact CB-CD1 4.33Å; V15-L31 HydrophobicContact CG1-CB 4.29Å; V15-L31 HydrophobicContact CG1-CD2 3.95Å; V15-L31 WeakPolarHBondContact CG2-O 3.5Å; I27-L31 HydrophobicContact CD1-CD2 4.19Å; L31-E33 VanDerWaalsContact C-N 3.31Å
32	N	96.3	Very high	96.1	Very high	65 Å²	65	50.5 Å²	50.5	35%	0.348	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-7.5	174.7	65.4	-50.8	0	0	0	113.5	M11 G30 D56 L57	M11-N32 HydrophobicContact CE-CB 4.29Å; M11-N32 HydrophobicContact SD-CB 3.72Å; G30-N32 PolarHBondContact O-N 2.95Å; G30-N32 VanDerWaalsContact O-N 3.1Å; N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.33Å; N32-L57 HydrophobicContact CB-CB 4.25Å; N32-L57 PolarHBondContact O-N 3Å
33	E	97.5	Very high	96.1	Very high	32 Å²	32	46.4 Å²	46.4	15%	0.15	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	110.9	-179.2	-173.1	-173.7	179.9	0	0	110.1	L28 S29 G30 L31 R54 V55 D56	L28-E33 HydrophobicContact CB-CB 4.48Å; L28-E33 HydrophobicContact CB-CG 3.97Å; L28-E33 WeakPolarHBondContact CB-O 3.35Å; L28-E33 HydrophobicContact CD1-CG 3.95Å; L28-E33 HydrophobicContact CG-CG 4.41Å; L28-E33 PolarHBondContact N-O 3.34Å; S29-E33 WeakPolarHBondContact CB-OE2 3.45Å; S29-E33 PolarHBondContact OG-OE2 2.99Å; G30-E33 CarbonylContact O-C 3.48Å; G30-E33 PolarHBondContact O-N 2.83Å; L31-E33 VanDerWaalsContact C-N 3.31Å; E33-R54 VanDerWaalsContact CD-NH2 3.33Å; E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 3.62Å; E33-R54 PolarHBondContact OE1-NE 3.36Å; E33-R54 IonicContact OE1-NH1 2.9Å; E33-R54 PolarHBondContact OE1-NH1 2.98Å; E33-R54 IonicContact OE1-NH2 3.48Å; E33-R54 PolarHBondContact OE1-NH2 3.38Å; E33-V55 WeakPolarHBondContact CA-O 3.47Å; E33-D56 WeakPolarHBondContact CG-OD1 3.4Å
34	F	97	Very high	96.2	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.6	-177.2	57.1	-90.9	0	0	0	111.6	V15 L18 V25 T26 I27 V36 R54 V55 L57 L101	V15-F34 HydrophobicContact CG1-CD1 4.32Å; V15-F34 HydrophobicContact CG1-CE1 4.44Å; V15-F34 HydrophobicContact CG2-CD1 4.43Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; L18-F34 HydrophobicContact CD2-CD2 4.09Å; L18-F34 HydrophobicContact CD2-CE2 3.33Å; L18-F34 HydrophobicContact CD2-CZ 3.79Å; V25-F34 HydrophobicContact CG1-CB 4.17Å; V25-F34 HydrophobicContact CG1-CD2 4.13Å; V25-F34 HydrophobicContact CG1-CG 4.38Å; T26-F34 CarbonylContact O-C 3.43Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.32Å; I27-F34 HydrophobicContact CD1-CB 3.75Å; F34-V36 HydrophobicContact CD2-CG2 3.8Å; F34-V36 HydrophobicContact CE2-CG2 3.99Å; F34-R54 CarbonylContact O-C 3.54Å; F34-R54 WeakPolarHBondContact O-CA 3.39Å; F34-V55 HydrophobicContact CD2-CB 4.06Å; F34-V55 HydrophobicContact CD2-CG2 4.48Å; F34-V55 HydrophobicContact CE1-CB 4.25Å; F34-V55 HydrophobicContact CE1-CG1 4.08Å; F34-V55 HydrophobicContact CE2-CB 3.57Å; F34-V55 HydrophobicContact CE2-CG1 3.94Å; F34-V55 HydrophobicContact CE2-CG2 3.88Å; F34-V55 HydrophobicContact CZ-CB 3.68Å; F34-V55 HydrophobicContact CZ-CG1 3.53Å; F34-V55 HydrophobicContact CZ-CG2 4.34Å; F34-V55 PolarHBondContact N-O 3.23Å; F34-V55 PolarHBondContact O-N 3.47Å; F34-L57 HydrophobicContact CE1-CD1 3.95Å; F34-L57 HydrophobicContact CE1-CD2 4.31Å; F34-L57 HydrophobicContact CE1-CG 3.99Å; F34-L101 HydrophobicContact CZ-CD1 4.28Å
35	A	97.1	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.1	175.3	0	0	0	0	0	110.4	V25 T26 L28 R52 V53 M71 T161	V25-A35 CarbonylContact C-O 3.54Å; T26-A35 PolarHBondContact N-O 2.76Å; T26-A35 PolarHBondContact O-N 3.26Å; L28-A35 HydrophobicContact CD1-CB 4.41Å; L28-A35 HydrophobicContact CD2-CB 4.39Å; A35-R52 HydrophobicContact CB-CG 3.92Å; A35-V53 CarbonylContact C-O 3.37Å; A35-V53 VanDerWaalsContact CA-O 3.28Å; A35-V53 WeakPolarHBondContact CA-O 3.48Å; A35-M71 HydrophobicContact CB-SD 4.02Å; A35-T161 HydrophobicContact CB-CG2 4.04Å
36	V	97.2	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	179.3	-175.1	0	0	0	0	109.9	L18 H23 E24 V25 F34 F38 V53 F105	L18-V36 HydrophobicContact CD2-CG2 4.25Å; H23-V36 HydrophobicContact CB-CG1 3.86Å; E24-V36 WeakPolarHBondContact O-CA 3.18Å; V25-V36 HydrophobicContact CG1-CG2 4.44Å; V25-V36 HydrophobicContact CG2-CG2 4.16Å; F34-V36 HydrophobicContact CD2-CG2 3.8Å; F34-V36 HydrophobicContact CE2-CG2 3.99Å; V36-F38 PolarHBondContact O-N 2.99Å; V36-V53 PolarHBondContact N-O 3.27Å; V36-V53 PolarHBondContact O-N 2.93Å; V36-F105 HydrophobicContact CB-CD1 4.23Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.01Å; V36-F105 HydrophobicContact CB-CZ 3.45Å; V36-F105 VanDerWaalsContact CB-CZ 3.45Å; V36-F105 HydrophobicContact CG1-CD1 4.07Å; V36-F105 HydrophobicContact CG1-CD2 4.27Å; V36-F105 HydrophobicContact CG1-CE1 3.94Å; V36-F105 HydrophobicContact CG1-CE2 4.14Å; V36-F105 HydrophobicContact CG1-CG 4.24Å; V36-F105 HydrophobicContact CG1-CZ 3.97Å; V36-F105 HydrophobicContact CG2-CE1 4.05Å; V36-F105 HydrophobicContact CG2-CE2 3.63Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å
37	K	96.8	Very high	96.5	Very high	35 Å²	35	45 Å²	45	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120.5	171.6	-164.2	178.3	178.9	176.5	0	109.7	E24 V50 W51 E151 L154	E24-K37 HydrophobicContact CB-CB 3.87Å; E24-K37 PolarHBondContact O-N 3.04Å; E24-K37 WeakPolarHBondContact OE1-CD 3.35Å; E24-K37 WeakPolarHBondContact OE2-CD 3.19Å; E24-K37 IonicContact OE2-NZ 2.88Å; K37-V50 HydrophobicContact CD-CG1 4.15Å; K37-V50 VanDerWaalsContact CE-CG1 3.42Å; K37-V50 HydrophobicContact CG-CG1 3.66Å; K37-W51 WeakPolarHBondContact CA-O 3.48Å; K37-E151 WeakPolarHBondContact CE-OE1 3.39Å; K37-E151 WeakPolarHBondContact CE-OE2 3.49Å; K37-E151 IonicContact NZ-OE1 2.75Å; K37-E151 PolarHBondContact NZ-OE1 2.55Å; K37-E151 IonicContact NZ-OE2 3.67Å; K37-E151 PolarHBondContact NZ-OE2 3.18Å; K37-L154 HydrophobicContact CG-CD1 4.46Å
38	F	97.9	Very high	96.6	Very high	10 Å²	10	45 Å²	45	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.1	-175.7	175.8	-108.8	0	0	0	110.6	V36 V50 W51 V53 F70 F105 L109 P110 L113	V36-F38 PolarHBondContact O-N 2.99Å; F38-V50 WeakPolarHBondContact O-CA 3.31Å; F38-W51 HydrophobicContact CD1-CE3 4.33Å; F38-W51 PolarHBondContact N-O 3.22Å; F38-W51 PolarHBondContact O-N 2.87Å; F38-V53 HydrophobicContact CB-CG2 3.69Å; F38-V53 HydrophobicContact CD1-CG2 4.32Å; F38-V53 HydrophobicContact CG-CG2 4.26Å; F38-F70 HydrophobicContact CD1-CE1 4.13Å; F38-F70 HydrophobicContact CD1-CZ 4.44Å; F38-F70 HydrophobicContact CE1-CE1 4.48Å; F38-F105 HydrophobicContact CB-CD1 4.5Å; F38-F105 HydrophobicContact CD2-CB 4.49Å; F38-F105 HydrophobicContact CD2-CD1 4.19Å; F38-L109 HydrophobicContact CD2-CD1 4.4Å; F38-L109 HydrophobicContact CE1-CB 4.21Å; F38-L109 HydrophobicContact CE2-CB 3.92Å; F38-L109 HydrophobicContact CE2-CD1 4.47Å; F38-L109 HydrophobicContact CG-CD1 4.46Å; F38-L109 HydrophobicContact CZ-CB 3.67Å; F38-P110 HydrophobicContact CE2-CG 4.09Å; F38-P110 HydrophobicContact CZ-CG 4.27Å; F38-L113 HydrophobicContact CE1-CD2 3.82Å; F38-L113 HydrophobicContact CZ-CD2 4.37Å
39	K	97.6	Very high	96.7	Very high	136 Å²	136	42.7 Å²	42.7	59%	0.591	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.6	177.3	-65.2	-179.8	-178.5	176	0	109.9	G49 V50	K39-G49 WeakPolarHBondContact CA-O 3.37Å; K39-V50 HydrophobicContact CG-CG1 4.44Å
40	G	97.8	Very high	97	Very high	10 Å²	10	38.9 Å²	38.9	10%	0.103	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.3	138.9	177.8	0	0	0	0	0	112.1	Y46 G49	G40-Y46 WeakPolarHBondContact CA-O 3.44Å; G40-G49 PolarHBondContact N-O 2.98Å
41	P	97.9	Very high	97.2	Very high	24 Å²	24	38 Å²	38	16%	0.156	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.6	141.8	-178.1	24.2	-31.3	0	0	0	111.9	T44 P110 L113	P41-T44 HydrophobicContact CB-CG2 4.01Å; P41-T44 HydrophobicContact CG-CG2 3.67Å; P41-T44 PolarHBondContact O-OG1 3.45Å; P41-P110 HydrophobicContact CB-CB 4.24Å; P41-L113 HydrophobicContact CG-CB 3.93Å; P41-L113 HydrophobicContact CG-CD2 4.31Å
42	T	96.9	Very high	97.4	Very high	118 Å²	118	35.9 Å²	35.9	72%	0.724	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	148.8	176.6	53.6	0	0	0	0	111.3	T44	T42-T44 PolarHBondContact O-N 3.39Å
43	G	95.8	Very high	97.4	Very high	75 Å²	75	32.8 Å²	32.8	77%	0.773	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	8.1	-177.3	0	0	0	0	0	114.3	E47	G43-E47 PolarHBondContact N-OE2 3.09Å
44	T	97.1	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	12%	0.123	21%	0.214	C	C	.	.	S	Bend	trans	-115.2	165.1	178.5	77.6	0	0	0	0	111.7	P41 T42 Y46 E47 A114	P41-T44 HydrophobicContact CB-CG2 4.01Å; P41-T44 HydrophobicContact CG-CG2 3.67Å; P41-T44 PolarHBondContact O-OG1 3.45Å; T42-T44 PolarHBondContact O-N 3.39Å; T44-Y46 PolarHBondContact O-N 3.4Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 PolarHBondContact OG1-N 2.89Å; T44-E47 WeakPolarHBondContact O-CB 3.49Å; T44-E47 PolarHBondContact O-N 2.9Å; T44-E47 VanDerWaalsContact O-N 3.16Å; T44-A114 HydrophobicContact CG2-CB 4.01Å
45	P	97.4	Very high	97.5	Very high	25 Å²	25	35.6 Å²	35.6	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.9	173.9	-20.9	35.4	0	0	0	114.1	F137 K138 C141	P45-F137 HydrophobicContact CG-CE1 4.42Å; P45-K138 HydrophobicContact CB-CG 4.48Å; P45-K138 HydrophobicContact CG-CB 4.49Å; P45-K138 HydrophobicContact CG-CG 3.9Å; P45-C141 HydrophobicContact CB-CB 3.56Å
46	Y	98.4	Very high	97.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.4	-179.1	-55.5	-76	0	0	0	113	G40 T44 G48 G49 W51 I74 F75 H76 L113 F137 C141	G40-Y46 WeakPolarHBondContact CA-O 3.44Å; T44-Y46 PolarHBondContact O-N 3.4Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 PolarHBondContact OG1-N 2.89Å; Y46-G48 PolarHBondContact O-N 3.29Å; Y46-G49 PolarHBondContact O-N 3.25Å; Y46-W51 AromaticContact CD1-CH2 3.99Å; Y46-W51 HydrophobicContact CD1-CH2 3.99Å; Y46-W51 HydrophobicContact CD1-CZ2 4.27Å; Y46-W51 HydrophobicContact CG-CH2 4.39Å; Y46-I74 HydrophobicContact CD1-CD1 4.08Å; Y46-I74 HydrophobicContact CD1-CG1 4.23Å; Y46-I74 HydrophobicContact CE1-CD1 4.04Å; Y46-I74 HydrophobicContact CE1-CG1 3.91Å; Y46-F75 WeakPolarHBondContact CE1-O 3.24Å; Y46-F75 PolarHBondContact OH-O 3.25Å; Y46-H76 AromaticContact CZ-CD2 3.84Å; Y46-H76 PolarHBondContact OH-CD2 3.05Å; Y46-H76 VanDerWaalsContact OH-CD2 3.26Å; Y46-L113 HydrophobicContact CD1-CD2 4.24Å; Y46-L113 HydrophobicContact CD1-CG 4.42Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 3.96Å; Y46-L113 HydrophobicContact CD2-CG 3.75Å; Y46-L113 HydrophobicContact CE2-CB 4Å; Y46-L113 HydrophobicContact CE2-CG 3.99Å; Y46-L113 WeakPolarHBondContact CE2-O 3.5Å; Y46-L113 HydrophobicContact CG-CB 4.36Å; Y46-L113 HydrophobicContact CG-CD2 3.75Å; Y46-L113 HydrophobicContact CG-CG 3.99Å; Y46-F137 WeakPolarHBondContact OH-CZ 3.47Å; Y46-C141 HydrophobicContact CE1-CB 4.33Å
47	E	97.9	Very high	97.6	Very high	110 Å²	110	38 Å²	38	51%	0.514	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.2	-179.1	-177	176	157.5	0	0	111.8	G43 T44 G49	G43-E47 PolarHBondContact N-OE2 3.09Å; T44-E47 WeakPolarHBondContact O-CB 3.49Å; T44-E47 PolarHBondContact O-N 2.9Å; T44-E47 VanDerWaalsContact O-N 3.16Å; E47-G49 PolarHBondContact O-N 3.47Å
48	G	96.8	Very high	97.6	Very high	65 Å²	65	38.2 Å²	38.2	67%	0.67	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-12.1	-177	0	0	0	0	0	114.5	Y46	Y46-G48 PolarHBondContact O-N 3.29Å
49	G	97.9	Very high	97.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	27%	0.27	C	S	.	.			trans	-73.9	149.5	172.4	0	0	0	0	0	112.8	K39 G40 Y46 E47 W51 A149	K39-G49 WeakPolarHBondContact CA-O 3.37Å; G40-G49 PolarHBondContact N-O 2.98Å; Y46-G49 PolarHBondContact O-N 3.25Å; E47-G49 PolarHBondContact O-N 3.47Å; G49-W51 VanDerWaalsContact C-CZ3 3.47Å; G49-A149 CarbonylContact C-O 2.89Å; G49-A149 WeakPolarHBondContact CA-O 3.48Å
50	V	97.8	Very high	97.3	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.3	175.9	-163	0	0	0	0	109.3	K37 F38 K39 N72 A149 L154	K37-V50 HydrophobicContact CD-CG1 4.15Å; K37-V50 VanDerWaalsContact CE-CG1 3.42Å; K37-V50 HydrophobicContact CG-CG1 3.66Å; F38-V50 WeakPolarHBondContact O-CA 3.31Å; K39-V50 HydrophobicContact CG-CG1 4.44Å; V50-N72 PolarHBondContact O-ND2 2.96Å; V50-N72 VanDerWaalsContact O-ND2 3.14Å; V50-A149 PolarHBondContact N-O 2.66Å; V50-A149 CarbonylContact O-C 3.56Å; V50-A149 VanDerWaalsContact O-CA 3.27Å; V50-A149 WeakPolarHBondContact O-CA 3.34Å; V50-A149 WeakPolarHBondContact O-CB 3.31Å; V50-L154 HydrophobicContact CB-CD1 3.97Å; V50-L154 HydrophobicContact CG1-CD1 3.55Å
51	W	98.2	Very high	97.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.4	180	-67.2	-92	0	0	0	112	K37 F38 Y46 G49 V53 F70 N72 K73 I74 V145 A149	K37-W51 WeakPolarHBondContact CA-O 3.48Å; F38-W51 HydrophobicContact CD1-CE3 4.33Å; F38-W51 PolarHBondContact N-O 3.22Å; F38-W51 PolarHBondContact O-N 2.87Å; Y46-W51 AromaticContact CD1-CH2 3.99Å; Y46-W51 HydrophobicContact CD1-CH2 3.99Å; Y46-W51 HydrophobicContact CD1-CZ2 4.27Å; Y46-W51 HydrophobicContact CG-CH2 4.39Å; G49-W51 VanDerWaalsContact C-CZ3 3.47Å; W51-V53 HydrophobicContact CB-CG2 4.32Å; W51-F70 HydrophobicContact CB-CD1 3.63Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.57Å; W51-F70 HydrophobicContact CD2-CD1 4.27Å; W51-F70 HydrophobicContact CD2-CE1 4.18Å; W51-F70 AromaticContact CG-CD1 3.54Å; W51-F70 HydrophobicContact CG-CD1 3.54Å; W51-F70 AromaticContact CG-CE1 3.84Å; W51-F70 HydrophobicContact CG-CE1 3.84Å; W51-N72 WeakPolarHBondContact CA-OD1 3.43Å; W51-N72 WeakPolarHBondContact CB-OD1 3.5Å; W51-N72 VanDerWaalsContact CD1-CG 3.43Å; W51-K73 PolarHBondContact NE1-O 3.46Å; W51-K73 VanDerWaalsContact NE1-O 3.07Å; W51-I74 HydrophobicContact CD2-CD1 4.47Å; W51-I74 HydrophobicContact CZ2-CD1 3.98Å; W51-I74 HydrophobicContact CZ2-CG1 4.05Å; W51-V145 HydrophobicContact CH2-CG2 3.75Å; W51-V145 HydrophobicContact CZ2-CG2 3.89Å; W51-A149 HydrophobicContact CD2-CB 3.97Å; W51-A149 VanDerWaalsContact CE2-CB 3.41Å; W51-A149 HydrophobicContact CG-CB 4.45Å; W51-A149 HydrophobicContact CH2-CB 4.17Å; W51-A149 HydrophobicContact CZ2-CB 3.54Å
52	R	97.3	Very high	97.1	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.045	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.8	160.2	-142.9	92.8	-170.8	-146.3	10.9	107.7	T26 A35 M71 N72 L154 C158 T161 D162	T26-R52 PolarHBondContact OG1-NH2 2.79Å; A35-R52 HydrophobicContact CB-CG 3.92Å; R52-M71 HydrophobicContact CB-CB 4.08Å; R52-M71 HydrophobicContact CB-CG 4.24Å; R52-M71 HydrophobicContact CB-SD 3.85Å; R52-M71 HydrophobicContact CG-SD 3.74Å; R52-M71 WeakPolarHBondContact O-CB 3.11Å; R52-M71 PolarHBondContact O-N 3.18Å; R52-N72 PolarHBondContact N-OD1 3.03Å; R52-L154 HydrophobicContact CB-CD2 4.32Å; R52-C158 HydrophobicContact CB-CB 4.23Å; R52-C158 HydrophobicContact CG-CB 4.4Å; R52-T161 VanDerWaalsContact CD-OG1 3.22Å; R52-T161 WeakPolarHBondContact CD-OG1 3.31Å; R52-T161 HydrophobicContact CG-CG2 4.38Å; R52-T161 VanDerWaalsContact CZ-C 3.47Å; R52-T161 VanDerWaalsContact CZ-O 3.24Å; R52-T161 VanDerWaalsContact NE-CB 3.31Å; R52-T161 PolarHBondContact NE-OG1 3.46Å; R52-T161 VanDerWaalsContact NE-OG1 3.13Å; R52-T161 PolarHBondContact NH1-O 3.08Å; R52-T161 VanDerWaalsContact NH1-O 3.14Å; R52-T161 PolarHBondContact NH1-OG1 3.19Å; R52-T161 VanDerWaalsContact NH2-C 3.35Å; R52-T161 PolarHBondContact NH2-O 3.5Å; R52-D162 IonicContact CZ-OD1 2.78Å; R52-D162 IonicContact NH1-OD1 3.22Å; R52-D162 PolarHBondContact NH1-OD1 3.05Å
53	V	97.9	Very high	97.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.2	-179.5	179.8	0	0	0	0	108.5	A35 V36 F38 W51 I68 G69 F70 F105 L109	A35-V53 CarbonylContact C-O 3.37Å; A35-V53 VanDerWaalsContact CA-O 3.28Å; A35-V53 WeakPolarHBondContact CA-O 3.48Å; V36-V53 PolarHBondContact N-O 3.27Å; V36-V53 PolarHBondContact O-N 2.93Å; F38-V53 HydrophobicContact CB-CG2 3.69Å; F38-V53 HydrophobicContact CD1-CG2 4.32Å; F38-V53 HydrophobicContact CG-CG2 4.26Å; W51-V53 HydrophobicContact CB-CG2 4.32Å; V53-I68 HydrophobicContact CG1-CG2 3.48Å; V53-I68 VanDerWaalsContact CG1-CG2 3.48Å; V53-G69 CarbonylContact C-O 3.54Å; V53-G69 WeakPolarHBondContact CA-O 3.26Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.81Å; V53-F70 HydrophobicContact CG2-CG 4.44Å; V53-F70 HydrophobicContact CG2-CZ 4.14Å; V53-F105 HydrophobicContact CB-CE1 4Å; V53-F105 HydrophobicContact CG1-CE1 3.97Å; V53-L109 HydrophobicContact CG1-CD1 4.15Å; V53-L109 HydrophobicContact CG2-CD1 4.39Å
54	R	97.4	Very high	97.1	Very high	93 Å²	93	49 Å²	49	35%	0.351	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.8	172.3	177.5	-179.6	165.2	153.7	8	109.7	L28 E33 F34 D56 I68 G69 M71	L28-R54 HydrophobicContact CD1-CG 4.42Å; E33-R54 VanDerWaalsContact CD-NH2 3.33Å; E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 3.62Å; E33-R54 PolarHBondContact OE1-NE 3.36Å; E33-R54 IonicContact OE1-NH1 2.9Å; E33-R54 PolarHBondContact OE1-NH1 2.98Å; E33-R54 IonicContact OE1-NH2 3.48Å; E33-R54 PolarHBondContact OE1-NH2 3.38Å; F34-R54 CarbonylContact O-C 3.54Å; F34-R54 WeakPolarHBondContact O-CA 3.39Å; R54-D56 WeakPolarHBondContact CG-OD2 3.36Å; R54-D56 IonicContact CZ-OD1 3.83Å; R54-D56 IonicContact CZ-OD2 3.28Å; R54-D56 IonicContact NE-OD1 2.78Å; R54-D56 PolarHBondContact NE-OD1 2.72Å; R54-D56 IonicContact NE-OD2 2.7Å; R54-D56 PolarHBondContact NE-OD2 3.31Å; R54-D56 IonicContact NH2-OD1 3.65Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.45Å; R54-I68 WeakPolarHBondContact O-CA 3.44Å; R54-G69 PolarHBondContact N-O 3.34Å; R54-G69 PolarHBondContact O-N 3.14Å; R54-M71 HydrophobicContact CB-CG 3.92Å; R54-M71 HydrophobicContact CB-SD 4.21Å
55	V	98.1	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.9	175.2	-179	0	0	0	0	108.8	E33 F34 L57 P66 S67 F105	E33-V55 WeakPolarHBondContact CA-O 3.47Å; F34-V55 HydrophobicContact CD2-CB 4.06Å; F34-V55 HydrophobicContact CD2-CG2 4.48Å; F34-V55 HydrophobicContact CE1-CB 4.25Å; F34-V55 HydrophobicContact CE1-CG1 4.08Å; F34-V55 HydrophobicContact CE2-CB 3.57Å; F34-V55 HydrophobicContact CE2-CG1 3.94Å; F34-V55 HydrophobicContact CE2-CG2 3.88Å; F34-V55 HydrophobicContact CZ-CB 3.68Å; F34-V55 HydrophobicContact CZ-CG1 3.53Å; F34-V55 HydrophobicContact CZ-CG2 4.34Å; F34-V55 PolarHBondContact N-O 3.23Å; F34-V55 PolarHBondContact O-N 3.47Å; V55-L57 HydrophobicContact CG1-CD2 3.88Å; V55-P66 HydrophobicContact CG1-CB 3.81Å; V55-S67 WeakPolarHBondContact CA-O 3.41Å; V55-F105 HydrophobicContact CG2-CZ 3.75Å
56	D	98.1	Very high	97.2	Very high	45 Å²	45	47.3 Å²	47.3	24%	0.241	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.9	175.8	-61.8	-100.2	0	0	0	109.4	N32 E33 R54 P66 S67	N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.33Å; E33-D56 WeakPolarHBondContact CG-OD1 3.4Å; R54-D56 WeakPolarHBondContact CG-OD2 3.36Å; R54-D56 IonicContact CZ-OD1 3.83Å; R54-D56 IonicContact CZ-OD2 3.28Å; R54-D56 IonicContact NE-OD1 2.78Å; R54-D56 PolarHBondContact NE-OD1 2.72Å; R54-D56 IonicContact NE-OD2 2.7Å; R54-D56 PolarHBondContact NE-OD2 3.31Å; R54-D56 IonicContact NH2-OD1 3.65Å; R54-D56 PolarHBondContact NH2-OD1 3.02Å; R54-D56 IonicContact NH2-OD2 3.45Å; D56-P66 WeakPolarHBondContact O-CA 3.4Å; D56-S67 PolarHBondContact N-O 3.49Å; D56-S67 PolarHBondContact O-N 3.1Å
57	L	97.7	Very high	97.2	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	26%	0.26	C	S	.	.			trans	-95.5	121.7	178.4	-53.4	-172.3	0	0	0	109.7	M11 V15 N32 F34 V55 Y61 P66 L101	M11-L57 HydrophobicContact CE-CB 3.95Å; M11-L57 HydrophobicContact CG-CB 4.49Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.39Å; M11-L57 HydrophobicContact SD-CD1 4.37Å; V15-L57 HydrophobicContact CG2-CD1 3.57Å; N32-L57 HydrophobicContact CB-CB 4.25Å; N32-L57 PolarHBondContact O-N 3Å; F34-L57 HydrophobicContact CE1-CD1 3.95Å; F34-L57 HydrophobicContact CE1-CD2 4.31Å; F34-L57 HydrophobicContact CE1-CG 3.99Å; V55-L57 HydrophobicContact CG1-CD2 3.88Å; L57-Y61 HydrophobicContact CB-CD2 4.36Å; L57-Y61 HydrophobicContact CB-CG 4.49Å; L57-Y61 HydrophobicContact CD1-CD2 4.48Å; L57-Y61 HydrophobicContact CD1-CE2 4.45Å; L57-Y61 HydrophobicContact CD2-CD2 4.04Å; L57-Y61 HydrophobicContact CD2-CE2 4.03Å; L57-P66 HydrophobicContact CD2-CB 3.77Å; L57-L101 HydrophobicContact CD1-CD1 4.15Å; L57-L101 HydrophobicContact CD2-CD2 4.04Å
58	P	96.7	Very high	97.2	Very high	38 Å²	38	45.1 Å²	45.1	25%	0.247	24%	0.236	C	C	.	.			trans	-74.3	160.5	-179.9	31.4	-36.7	0	0	0	111.9	K60 Y61 K64 S65	P58-K60 PolarHBondContact O-N 2.92Å; P58-Y61 WeakPolarHBondContact O-CB 3.36Å; P58-Y61 PolarHBondContact O-N 3.42Å; P58-K64 HydrophobicContact CB-CB 4.31Å; P58-K64 HydrophobicContact CG-CB 3.56Å; P58-S65 WeakPolarHBondContact CD-O 3.37Å; P58-S65 WeakPolarHBondContact CG-O 3.49Å
59	D	94.5	Very high	97.2	Very high	161 Å²	161	42.6 Å²	42.6	86%	0.861	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.3	177.5	-63.7	-20.1	0	0	0	114.2	Y61	D59-Y61 VanDerWaalsContact C-N 3.32Å
60	K	95.3	Very high	97.2	Very high	140 Å²	140	42.7 Å²	42.7	61%	0.609	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	13.2	179.6	-63.3	-171.3	179.6	-174.9	0	113.5	P58 F63 K64	P58-K60 PolarHBondContact O-N 2.92Å; K60-F63 WeakPolarHBondContact O-CA 3.28Å; K60-F63 WeakPolarHBondContact O-CB 3.4Å; K60-F63 PolarHBondContact O-N 3.26Å; K60-K64 HydrophobicContact CB-CB 4.24Å; K60-K64 HydrophobicContact CB-CD 4.14Å; K60-K64 HydrophobicContact CB-CG 3.92Å; K60-K64 HydrophobicContact CD-CD 4.41Å; K60-K64 PolarHBondContact O-N 3.47Å; K60-K64 VanDerWaalsContact O-N 3.16Å
61	Y	96.8	Very high	97.2	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.6	173.1	-179.3	-88.9	0	0	0	111.3	G7 M11 D14 L57 P58 D59 W95 L101	G7-Y61 WeakPolarHBondContact CA-O 3.45Å; M11-Y61 HydrophobicContact CB-CD1 3.81Å; M11-Y61 HydrophobicContact CB-CE1 4.23Å; M11-Y61 HydrophobicContact CE-CG 4.48Å; M11-Y61 HydrophobicContact CG-CD1 4.32Å; D14-Y61 HydrophobicContact CB-CE1 4.48Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.34Å; D14-Y61 PolarHBondContact OD2-OH 3.15Å; L57-Y61 HydrophobicContact CB-CD2 4.36Å; L57-Y61 HydrophobicContact CB-CG 4.49Å; L57-Y61 HydrophobicContact CD1-CD2 4.48Å; L57-Y61 HydrophobicContact CD1-CE2 4.45Å; L57-Y61 HydrophobicContact CD2-CD2 4.04Å; L57-Y61 HydrophobicContact CD2-CE2 4.03Å; P58-Y61 WeakPolarHBondContact O-CB 3.36Å; P58-Y61 PolarHBondContact O-N 3.42Å; D59-Y61 VanDerWaalsContact C-N 3.32Å; Y61-W95 HydrophobicContact CD2-CZ2 4.11Å; Y61-W95 AromaticContact CE2-CH2 3.6Å; Y61-W95 HydrophobicContact CE2-CH2 3.6Å; Y61-W95 AromaticContact CE2-CZ2 3.48Å; Y61-W95 HydrophobicContact CE2-CZ2 3.48Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.48Å; Y61-L101 HydrophobicContact CE2-CD2 4.01Å; Y61-L101 WeakPolarHBondContact OH-CG 3.49Å
62	P	95.9	Very high	97	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.9	8.5	2.6	37.2	-36.6	0	0	0	114.5	K64 W95 A97	P62-K64 VanDerWaalsContact C-N 3.3Å; P62-W95 HydrophobicContact CB-CZ2 4.26Å; P62-W95 PolarHBondContact O-NE1 3.18Å; P62-A97 HydrophobicContact CB-CB 4.47Å; P62-A97 HydrophobicContact CG-CB 4.2Å
63	F	95.7	Very high	97	Very high	174 Å²	174	48.6 Å²	48.6	76%	0.763	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.2	179.7	-59.3	-72.5	0	0	0	113.1	K60 A97	K60-F63 WeakPolarHBondContact O-CA 3.28Å; K60-F63 WeakPolarHBondContact O-CB 3.4Å; K60-F63 PolarHBondContact O-N 3.26Å; F63-A97 HydrophobicContact CD1-CB 4.16Å; F63-A97 HydrophobicContact CE1-CB 4.39Å
64	K	96.6	Very high	97	Very high	120 Å²	120	48.8 Å²	48.8	52%	0.522	24%	0.239	S	C	.	.	S	Bend	trans	-104.1	141.4	163.2	-74.3	-164	170.7	-167.2	0	109.7	P58 K60 P62	P58-K64 HydrophobicContact CB-CB 4.31Å; P58-K64 HydrophobicContact CG-CB 3.56Å; K60-K64 HydrophobicContact CB-CB 4.24Å; K60-K64 HydrophobicContact CB-CD 4.14Å; K60-K64 HydrophobicContact CB-CG 3.92Å; K60-K64 HydrophobicContact CD-CD 4.41Å; K60-K64 PolarHBondContact O-N 3.47Å; K60-K64 VanDerWaalsContact O-N 3.16Å; P62-K64 VanDerWaalsContact C-N 3.3Å
65	S	97.4	Very high	97.1	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.07	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66	156.2	177.7	68.9	0	0	0	0	111.9	P58 L88 N92	P58-S65 WeakPolarHBondContact CD-O 3.37Å; P58-S65 WeakPolarHBondContact CG-O 3.49Å; S65-L88 WeakPolarHBondContact OG-CD1 3.46Å; S65-N92 WeakPolarHBondContact CB-OD1 3.49Å; S65-N92 PolarHBondContact OG-OD1 2.98Å; S65-N92 VanDerWaalsContact OG-OD1 3.06Å
66	P	98.2	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.9	154.1	163.6	27.7	-34.5	0	0	0	111.1	V55 D56 L57 W95 I104	V55-P66 HydrophobicContact CG1-CB 3.81Å; D56-P66 WeakPolarHBondContact O-CA 3.4Å; L57-P66 HydrophobicContact CD2-CB 3.77Å; P66-W95 VanDerWaalsContact CD-CE3 3.47Å; P66-W95 VanDerWaalsContact CD-CZ3 3.5Å; P66-W95 HydrophobicContact CG-CE3 4.03Å; P66-W95 HydrophobicContact CG-CH2 4.22Å; P66-W95 HydrophobicContact CG-CZ3 3.81Å; P66-I104 HydrophobicContact CG-CD1 3.78Å
67	S	98.2	Very high	97.1	Very high	61 Å²	61	42.2 Å²	42.2	43%	0.427	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.3	158.7	-63	0	0	0	0	108.7	V55 D56	V55-S67 WeakPolarHBondContact CA-O 3.41Å; D56-S67 PolarHBondContact N-O 3.49Å; D56-S67 PolarHBondContact O-N 3.1Å
68	I	98.4	Very high	97.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.8	-177.1	-57.2	168.9	0	0	0	108.6	V53 R54 V86 I91 I104 F108 L109	V53-I68 HydrophobicContact CG1-CG2 3.48Å; V53-I68 VanDerWaalsContact CG1-CG2 3.48Å; R54-I68 WeakPolarHBondContact O-CA 3.44Å; I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.07Å; I68-V86 HydrophobicContact CG2-CG2 3.84Å; I68-V86 PolarHBondContact O-N 2.82Å; I68-I91 HydrophobicContact CB-CD1 4.1Å; I68-I91 HydrophobicContact CD1-CD1 4Å; I68-I91 HydrophobicContact CD1-CG1 4.25Å; I68-I91 HydrophobicContact CG1-CD1 4.05Å; I68-I104 HydrophobicContact CD1-CD1 4.4Å; I68-I104 HydrophobicContact CD1-CG2 3.6Å; I68-I104 HydrophobicContact CG1-CG2 4.47Å; I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.91Å; I68-L109 HydrophobicContact CG2-CD2 4.42Å
69	G	98	Very high	97.2	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.8	179.8	0	0	0	0	0	113.2	V53 R54 G84	V53-G69 CarbonylContact C-O 3.54Å; V53-G69 WeakPolarHBondContact CA-O 3.26Å; R54-G69 PolarHBondContact N-O 3.34Å; R54-G69 PolarHBondContact O-N 3.14Å; G69-G84 CarbonylContact C-O 3.55Å; G69-G84 WeakPolarHBondContact CA-O 3.16Å
70	F	97.9	Very high	97.4	Very high	4 Å²	4	35 Å²	35	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.2	172.4	-75.5	-102.5	0	0	0	109.8	F38 W51 V53 I74 I79 G84 V86 L109 L113	F38-F70 HydrophobicContact CD1-CE1 4.13Å; F38-F70 HydrophobicContact CD1-CZ 4.44Å; F38-F70 HydrophobicContact CE1-CE1 4.48Å; W51-F70 HydrophobicContact CB-CD1 3.63Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.57Å; W51-F70 HydrophobicContact CD2-CD1 4.27Å; W51-F70 HydrophobicContact CD2-CE1 4.18Å; W51-F70 AromaticContact CG-CD1 3.54Å; W51-F70 HydrophobicContact CG-CD1 3.54Å; W51-F70 AromaticContact CG-CE1 3.84Å; W51-F70 HydrophobicContact CG-CE1 3.84Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.81Å; V53-F70 HydrophobicContact CG2-CG 4.44Å; V53-F70 HydrophobicContact CG2-CZ 4.14Å; F70-I74 HydrophobicContact CB-CG2 3.89Å; F70-I74 HydrophobicContact CD1-CB 4.31Å; F70-I74 HydrophobicContact CD1-CD1 4.05Å; F70-I74 HydrophobicContact CD1-CG2 4.06Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.72Å; F70-I74 HydrophobicContact CG-CB 4.49Å; F70-I74 HydrophobicContact CG-CG2 3.77Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; F70-I79 HydrophobicContact CD2-CD1 3.78Å; F70-I79 HydrophobicContact CD2-CG2 4.21Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; F70-G84 PolarHBondContact N-O 2.78Å; F70-G84 WeakPolarHBondContact O-CA 3.15Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.79Å; F70-L109 HydrophobicContact CE2-CD2 4.08Å; F70-L109 HydrophobicContact CZ-CD2 4.15Å; F70-L113 HydrophobicContact CZ-CD1 4.34Å
71	M	96	Very high	97.4	Very high	68 Å²	68	31.2 Å²	31.2	34%	0.335	16%	0.155	S	C	.	.	S	Bend	trans	-73	-34.8	-176.2	-59.1	178.9	68.2	0	0	112.2	A35 R52 R54 C158 T161	A35-M71 HydrophobicContact CB-SD 4.02Å; R52-M71 HydrophobicContact CB-CB 4.08Å; R52-M71 HydrophobicContact CB-CG 4.24Å; R52-M71 HydrophobicContact CB-SD 3.85Å; R52-M71 HydrophobicContact CG-SD 3.74Å; R52-M71 WeakPolarHBondContact O-CB 3.11Å; R52-M71 PolarHBondContact O-N 3.18Å; R54-M71 HydrophobicContact CB-CG 3.92Å; R54-M71 HydrophobicContact CB-SD 4.21Å; M71-C158 VanDerWaalsContact CB-SG 3.52Å; M71-C158 HydrophobicContact CE-CB 4.44Å; M71-T161 HydrophobicContact CE-CG2 4.26Å; M71-T161 HydrophobicContact SD-CG2 4.4Å
72	N	95.7	Very high	97.3	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-100.2	150.5	169.1	63.2	-55.8	0	0	0	110.5	V50 W51 R52 Y148 L154	V50-N72 PolarHBondContact O-ND2 2.96Å; V50-N72 VanDerWaalsContact O-ND2 3.14Å; W51-N72 WeakPolarHBondContact CA-OD1 3.43Å; W51-N72 WeakPolarHBondContact CB-OD1 3.5Å; W51-N72 VanDerWaalsContact CD1-CG 3.43Å; R52-N72 PolarHBondContact N-OD1 3.03Å; N72-Y148 PolarHBondContact ND2-O 2.93Å; N72-L154 HydrophobicContact CB-CD2 4.48Å
73	K	97.3	Very high	97.4	Very high	77 Å²	77	38.5 Å²	38.5	34%	0.335	21%	0.211	S	C	.	.			trans	-59.8	141	-169	-72.2	-179.1	168.3	-74.7	0	113.2	W51 E81 F144 Y148	W51-K73 PolarHBondContact NE1-O 3.46Å; W51-K73 VanDerWaalsContact NE1-O 3.07Å; K73-E81 PolarHBondContact NZ-O 3.31Å; K73-E81 VanDerWaalsContact NZ-O 3.12Å; K73-F144 HydrophobicContact CB-CD1 4.38Å; K73-F144 HydrophobicContact CB-CE1 4.48Å; K73-Y148 HydrophobicContact CB-CD1 4.31Å; K73-Y148 HydrophobicContact CB-CD2 3.91Å; K73-Y148 HydrophobicContact CB-CE2 4.48Å; K73-Y148 HydrophobicContact CB-CG 3.81Å; K73-Y148 HydrophobicContact CD-CD1 4.2Å; K73-Y148 HydrophobicContact CD-CD2 4.35Å; K73-Y148 HydrophobicContact CD-CE1 3.97Å; K73-Y148 HydrophobicContact CD-CE2 4.14Å; K73-Y148 HydrophobicContact CD-CG 4.38Å
74	I	98.2	Very high	97.5	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	18%	0.178	C	C	.	.			trans	-135.8	145.7	171.1	-171.9	165.7	0	0	0	109.3	Y46 W51 F70 H76 I79 L113	Y46-I74 HydrophobicContact CD1-CD1 4.08Å; Y46-I74 HydrophobicContact CD1-CG1 4.23Å; Y46-I74 HydrophobicContact CE1-CD1 4.04Å; Y46-I74 HydrophobicContact CE1-CG1 3.91Å; W51-I74 HydrophobicContact CD2-CD1 4.47Å; W51-I74 HydrophobicContact CZ2-CD1 3.98Å; W51-I74 HydrophobicContact CZ2-CG1 4.05Å; F70-I74 HydrophobicContact CB-CG2 3.89Å; F70-I74 HydrophobicContact CD1-CB 4.31Å; F70-I74 HydrophobicContact CD1-CD1 4.05Å; F70-I74 HydrophobicContact CD1-CG2 4.06Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.72Å; F70-I74 HydrophobicContact CG-CB 4.49Å; F70-I74 HydrophobicContact CG-CG2 3.77Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; I74-H76 HydrophobicContact CG1-CB 4.44Å; I74-I79 HydrophobicContact CD1-CD1 4.08Å; I74-I79 HydrophobicContact CG2-CB 4.16Å; I74-I79 HydrophobicContact CG2-CD1 3.79Å; I74-I79 HydrophobicContact CG2-CG2 3.64Å; I74-L113 HydrophobicContact CD1-CD1 4.37Å; I74-L113 HydrophobicContact CD1-CD2 4.24Å; I74-L113 HydrophobicContact CD1-CG 4.4Å
75	F	98.3	Very high	97.5	Very high	1 Å²	1	28 Å²	28	0%	0.004	17%	0.172	C	C	.	.			trans	-105.5	105.1	174.9	-170.6	-107.8	0	0	0	109.6	Y46 D125 A126 L129 F137 K140 F144	Y46-F75 WeakPolarHBondContact CE1-O 3.24Å; Y46-F75 PolarHBondContact OH-O 3.25Å; F75-D125 HydrophobicContact CE2-CB 4.38Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; F75-A126 HydrophobicContact CD1-CB 4.11Å; F75-A126 HydrophobicContact CD2-CB 4.28Å; F75-A126 HydrophobicContact CE1-CB 3.62Å; F75-A126 HydrophobicContact CE2-CB 3.79Å; F75-A126 HydrophobicContact CG-CB 4.42Å; F75-A126 HydrophobicContact CZ-CB 3.45Å; F75-A126 VanDerWaalsContact CZ-CB 3.45Å; F75-L129 HydrophobicContact CE1-CD1 4Å; F75-L129 HydrophobicContact CZ-CD1 3.98Å; F75-F137 HydrophobicContact CD1-CD2 4.36Å; F75-F137 HydrophobicContact CD1-CE2 4.23Å; F75-F137 AromaticContact CE1-CD2 3.99Å; F75-F137 HydrophobicContact CE1-CD2 3.99Å; F75-F137 HydrophobicContact CE1-CE2 4.17Å; F75-K140 HydrophobicContact CD1-CB 4.26Å; F75-K140 HydrophobicContact CD1-CD 4.08Å; F75-K140 HydrophobicContact CD1-CG 3.92Å; F75-K140 HydrophobicContact CD2-CD 4.34Å; F75-K140 HydrophobicContact CE1-CB 4.21Å; F75-K140 HydrophobicContact CE1-CD 3.59Å; F75-K140 HydrophobicContact CE1-CG 3.92Å; F75-K140 HydrophobicContact CE2-CD 3.91Å; F75-K140 HydrophobicContact CG-CD 4.43Å; F75-K140 HydrophobicContact CG-CG 4.25Å; F75-K140 HydrophobicContact CZ-CD 3.49Å; F75-K140 VanDerWaalsContact CZ-CD 3.49Å; F75-K140 VanDerWaalsContact CZ-CE 3.47Å; F75-K140 HydrophobicContact CZ-CG 4.26Å; F75-F144 HydrophobicContact CB-CB 4.28Å; F75-F144 HydrophobicContact CB-CD1 3.72Å; F75-F144 HydrophobicContact CB-CD2 4.12Å; F75-F144 HydrophobicContact CB-CE1 3.97Å; F75-F144 HydrophobicContact CB-CE2 4.37Å; F75-F144 HydrophobicContact CB-CG 3.78Å; F75-F144 HydrophobicContact CB-CZ 4.28Å; F75-F144 HydrophobicContact CD2-CE1 4.37Å; F75-F144 HydrophobicContact CD2-CE2 4.38Å; F75-F144 HydrophobicContact CD2-CZ 4.09Å
76	H	98.4	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.			trans	-154.3	139.4	-174.7	-174.7	-83.7	0	0	0	111.6	Y46 I74 N78 I79 L112 N123	Y46-H76 AromaticContact CZ-CD2 3.84Å; Y46-H76 PolarHBondContact OH-CD2 3.05Å; Y46-H76 VanDerWaalsContact OH-CD2 3.26Å; I74-H76 HydrophobicContact CG1-CB 4.44Å; H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact CE1-OD1 3.47Å; H76-N78 PolarHBondContact ND1-N 3.12Å; H76-N78 PolarHBondContact O-N 3.23Å; H76-I79 HydrophobicContact CB-CB 4.05Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.88Å; H76-I79 PolarHBondContact O-N 3.4Å; H76-I79 VanDerWaalsContact O-O 3.07Å; H76-L112 PolarHBondContact NE2-O 2.86Å; H76-N123 WeakPolarHBondContact O-CB 3.15Å
77	P	98	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41	-178	-30.1	37.7	0	0	0	115.3	P116 P121 L122 N123 A126 A127 F137	P77-P116 HydrophobicContact CB-CB 4.07Å; P77-P116 HydrophobicContact CG-CB 3.62Å; P77-P116 HydrophobicContact CG-CG 4.17Å; P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.51Å; P77-P121 WeakPolarHBondContact O-CA 3.28Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P77-L122 PolarHBondContact O-N 3.3Å; P77-N123 PolarHBondContact O-N 3.46Å; P77-A126 HydrophobicContact CG-CB 4.08Å; P77-A127 HydrophobicContact CB-CB 4.15Å; P77-F137 HydrophobicContact CG-CE2 4.41Å
78	N	98.1	Very high	97.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	15.9	-177.6	-49	106.1	0	0	0	114.7	H76 C87 V90 L112 N117	H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact CE1-OD1 3.47Å; H76-N78 PolarHBondContact ND1-N 3.12Å; H76-N78 PolarHBondContact O-N 3.23Å; N78-C87 HydrophobicContact CB-CB 4.35Å; N78-C87 PolarHBondContact O-N 3.27Å; N78-V90 HydrophobicContact CB-CG2 4.24Å; N78-L112 HydrophobicContact CB-CD1 4.19Å; N78-N117 PolarHBondContact ND2-O 2.92Å; N78-N117 PolarHBondContact OD1-N 3.41Å; N78-N117 PolarHBondContact OD1-O 2.84Å
79	I	98.4	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-127.8	126.4	178.6	-53.1	176.3	0	0	0	108.2	F70 I74 H76 E81 G84 T85 V86	F70-I79 HydrophobicContact CD2-CD1 3.78Å; F70-I79 HydrophobicContact CD2-CG2 4.21Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; I74-I79 HydrophobicContact CD1-CD1 4.08Å; I74-I79 HydrophobicContact CG2-CB 4.16Å; I74-I79 HydrophobicContact CG2-CD1 3.79Å; I74-I79 HydrophobicContact CG2-CG2 3.64Å; H76-I79 HydrophobicContact CB-CB 4.05Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.88Å; H76-I79 PolarHBondContact O-N 3.4Å; H76-I79 VanDerWaalsContact O-O 3.07Å; I79-E81 PolarHBondContact O-N 2.89Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.39Å; I79-T85 WeakPolarHBondContact CA-O 3.34Å; I79-V86 HydrophobicContact CD1-CG2 4.38Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å
80	D	97.9	Very high	97	Very high	53 Å²	53	34.5 Å²	34.5	28%	0.283	20%	0.2	S	C	.	.			trans	-66.1	127.9	175.5	175.1	56	0	0	0	110.5	A82 S83 G84 T85 L122	D80-A82 VanDerWaalsContact C-N 3.32Å; D80-A82 PolarHBondContact O-N 3.16Å; D80-A82 PolarHBondContact OD2-N 2.96Å; D80-S83 WeakPolarHBondContact CB-OG 3.44Å; D80-S83 VanDerWaalsContact OD2-CB 3.26Å; D80-S83 WeakPolarHBondContact OD2-CB 3.34Å; D80-S83 PolarHBondContact OD2-N 2.81Å; D80-S83 PolarHBondContact OD2-OG 2.73Å; D80-G84 WeakPolarHBondContact O-CA 3.38Å; D80-G84 PolarHBondContact O-N 2.85Å; D80-T85 PolarHBondContact N-O 2.91Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.27Å
81	E	96.5	Very high	96.9	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.28	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.4	-173.5	-171.3	178.6	143.8	0	0	113.1	K73 I79 N123 F144	K73-E81 PolarHBondContact NZ-O 3.31Å; K73-E81 VanDerWaalsContact NZ-O 3.12Å; I79-E81 PolarHBondContact O-N 2.89Å; E81-N123 PolarHBondContact OE2-ND2 3.32Å; E81-N123 VanDerWaalsContact OE2-ND2 3.15Å; E81-F144 HydrophobicContact CG-CE1 4.24Å; E81-F144 WeakPolarHBondContact OE1-CZ 3.36Å
82	A	95.3	Very high	96.8	Very high	89 Å²	89	35 Å²	35	74%	0.736	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-50.6	-177.7	0	0	0	0	0	111.5	D80	D80-A82 VanDerWaalsContact C-N 3.32Å; D80-A82 PolarHBondContact O-N 3.16Å; D80-A82 PolarHBondContact OD2-N 2.96Å
83	S	96.4	Very high	96.8	Very high	69 Å²	69	41.6 Å²	41.6	48%	0.483	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-22.2	-177.2	64	0	0	0	0	114.3	D80 T85	D80-S83 WeakPolarHBondContact CB-OG 3.44Å; D80-S83 VanDerWaalsContact OD2-CB 3.26Å; D80-S83 WeakPolarHBondContact OD2-CB 3.34Å; D80-S83 PolarHBondContact OD2-N 2.81Å; D80-S83 PolarHBondContact OD2-OG 2.73Å; S83-T85 PolarHBondContact O-N 2.57Å; S83-T85 WeakPolarHBondContact OG-CB 3.41Å; S83-T85 PolarHBondContact OG-N 3.39Å; S83-T85 PolarHBondContact OG-OG1 3.43Å
84	G	97.4	Very high	96.6	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	24%	0.235	C	C	.	.			trans	76.2	4.7	-171.1	0	0	0	0	0	114.2	G69 F70 I79 D80 V86	G69-G84 CarbonylContact C-O 3.55Å; G69-G84 WeakPolarHBondContact CA-O 3.16Å; F70-G84 PolarHBondContact N-O 2.78Å; F70-G84 WeakPolarHBondContact O-CA 3.15Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.39Å; D80-G84 WeakPolarHBondContact O-CA 3.38Å; D80-G84 PolarHBondContact O-N 2.85Å; G84-V86 PolarHBondContact O-N 3.12Å
85	T	98	Very high	96.5	Very high	66 Å²	66	41 Å²	41	41%	0.405	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-67.3	129.9	-177.7	-60.3	0	0	0	0	111.7	I79 D80 S83	I79-T85 WeakPolarHBondContact CA-O 3.34Å; D80-T85 PolarHBondContact N-O 2.91Å; S83-T85 PolarHBondContact O-N 2.57Å; S83-T85 WeakPolarHBondContact OG-CB 3.41Å; S83-T85 PolarHBondContact OG-N 3.39Å; S83-T85 PolarHBondContact OG-OG1 3.43Å
86	V	98.1	Very high	96.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-77.3	136.1	171.6	-178.3	0	0	0	0	109.1	I68 F70 I79 G84 L88 I91 F108 L112	I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.07Å; I68-V86 HydrophobicContact CG2-CG2 3.84Å; I68-V86 PolarHBondContact O-N 2.82Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.79Å; I79-V86 HydrophobicContact CD1-CG2 4.38Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å; G84-V86 PolarHBondContact O-N 3.12Å; V86-L88 PolarHBondContact O-N 3.25Å; V86-L88 VanDerWaalsContact O-N 3.16Å; V86-I91 HydrophobicContact CB-CD1 4.15Å; V86-I91 HydrophobicContact CG1-CD1 4.16Å; V86-I91 HydrophobicContact CG1-CG1 3.98Å; V86-F108 HydrophobicContact CG1-CE1 4.34Å; V86-F108 HydrophobicContact CG1-CZ 4.35Å; V86-L112 HydrophobicContact CG1-CD2 3.74Å
87	C	96.5	Very high	96.3	Very high	18 Å²	18	46.2 Å²	46.2	12%	0.122	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-52.1	120.4	178.6	-178.8	0	0	0	0	112	N78 D89 V90 I91 L122	N78-C87 HydrophobicContact CB-CB 4.35Å; N78-C87 PolarHBondContact O-N 3.27Å; C87-D89 VanDerWaalsContact C-N 3.26Å; C87-D89 PolarHBondContact O-N 2.88Å; C87-V90 HydrophobicContact CB-CB 4.16Å; C87-V90 HydrophobicContact CB-CG2 3.85Å; C87-V90 WeakPolarHBondContact O-CB 3.48Å; C87-V90 PolarHBondContact O-N 3.14Å; C87-V90 VanDerWaalsContact O-N 3.14Å; C87-I91 PolarHBondContact O-N 2.9Å; C87-I91 VanDerWaalsContact O-N 3.14Å; C87-L122 HydrophobicContact CB-CD1 3.75Å; C87-L122 HydrophobicContact CB-CG 4.02Å
88	L	95.1	Very high	96.1	Very high	86 Å²	86	53.2 Å²	53.2	45%	0.45	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-34.4	-177.1	-176.1	61.3	0	0	0	112.3	S65 V86 V90 I91 N92	S65-L88 WeakPolarHBondContact OG-CD1 3.46Å; V86-L88 PolarHBondContact O-N 3.25Å; V86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 3.46Å; L88-I91 WeakPolarHBondContact O-CB 3.36Å; L88-I91 PolarHBondContact O-N 2.8Å; L88-N92 WeakPolarHBondContact O-CB 3.26Å; L88-N92 PolarHBondContact O-N 2.89Å; L88-N92 PolarHBondContact O-ND2 3.07Å
89	D	94.5	Very high	96	Very high	104 Å²	104	55 Å²	55	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-67.3	-36.6	178	-67.2	-22.4	0	0	0	111.8	C87 N92 Q93	C87-D89 VanDerWaalsContact C-N 3.26Å; C87-D89 PolarHBondContact O-N 2.88Å; D89-N92 PolarHBondContact O-N 3.26Å; D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.43Å; D89-Q93 PolarHBondContact O-N 2.81Å; D89-Q93 VanDerWaalsContact O-N 3.1Å
90	V	94.5	Very high	95.8	Very high	15 Å²	15	57.9 Å²	57.9	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-39.5	173.8	176.7	0	0	0	0	110.9	N78 C87 L88 Q93 F108 L112	N78-V90 HydrophobicContact CB-CG2 4.24Å; C87-V90 HydrophobicContact CB-CB 4.16Å; C87-V90 HydrophobicContact CB-CG2 3.85Å; C87-V90 WeakPolarHBondContact O-CB 3.48Å; C87-V90 PolarHBondContact O-N 3.14Å; C87-V90 VanDerWaalsContact O-N 3.14Å; L88-V90 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 3.46Å; V90-Q93 PolarHBondContact O-N 2.91Å; V90-F108 HydrophobicContact CG1-CE2 4.19Å; V90-F108 HydrophobicContact CG1-CZ 4.18Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.49Å
91	I	95.7	Very high	95.7	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-47.2	174	-61.1	170.2	0	0	0	110.2	I68 V86 C87 L88 Q93 A94 W95 F108	I68-I91 HydrophobicContact CB-CD1 4.1Å; I68-I91 HydrophobicContact CD1-CD1 4Å; I68-I91 HydrophobicContact CD1-CG1 4.25Å; I68-I91 HydrophobicContact CG1-CD1 4.05Å; V86-I91 HydrophobicContact CB-CD1 4.15Å; V86-I91 HydrophobicContact CG1-CD1 4.16Å; V86-I91 HydrophobicContact CG1-CG1 3.98Å; C87-I91 PolarHBondContact O-N 2.9Å; C87-I91 VanDerWaalsContact O-N 3.14Å; L88-I91 WeakPolarHBondContact O-CB 3.36Å; L88-I91 PolarHBondContact O-N 2.8Å; I91-Q93 PolarHBondContact O-N 3.14Å; I91-A94 PolarHBondContact O-N 3.37Å; I91-W95 HydrophobicContact CG2-CB 4.48Å; I91-W95 WeakPolarHBondContact O-CB 3.4Å; I91-W95 PolarHBondContact O-N 3.12Å; I91-F108 HydrophobicContact CB-CZ 4.3Å; I91-F108 HydrophobicContact CG1-CE1 4.04Å; I91-F108 HydrophobicContact CG1-CZ 3.73Å
92	N	95.3	Very high	95.7	Very high	76 Å²	76	53.1 Å²	53.1	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-23.2	-177.2	-76.9	-32.4	0	0	0	113.8	S65 L88 D89 A94	S65-N92 WeakPolarHBondContact CB-OD1 3.49Å; S65-N92 PolarHBondContact OG-OD1 2.98Å; S65-N92 VanDerWaalsContact OG-OD1 3.06Å; L88-N92 WeakPolarHBondContact O-CB 3.26Å; L88-N92 PolarHBondContact O-N 2.89Å; L88-N92 PolarHBondContact O-ND2 3.07Å; D89-N92 PolarHBondContact O-N 3.26Å; N92-A94 VanDerWaalsContact C-N 3.3Å
93	Q	94.1	Very high	95.8	Very high	143 Å²	143	51.8 Å²	51.8	67%	0.668	29%	0.292	S	S	*	.	H	α-helix	trans	-67.6	-30.6	172.5	-73.5	167.8	16.1	0	0	112.6	D89 V90 I91	D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.43Å; D89-Q93 PolarHBondContact O-N 2.81Å; D89-Q93 VanDerWaalsContact O-N 3.1Å; V90-Q93 PolarHBondContact O-N 2.91Å; I91-Q93 PolarHBondContact O-N 3.14Å
94	A	93.7	Very high	95.8	Very high	39 Å²	39	48.6 Å²	48.6	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-98.2	-28.9	-179.8	0	0	0	0	0	113.2	I91 N92 F99 F108	I91-A94 PolarHBondContact O-N 3.37Å; N92-A94 VanDerWaalsContact C-N 3.3Å; A94-F99 WeakPolarHBondContact O-CD2 3.27Å; A94-F108 HydrophobicContact CB-CD2 3.75Å; A94-F108 HydrophobicContact CB-CE2 4.04Å
95	W	97.2	Very high	95.8	Very high	27 Å²	27	48.7 Å²	48.7	10%	0.102	27%	0.269	C	S	.	.			trans	-72.7	136.4	-171.5	-173.3	-98.5	0	0	0	113.2	Y61 P62 P66 I91 F99 L101 I104	Y61-W95 HydrophobicContact CD2-CZ2 4.11Å; Y61-W95 AromaticContact CE2-CH2 3.6Å; Y61-W95 HydrophobicContact CE2-CH2 3.6Å; Y61-W95 AromaticContact CE2-CZ2 3.48Å; Y61-W95 HydrophobicContact CE2-CZ2 3.48Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.48Å; P62-W95 HydrophobicContact CB-CZ2 4.26Å; P62-W95 PolarHBondContact O-NE1 3.18Å; P66-W95 VanDerWaalsContact CD-CE3 3.47Å; P66-W95 VanDerWaalsContact CD-CZ3 3.5Å; P66-W95 HydrophobicContact CG-CE3 4.03Å; P66-W95 HydrophobicContact CG-CH2 4.22Å; P66-W95 HydrophobicContact CG-CZ3 3.81Å; I91-W95 HydrophobicContact CG2-CB 4.48Å; I91-W95 WeakPolarHBondContact O-CB 3.4Å; I91-W95 PolarHBondContact O-N 3.12Å; W95-F99 HydrophobicContact CD2-CB 4.24Å; W95-F99 HydrophobicContact CE3-CB 3.89Å; W95-F99 AromaticContact CE3-CD1 3.73Å; W95-F99 HydrophobicContact CE3-CD1 3.73Å; W95-F99 AromaticContact CE3-CG 3.94Å; W95-F99 HydrophobicContact CE3-CG 3.94Å; W95-F99 HydrophobicContact CH2-CB 4.33Å; W95-F99 HydrophobicContact CZ3-CB 3.95Å; W95-F99 AromaticContact CZ3-CD1 3.57Å; W95-F99 HydrophobicContact CZ3-CD1 3.57Å; W95-F99 HydrophobicContact CZ3-CE1 4.45Å; W95-F99 HydrophobicContact CZ3-CG 4.08Å; W95-L101 HydrophobicContact CH2-CD2 3.92Å; W95-L101 HydrophobicContact CZ3-CD2 4.29Å; W95-I104 HydrophobicContact CZ3-CD1 4.28Å
96	T	96.4	Very high	95.8	Very high	79 Å²	79	49.9 Å²	49.9	49%	0.485	27%	0.269	S	S	.	.			trans	-137.4	161	167.9	71.3	0	0	0	0	109.3	L98 F99	T96-L98 PolarHBondContact O-N 2.82Å; T96-F99 WeakPolarHBondContact O-CB 3.45Å; T96-F99 PolarHBondContact O-N 2.84Å; T96-F99 PolarHBondContact OG1-N 2.97Å
97	A	95	Very high	95.7	Very high	33 Å²	33	52.5 Å²	52.5	27%	0.273	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-7.6	178.6	0	0	0	0	0	114.6	R10 P62 F63	R10-A97 PolarHBondContact NH1-O 3.47Å; R10-A97 PolarHBondContact NH2-O 3.07Å; P62-A97 HydrophobicContact CB-CB 4.47Å; P62-A97 HydrophobicContact CG-CB 4.2Å; F63-A97 HydrophobicContact CD1-CB 4.16Å; F63-A97 HydrophobicContact CE1-CB 4.39Å
98	L	95.1	Very high	95.8	Very high	147 Å²	147	52.7 Å²	52.7	77%	0.77	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	0.9	175.8	-60.6	178.2	0	0	0	112.5	T96 D100	T96-L98 PolarHBondContact O-N 2.82Å; L98-D100 PolarHBondContact O-N 3.09Å
99	F	94.4	Very high	95.9	Very high	38 Å²	38	48.6 Å²	48.6	17%	0.167	27%	0.266	C	S	.	.			trans	-68.2	129.8	180	-161.4	-82.9	0	0	0	110.2	A94 W95 T96 N103 I104 F108	A94-F99 WeakPolarHBondContact O-CD2 3.27Å; W95-F99 HydrophobicContact CD2-CB 4.24Å; W95-F99 HydrophobicContact CE3-CB 3.89Å; W95-F99 AromaticContact CE3-CD1 3.73Å; W95-F99 HydrophobicContact CE3-CD1 3.73Å; W95-F99 AromaticContact CE3-CG 3.94Å; W95-F99 HydrophobicContact CE3-CG 3.94Å; W95-F99 HydrophobicContact CH2-CB 4.33Å; W95-F99 HydrophobicContact CZ3-CB 3.95Å; W95-F99 AromaticContact CZ3-CD1 3.57Å; W95-F99 HydrophobicContact CZ3-CD1 3.57Å; W95-F99 HydrophobicContact CZ3-CE1 4.45Å; W95-F99 HydrophobicContact CZ3-CG 4.08Å; T96-F99 WeakPolarHBondContact O-CB 3.45Å; T96-F99 PolarHBondContact O-N 2.84Å; T96-F99 PolarHBondContact OG1-N 2.97Å; F99-N103 HydrophobicContact CD1-CB 4.28Å; F99-N103 HydrophobicContact CE1-CB 3.52Å; F99-N103 HydrophobicContact CZ-CB 3.69Å; F99-I104 HydrophobicContact CE1-CG1 4.13Å; F99-F108 HydrophobicContact CZ-CB 4.43Å
100	D	94.6	Very high	96.1	Very high	60 Å²	60	45 Å²	45	32%	0.321	25%	0.247	S	C	.	.			trans	-77	133.2	177.5	-168.8	-30.9	0	0	0	110.3	L98 S102 N103	L98-D100 PolarHBondContact O-N 3.09Å; D100-S102 PolarHBondContact O-N 2.99Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.23Å; D100-S102 PolarHBondContact OD1-OG 2.95Å; D100-N103 HydrophobicContact CB-CB 4.47Å; D100-N103 WeakPolarHBondContact O-CB 3.46Å; D100-N103 PolarHBondContact O-N 3.48Å
101	L	96	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.9	176.3	-71.8	179.8	0	0	0	112.4	D14 V15 L18 F34 L57 Y61 W95 N103 I104	D14-L101 HydrophobicContact CB-CD1 3.68Å; D14-L101 HydrophobicContact CB-CG 4.06Å; V15-L101 HydrophobicContact CG2-CD1 3.83Å; L18-L101 HydrophobicContact CD2-CB 4.42Å; F34-L101 HydrophobicContact CZ-CD1 4.28Å; L57-L101 HydrophobicContact CD1-CD1 4.15Å; L57-L101 HydrophobicContact CD2-CD2 4.04Å; Y61-L101 HydrophobicContact CE2-CD2 4.01Å; Y61-L101 WeakPolarHBondContact OH-CG 3.49Å; W95-L101 HydrophobicContact CH2-CD2 3.92Å; W95-L101 HydrophobicContact CZ3-CD2 4.29Å; L101-N103 PolarHBondContact O-N 3.02Å; L101-I104 HydrophobicContact CD2-CD1 3.8Å; L101-I104 VanDerWaalsContact O-CB 3.26Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 WeakPolarHBondContact O-CG1 3.18Å; L101-I104 PolarHBondContact O-N 3.05Å; L101-I104 VanDerWaalsContact O-N 3.12Å
102	S	96.6	Very high	96.3	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-33.6	176.9	-51.2	0	0	0	0	111.7	D100 I104 F105 E106	D100-S102 PolarHBondContact O-N 2.99Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.23Å; D100-S102 PolarHBondContact OD1-OG 2.95Å; S102-I104 PolarHBondContact O-N 2.88Å; S102-F105 PolarHBondContact O-N 2.78Å; S102-E106 WeakPolarHBondContact O-CG 3.46Å; S102-E106 PolarHBondContact O-N 3.28Å
103	N	96.9	Very high	96.4	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	25%	0.25	S	S	.	.	H	α-helix	trans	-67.9	-15.4	179.2	-71.8	-21.2	0	0	0	113.1	F99 D100 L101 F105 S107 F108	F99-N103 HydrophobicContact CD1-CB 4.28Å; F99-N103 HydrophobicContact CE1-CB 3.52Å; F99-N103 HydrophobicContact CZ-CB 3.69Å; D100-N103 HydrophobicContact CB-CB 4.47Å; D100-N103 WeakPolarHBondContact O-CB 3.46Å; D100-N103 PolarHBondContact O-N 3.48Å; L101-N103 PolarHBondContact O-N 3.02Å; N103-F105 VanDerWaalsContact C-N 3.27Å; N103-F105 PolarHBondContact O-N 3.31Å; N103-S107 WeakPolarHBondContact O-CA 3.42Å; N103-S107 WeakPolarHBondContact O-CB 3.47Å; N103-S107 PolarHBondContact O-N 3.24Å; N103-F108 PolarHBondContact O-N 3.16Å
104	I	97.6	Very high	96.5	Very high	3 Å²	3	41 Å²	41	2%	0.015	23%	0.232	C	C	.	.	I	π-helix	trans	-58	-46.4	169.9	-64.1	173.5	0	0	0	109.5	P66 I68 W95 F99 L101 S102 F108 L109	P66-I104 HydrophobicContact CG-CD1 3.78Å; I68-I104 HydrophobicContact CD1-CD1 4.4Å; I68-I104 HydrophobicContact CD1-CG2 3.6Å; I68-I104 HydrophobicContact CG1-CG2 4.47Å; W95-I104 HydrophobicContact CZ3-CD1 4.28Å; F99-I104 HydrophobicContact CE1-CG1 4.13Å; L101-I104 HydrophobicContact CD2-CD1 3.8Å; L101-I104 VanDerWaalsContact O-CB 3.26Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 WeakPolarHBondContact O-CG1 3.18Å; L101-I104 PolarHBondContact O-N 3.05Å; L101-I104 VanDerWaalsContact O-N 3.12Å; S102-I104 PolarHBondContact O-N 2.88Å; I104-F108 HydrophobicContact CG2-CD1 4.45Å; I104-L109 HydrophobicContact CG2-CD1 4.09Å; I104-L109 HydrophobicContact CG2-CG 4.18Å; I104-L109 WeakPolarHBondContact O-CB 3.44Å; I104-L109 WeakPolarHBondContact O-CG 3.32Å; I104-L109 PolarHBondContact O-N 3.22Å
105	F	97.8	Very high	96.6	Very high	8 Å²	8	47 Å²	47	4%	0.035	25%	0.247	C	C	.	.	I	π-helix	trans	-89.6	-27	-175.7	-55.3	-73.5	0	0	0	113.2	L18 V36 F38 V53 V55 S102 N103 L109 P110	L18-F105 HydrophobicContact CD1-CD2 4.12Å; L18-F105 HydrophobicContact CD1-CE2 4.26Å; L18-F105 HydrophobicContact CD2-CE2 4.05Å; V36-F105 HydrophobicContact CB-CD1 4.23Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.01Å; V36-F105 HydrophobicContact CB-CZ 3.45Å; V36-F105 VanDerWaalsContact CB-CZ 3.45Å; V36-F105 HydrophobicContact CG1-CD1 4.07Å; V36-F105 HydrophobicContact CG1-CD2 4.27Å; V36-F105 HydrophobicContact CG1-CE1 3.94Å; V36-F105 HydrophobicContact CG1-CE2 4.14Å; V36-F105 HydrophobicContact CG1-CG 4.24Å; V36-F105 HydrophobicContact CG1-CZ 3.97Å; V36-F105 HydrophobicContact CG2-CE1 4.05Å; V36-F105 HydrophobicContact CG2-CE2 3.63Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å; F38-F105 HydrophobicContact CB-CD1 4.5Å; F38-F105 HydrophobicContact CD2-CB 4.49Å; F38-F105 HydrophobicContact CD2-CD1 4.19Å; V53-F105 HydrophobicContact CB-CE1 4Å; V53-F105 HydrophobicContact CG1-CE1 3.97Å; V55-F105 HydrophobicContact CG2-CZ 3.75Å; S102-F105 PolarHBondContact O-N 2.78Å; N103-F105 VanDerWaalsContact C-N 3.27Å; N103-F105 PolarHBondContact O-N 3.31Å; F105-L109 HydrophobicContact CD1-CD1 3.88Å; F105-L109 HydrophobicContact CE1-CD1 4.07Å; F105-P110 WeakPolarHBondContact O-CD 3.34Å; F105-P110 VanDerWaalsContact O-CG 3.28Å; F105-P110 WeakPolarHBondContact O-CG 3.36Å
106	E	96.8	Very high	96.4	Very high	90 Å²	90	46.1 Å²	46.1	42%	0.421	25%	0.245	S	C	.	.	I	π-helix	trans	-89.7	-26.3	-178.1	-62.1	-166.6	165.7	0	0	114.1	K22 H23 S102	K22-E106 WeakPolarHBondContact CE-OE1 3.45Å; K22-E106 IonicContact NZ-OE1 2.73Å; K22-E106 PolarHBondContact NZ-OE1 3.4Å; H23-E106 IonicContact CE1-OE1 3.91Å; H23-E106 WeakPolarHBondContact NE2-CG 3.06Å; H23-E106 IonicContact NE2-OE1 3.35Å; H23-E106 PolarHBondContact NE2-OE1 3.14Å; S102-E106 WeakPolarHBondContact O-CG 3.46Å; S102-E106 PolarHBondContact O-N 3.28Å
107	S	96.8	Very high	96	Very high	58 Å²	58	44.4 Å²	44.4	41%	0.406	23%	0.233	S	C	.	.	I	π-helix	trans	-129.8	-60.1	-173.8	-172.7	0	0	0	0	112.2	N103 P110 Q111	N103-S107 WeakPolarHBondContact O-CA 3.42Å; N103-S107 WeakPolarHBondContact O-CB 3.47Å; N103-S107 PolarHBondContact O-N 3.24Å; S107-P110 WeakPolarHBondContact O-CD 3.47Å; S107-Q111 VanDerWaalsContact O-CB 3.31Å; S107-Q111 WeakPolarHBondContact O-CB 3.4Å; S107-Q111 WeakPolarHBondContact O-CG 3.42Å; S107-Q111 PolarHBondContact O-N 3.06Å
108	F	97.8	Very high	95.4	Very high	22 Å²	22	45 Å²	45	10%	0.096	23%	0.233	C	C	.	.	I	π-helix	trans	-61	-56.8	-170.5	172.9	-104.6	0	0	0	112.9	I68 V86 V90 I91 A94 F99 N103 I104 Q111 L112	I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.91Å; V86-F108 HydrophobicContact CG1-CE1 4.34Å; V86-F108 HydrophobicContact CG1-CZ 4.35Å; V90-F108 HydrophobicContact CG1-CE2 4.19Å; V90-F108 HydrophobicContact CG1-CZ 4.18Å; I91-F108 HydrophobicContact CB-CZ 4.3Å; I91-F108 HydrophobicContact CG1-CE1 4.04Å; I91-F108 HydrophobicContact CG1-CZ 3.73Å; A94-F108 HydrophobicContact CB-CD2 3.75Å; A94-F108 HydrophobicContact CB-CE2 4.04Å; F99-F108 HydrophobicContact CZ-CB 4.43Å; N103-F108 PolarHBondContact O-N 3.16Å; I104-F108 HydrophobicContact CG2-CD1 4.45Å; F108-Q111 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CE1-CD2 4.31Å; F108-L112 HydrophobicContact CZ-CD2 4.19Å; F108-L112 WeakPolarHBondContact O-CB 3.48Å; F108-L112 PolarHBondContact O-N 2.76Å
109	L	98.2	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-45.2	-179.2	-68.9	176	0	0	0	112.7	F38 V53 I68 F70 I104 F105 Q111 L112 L113	F38-L109 HydrophobicContact CD2-CD1 4.4Å; F38-L109 HydrophobicContact CE1-CB 4.21Å; F38-L109 HydrophobicContact CE2-CB 3.92Å; F38-L109 HydrophobicContact CE2-CD1 4.47Å; F38-L109 HydrophobicContact CG-CD1 4.46Å; F38-L109 HydrophobicContact CZ-CB 3.67Å; V53-L109 HydrophobicContact CG1-CD1 4.15Å; V53-L109 HydrophobicContact CG2-CD1 4.39Å; I68-L109 HydrophobicContact CG2-CD2 4.42Å; F70-L109 HydrophobicContact CE2-CD2 4.08Å; F70-L109 HydrophobicContact CZ-CD2 4.15Å; I104-L109 HydrophobicContact CG2-CD1 4.09Å; I104-L109 HydrophobicContact CG2-CG 4.18Å; I104-L109 WeakPolarHBondContact O-CB 3.44Å; I104-L109 WeakPolarHBondContact O-CG 3.32Å; I104-L109 PolarHBondContact O-N 3.22Å; F105-L109 HydrophobicContact CD1-CD1 3.88Å; F105-L109 HydrophobicContact CE1-CD1 4.07Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.95Å; L109-L112 PolarHBondContact O-N 2.89Å; L109-L113 WeakPolarHBondContact O-CD1 3.13Å; L109-L113 PolarHBondContact O-N 3.29Å
110	P	97.9	Very high	94.5	Very high	27 Å²	27	47.5 Å²	47.5	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-43.3	173.4	-29.8	37.1	0	0	0	113.9	F38 P41 F105 S107 A114	F38-P110 HydrophobicContact CE2-CG 4.09Å; F38-P110 HydrophobicContact CZ-CG 4.27Å; P41-P110 HydrophobicContact CB-CB 4.24Å; F105-P110 WeakPolarHBondContact O-CD 3.34Å; F105-P110 VanDerWaalsContact O-CG 3.28Å; F105-P110 WeakPolarHBondContact O-CG 3.36Å; S107-P110 WeakPolarHBondContact O-CD 3.47Å; P110-A114 WeakPolarHBondContact O-CB 3.49Å; P110-A114 PolarHBondContact O-N 2.9Å; P110-A114 VanDerWaalsContact O-N 3.09Å
111	Q	97.2	Very high	94.4	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-68.8	-41.7	178.2	-70.6	-63	-33.1	0	0	111.9	S107 F108 L109 L113 A114 Y115	S107-Q111 VanDerWaalsContact O-CB 3.31Å; S107-Q111 WeakPolarHBondContact O-CB 3.4Å; S107-Q111 WeakPolarHBondContact O-CG 3.42Å; S107-Q111 PolarHBondContact O-N 3.06Å; F108-Q111 PolarHBondContact O-N 3.45Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.95Å; Q111-L113 PolarHBondContact O-N 2.99Å; Q111-A114 PolarHBondContact O-N 2.92Å; Q111-Y115 PolarHBondContact O-N 2.98Å
112	L	97.2	Very high	94.4	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-47.4	177.1	-178.1	59.4	0	0	0	111.2	H76 N78 V86 V90 F108 L109 A114 Y115	H76-L112 PolarHBondContact NE2-O 2.86Å; N78-L112 HydrophobicContact CB-CD1 4.19Å; V86-L112 HydrophobicContact CG1-CD2 3.74Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.49Å; F108-L112 HydrophobicContact CE1-CD2 4.31Å; F108-L112 HydrophobicContact CZ-CD2 4.19Å; F108-L112 WeakPolarHBondContact O-CB 3.48Å; F108-L112 PolarHBondContact O-N 2.76Å; L109-L112 PolarHBondContact O-N 2.89Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 2.84Å; L112-Y115 CarbonylContact O-C 3.59Å; L112-Y115 VanDerWaalsContact O-C 3.31Å; L112-Y115 PolarHBondContact O-N 2.96Å
113	L	97.8	Very high	94.5	Very high	2 Å²	2	50 Å²	50	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-31.2	178.9	-92.3	62.2	0	0	0	112.9	F38 P41 Y46 F70 I74 L109 Q111	F38-L113 HydrophobicContact CE1-CD2 3.82Å; F38-L113 HydrophobicContact CZ-CD2 4.37Å; P41-L113 HydrophobicContact CG-CB 3.93Å; P41-L113 HydrophobicContact CG-CD2 4.31Å; Y46-L113 HydrophobicContact CD1-CD2 4.24Å; Y46-L113 HydrophobicContact CD1-CG 4.42Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 3.96Å; Y46-L113 HydrophobicContact CD2-CG 3.75Å; Y46-L113 HydrophobicContact CE2-CB 4Å; Y46-L113 HydrophobicContact CE2-CG 3.99Å; Y46-L113 WeakPolarHBondContact CE2-O 3.5Å; Y46-L113 HydrophobicContact CG-CB 4.36Å; Y46-L113 HydrophobicContact CG-CD2 3.75Å; Y46-L113 HydrophobicContact CG-CG 3.99Å; F70-L113 HydrophobicContact CZ-CD1 4.34Å; I74-L113 HydrophobicContact CD1-CD1 4.37Å; I74-L113 HydrophobicContact CD1-CD2 4.24Å; I74-L113 HydrophobicContact CD1-CG 4.4Å; L109-L113 WeakPolarHBondContact O-CD1 3.13Å; L109-L113 PolarHBondContact O-N 3.29Å; Q111-L113 PolarHBondContact O-N 2.99Å
114	A	96.5	Very high	94.4	Very high	34 Å²	34	49.3 Å²	49.3	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-75.6	-38.6	176.5	0	0	0	0	0	112.2	T44 P110 Q111 L112	T44-A114 HydrophobicContact CG2-CB 4.01Å; P110-A114 WeakPolarHBondContact O-CB 3.49Å; P110-A114 PolarHBondContact O-N 2.9Å; P110-A114 VanDerWaalsContact O-N 3.09Å; Q111-A114 PolarHBondContact O-N 2.92Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 2.84Å
115	Y	95	Very high	94.4	Very high	165 Å²	165	54.1 Å²	54.1	65%	0.647	30%	0.3	S	S	*	.	S	Bend	trans	-133.6	80.1	-172.9	-54.7	-71.8	0	0	0	111	Q111 L112	Q111-Y115 PolarHBondContact O-N 2.98Å; L112-Y115 CarbonylContact O-C 3.59Å; L112-Y115 VanDerWaalsContact O-C 3.31Å; L112-Y115 PolarHBondContact O-N 2.96Å
116	P	93	Very high	94.4	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.058	30%	0.298	C	S	.	.			trans	-58.5	146.2	176.2	-21.8	31.3	0	0	0	111.6	P77 P118 Y130	P77-P116 HydrophobicContact CB-CB 4.07Å; P77-P116 HydrophobicContact CG-CB 3.62Å; P77-P116 HydrophobicContact CG-CG 4.17Å; P116-P118 VanDerWaalsContact O-CD 3.24Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P116-Y130 HydrophobicContact CB-CE1 4.46Å; P116-Y130 HydrophobicContact CG-CD2 4.17Å; P116-Y130 HydrophobicContact CG-CE2 3.94Å
117	N	88	Confident	94.4	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	28%	0.281	C	S	.	.			trans	-87	110.5	168.2	-176.9	1.7	0	0	0	109.5	N78 T119	N78-N117 PolarHBondContact ND2-O 2.92Å; N78-N117 PolarHBondContact OD1-N 3.41Å; N78-N117 PolarHBondContact OD1-O 2.84Å; N117-T119 VanDerWaalsContact C-N 3.27Å; N117-T119 VanDerWaalsContact CG-OG1 3.31Å; N117-T119 PolarHBondContact ND2-OG1 3.23Å; N117-T119 VanDerWaalsContact ND2-OG1 3.11Å; N117-T119 PolarHBondContact O-N 3.41Å; N117-T119 PolarHBondContact OD1-N 2.87Å; N117-T119 PolarHBondContact OD1-OG1 3.14Å
118	P	82.5	Confident	94.4	Very high	45 Å²	45	49.3 Å²	49.3	29%	0.292	28%	0.28	S	S	.	.			trans	-78.4	-6.9	-179.8	33.2	-36.2	0	0	0	113.8	P116 Y130 L131	P116-P118 VanDerWaalsContact O-CD 3.24Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-Y130 HydrophobicContact CB-CD1 4.42Å; P118-L131 HydrophobicContact CB-CD1 4.04Å; P118-L131 HydrophobicContact CB-CD2 3.75Å; P118-L131 HydrophobicContact CB-CG 4Å; P118-L131 HydrophobicContact CG-CD2 4.05Å
119	T	82.9	Confident	94.3	Very high	95 Å²	95	49.6 Å²	49.6	58%	0.583	28%	0.283	S	S	*	.	S	Bend	trans	-79.7	120.6	177.2	67	0	0	0	0	110.1	N117	N117-T119 VanDerWaalsContact C-N 3.27Å; N117-T119 VanDerWaalsContact CG-OG1 3.31Å; N117-T119 PolarHBondContact ND2-OG1 3.23Å; N117-T119 VanDerWaalsContact ND2-OG1 3.11Å; N117-T119 PolarHBondContact O-N 3.41Å; N117-T119 PolarHBondContact OD1-N 2.87Å; N117-T119 PolarHBondContact OD1-OG1 3.14Å
120	D	87.4	Confident	94.2	Very high	144 Å²	144	53.1 Å²	53.1	77%	0.77	30%	0.297	S	S	*	.	S	Bend	trans	54.4	67.7	-179.6	-157.3	22.1	0	0	0	114.4
121	P	93.1	Very high	94.1	Very high	40 Å²	40	56.3 Å²	56.3	26%	0.26	31%	0.312	S	S	.	.			trans	-76.4	145.4	-175.2	33.4	-36.9	0	0	0	112.4	P77 N123 A127	P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.51Å; P77-P121 WeakPolarHBondContact O-CA 3.28Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P121-N123 VanDerWaalsContact C-N 3.34Å; P121-A127 HydrophobicContact CB-CB 3.52Å; P121-A127 HydrophobicContact CG-CB 3.49Å; P121-A127 VanDerWaalsContact CG-CB 3.49Å
122	L	96.5	Very high	94.1	Very high	76 Å²	76	58.2 Å²	58.2	40%	0.398	32%	0.32	S	S	.	.	S	Bend	trans	-72.2	-31.9	166.3	-66.2	-175.9	0	0	0	111.6	P77 D80 C87	P77-L122 PolarHBondContact O-N 3.3Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.27Å; C87-L122 HydrophobicContact CB-CD1 3.75Å; C87-L122 HydrophobicContact CB-CG 4.02Å
123	N	96.8	Very high	94.1	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.053	34%	0.338	C	S	.	.			trans	-113.3	93.8	175.6	-171.9	-28.9	0	0	0	110	H76 P77 E81 P121 D125 A126 A127	H76-N123 WeakPolarHBondContact O-CB 3.15Å; P77-N123 PolarHBondContact O-N 3.46Å; E81-N123 PolarHBondContact OE2-ND2 3.32Å; E81-N123 VanDerWaalsContact OE2-ND2 3.15Å; P121-N123 VanDerWaalsContact C-N 3.34Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 2.89Å; N123-D125 WeakPolarHBondContact OD1-CB 3.5Å; N123-D125 PolarHBondContact OD1-N 3.21Å; N123-A126 HydrophobicContact CB-CB 3.89Å; N123-A126 PolarHBondContact O-N 3.46Å; N123-A126 PolarHBondContact OD1-N 3.04Å; N123-A127 PolarHBondContact O-N 2.61Å
124	G	96.5	Very high	94	Very high	45 Å²	45	65.4 Å²	65.4	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-37	180	0	0	0	0	0	113.6	A127 A128	G124-A127 PolarHBondContact O-N 3.42Å; G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.16Å
125	D	96.3	Very high	94	Very high	105 Å²	105	69.9 Å²	69.9	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-64.7	-43.9	177	-75.2	-3.1	0	0	0	111.5	F75 N123 A128 L129	F75-D125 HydrophobicContact CE2-CB 4.38Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 2.89Å; N123-D125 WeakPolarHBondContact OD1-CB 3.5Å; N123-D125 PolarHBondContact OD1-N 3.21Å; D125-A128 PolarHBondContact O-N 3.34Å; D125-L129 WeakPolarHBondContact O-CG 3.43Å; D125-L129 PolarHBondContact O-N 3.4Å
126	A	97.4	Very high	94.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-42.7	177.3	0	0	0	0	0	111.3	F75 P77 N123 Y130 F137	F75-A126 HydrophobicContact CD1-CB 4.11Å; F75-A126 HydrophobicContact CD2-CB 4.28Å; F75-A126 HydrophobicContact CE1-CB 3.62Å; F75-A126 HydrophobicContact CE2-CB 3.79Å; F75-A126 HydrophobicContact CG-CB 4.42Å; F75-A126 HydrophobicContact CZ-CB 3.45Å; F75-A126 VanDerWaalsContact CZ-CB 3.45Å; P77-A126 HydrophobicContact CG-CB 4.08Å; N123-A126 HydrophobicContact CB-CB 3.89Å; N123-A126 PolarHBondContact O-N 3.46Å; N123-A126 PolarHBondContact OD1-N 3.04Å; A126-Y130 VanDerWaalsContact O-CB 3.22Å; A126-Y130 WeakPolarHBondContact O-CB 3.39Å; A126-Y130 PolarHBondContact O-N 3.36Å; A126-F137 HydrophobicContact CB-CE2 4.35Å
127	A	97.1	Very high	94.4	Very high	6 Å²	6	66.5 Å²	66.5	5%	0.05	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-44.5	177	0	0	0	0	0	112.5	P77 P121 N123 G124 L129 Y130 L131	P77-A127 HydrophobicContact CB-CB 4.15Å; P121-A127 HydrophobicContact CB-CB 3.52Å; P121-A127 HydrophobicContact CG-CB 3.49Å; P121-A127 VanDerWaalsContact CG-CB 3.49Å; N123-A127 PolarHBondContact O-N 2.61Å; G124-A127 PolarHBondContact O-N 3.42Å; A127-L129 PolarHBondContact O-N 3.17Å; A127-Y130 PolarHBondContact O-N 3.23Å; A127-L131 WeakPolarHBondContact O-CB 3.34Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.3Å
128	A	96.5	Very high	94.8	Very high	48 Å²	48	68.6 Å²	68.6	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-44	178.3	0	0	0	0	0	111.7	G124 D125 H132	G124-A128 WeakPolarHBondContact O-CB 3.43Å; G124-A128 PolarHBondContact O-N 3.16Å; D125-A128 PolarHBondContact O-N 3.34Å; A128-H132 WeakPolarHBondContact O-CB 3.34Å; A128-H132 PolarHBondContact O-CD2 2.89Å; A128-H132 PolarHBondContact O-N 3.16Å
129	L	97	Very high	95.6	Very high	29 Å²	29	73.1 Å²	73.1	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-65	-42.9	174.3	-70.2	179.3	0	0	0	111.6	F75 D125 A127 L131 K133 E136 F137 K140	F75-L129 HydrophobicContact CE1-CD1 4Å; F75-L129 HydrophobicContact CZ-CD1 3.98Å; D125-L129 WeakPolarHBondContact O-CG 3.43Å; D125-L129 PolarHBondContact O-N 3.4Å; A127-L129 PolarHBondContact O-N 3.17Å; L129-L131 PolarHBondContact O-N 2.92Å; L129-K133 HydrophobicContact CD2-CB 4.16Å; L129-K133 HydrophobicContact CD2-CD 4.13Å; L129-K133 CarbonylContact O-C 3.51Å; L129-K133 VanDerWaalsContact O-CA 3.27Å; L129-K133 WeakPolarHBondContact O-CA 3.29Å; L129-K133 PolarHBondContact O-N 2.76Å; L129-E136 HydrophobicContact CD2-CB 4Å; L129-F137 HydrophobicContact CB-CB 3.9Å; L129-F137 HydrophobicContact CB-CD2 4.22Å; L129-K140 HydrophobicContact CD1-CB 4.49Å; L129-K140 HydrophobicContact CD1-CD 3.67Å
130	Y	96.4	Very high	96.3	Very high	73 Å²	73	71.4 Å²	71.4	29%	0.286	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-44.4	178.7	177.6	-106.2	0	0	0	112.2	P116 P118 A126 A127 F137	P116-Y130 HydrophobicContact CB-CE1 4.46Å; P116-Y130 HydrophobicContact CG-CD2 4.17Å; P116-Y130 HydrophobicContact CG-CE2 3.94Å; P118-Y130 HydrophobicContact CB-CD1 4.42Å; A126-Y130 VanDerWaalsContact O-CB 3.22Å; A126-Y130 WeakPolarHBondContact O-CB 3.39Å; A126-Y130 PolarHBondContact O-N 3.36Å; A127-Y130 PolarHBondContact O-N 3.23Å; Y130-F137 HydrophobicContact CD2-CD1 4.02Å; Y130-F137 AromaticContact CD2-CE1 3.84Å; Y130-F137 HydrophobicContact CD2-CE1 3.84Å; Y130-F137 HydrophobicContact CD2-CG 4.47Å; Y130-F137 HydrophobicContact CD2-CZ 4.15Å
131	L	95.4	Very high	96.8	Very high	95 Å²	95	64.6 Å²	64.6	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-76.9	-42.9	-177.7	-71.3	174.2	0	0	0	113.7	P118 A127 L129	P118-L131 HydrophobicContact CB-CD1 4.04Å; P118-L131 HydrophobicContact CB-CD2 3.75Å; P118-L131 HydrophobicContact CB-CG 4Å; P118-L131 HydrophobicContact CG-CD2 4.05Å; A127-L131 WeakPolarHBondContact O-CB 3.34Å; A127-L131 WeakPolarHBondContact O-CG 3.45Å; A127-L131 PolarHBondContact O-N 3.3Å; L129-L131 PolarHBondContact O-N 2.92Å
132	H	96.5	Very high	97	Very high	148 Å²	148	69 Å²	69	69%	0.685	35%	0.348	S	S	*	.	H	α-helix	trans	-105.7	-21.3	-168.3	-58.5	-56.4	0	0	0	113.6	A128	A128-H132 WeakPolarHBondContact O-CB 3.34Å; A128-H132 PolarHBondContact O-CD2 2.89Å; A128-H132 PolarHBondContact O-N 3.16Å
133	K	97	Very high	97.1	Very high	100 Å²	100	69.3 Å²	69.3	44%	0.435	35%	0.35	S	S	.	.			trans	-146.2	63.7	-171.1	-56.2	-166.1	-178.1	-173	0	112.4	L129 E135 E136 F137	L129-K133 HydrophobicContact CD2-CB 4.16Å; L129-K133 HydrophobicContact CD2-CD 4.13Å; L129-K133 CarbonylContact O-C 3.51Å; L129-K133 VanDerWaalsContact O-CA 3.27Å; L129-K133 WeakPolarHBondContact O-CA 3.29Å; L129-K133 PolarHBondContact O-N 2.76Å; K133-E135 PolarHBondContact O-N 3.25Å; K133-E135 VanDerWaalsContact O-N 3.09Å; K133-E136 HydrophobicContact CB-CB 4.01Å; K133-E136 HydrophobicContact CB-CG 4.3Å; K133-E136 HydrophobicContact CD-CG 4.23Å; K133-E136 VanDerWaalsContact CD-OE1 3.3Å; K133-E136 WeakPolarHBondContact CD-OE1 3.42Å; K133-E136 WeakPolarHBondContact CD-OE2 3.47Å; K133-E136 VanDerWaalsContact NZ-CD 3.35Å; K133-E136 IonicContact NZ-OE1 2.94Å; K133-E136 PolarHBondContact NZ-OE1 2.78Å; K133-E136 IonicContact NZ-OE2 2.97Å; K133-E136 PolarHBondContact NZ-OE2 3.48Å; K133-E136 PolarHBondContact O-N 3.06Å; K133-F137 PolarHBondContact O-N 2.78Å
134	P	95.7	Very high	97.1	Very high	65 Å²	65	70.2 Å²	70.2	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-30.8	-171.3	22.1	-34.4	0	0	0	114	F137 K138	P134-F137 WeakPolarHBondContact O-CB 3.44Å; P134-K138 VanDerWaalsContact O-CG 3.23Å; P134-K138 WeakPolarHBondContact O-CG 3.49Å; P134-K138 PolarHBondContact O-N 2.8Å
135	E	97.3	Very high	97.2	Very high	127 Å²	127	68.8 Å²	68.8	59%	0.593	34%	0.336	S	S	*	.	H	α-helix	trans	-73.1	-37.7	176.5	-61.6	-52.2	127.7	0	0	112.8	K133 F137 K138 K139	K133-E135 PolarHBondContact O-N 3.25Å; K133-E135 VanDerWaalsContact O-N 3.09Å; E135-F137 VanDerWaalsContact C-N 3.35Å; E135-K138 PolarHBondContact O-N 2.64Å; E135-K138 IonicContact OE1-NZ 2.76Å; E135-K138 PolarHBondContact OE1-NZ 3.14Å; E135-K138 IonicContact OE2-NZ 3.87Å; E135-K139 WeakPolarHBondContact O-CB 3.17Å; E135-K139 PolarHBondContact O-N 2.8Å
136	E	97.8	Very high	97.2	Very high	96 Å²	96	67.6 Å²	67.6	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-67.3	-38.4	172.2	-70.3	-176.2	-156.8	0	0	110.8	L129 K133 K139 K140	L129-E136 HydrophobicContact CD2-CB 4Å; K133-E136 HydrophobicContact CB-CB 4.01Å; K133-E136 HydrophobicContact CB-CG 4.3Å; K133-E136 HydrophobicContact CD-CG 4.23Å; K133-E136 VanDerWaalsContact CD-OE1 3.3Å; K133-E136 WeakPolarHBondContact CD-OE1 3.42Å; K133-E136 WeakPolarHBondContact CD-OE2 3.47Å; K133-E136 VanDerWaalsContact NZ-CD 3.35Å; K133-E136 IonicContact NZ-OE1 2.94Å; K133-E136 PolarHBondContact NZ-OE1 2.78Å; K133-E136 IonicContact NZ-OE2 2.97Å; K133-E136 PolarHBondContact NZ-OE2 3.48Å; K133-E136 PolarHBondContact O-N 3.06Å; E136-K139 PolarHBondContact O-N 3.03Å; E136-K140 WeakPolarHBondContact O-CB 3.49Å; E136-K140 PolarHBondContact O-N 3.04Å
137	F	97.9	Very high	97.1	Very high	8 Å²	8	73.9 Å²	73.9	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-57	-54.2	172.5	176.7	-102.6	0	0	0	111.2	P45 Y46 F75 P77 A126 L129 Y130 K133 P134 E135 K139 K140 C141	P45-F137 HydrophobicContact CG-CE1 4.42Å; Y46-F137 WeakPolarHBondContact OH-CZ 3.47Å; F75-F137 HydrophobicContact CD1-CD2 4.36Å; F75-F137 HydrophobicContact CD1-CE2 4.23Å; F75-F137 AromaticContact CE1-CD2 3.99Å; F75-F137 HydrophobicContact CE1-CD2 3.99Å; F75-F137 HydrophobicContact CE1-CE2 4.17Å; P77-F137 HydrophobicContact CG-CE2 4.41Å; A126-F137 HydrophobicContact CB-CE2 4.35Å; L129-F137 HydrophobicContact CB-CB 3.9Å; L129-F137 HydrophobicContact CB-CD2 4.22Å; Y130-F137 HydrophobicContact CD2-CD1 4.02Å; Y130-F137 AromaticContact CD2-CE1 3.84Å; Y130-F137 HydrophobicContact CD2-CE1 3.84Å; Y130-F137 HydrophobicContact CD2-CG 4.47Å; Y130-F137 HydrophobicContact CD2-CZ 4.15Å; K133-F137 PolarHBondContact O-N 2.78Å; P134-F137 WeakPolarHBondContact O-CB 3.44Å; E135-F137 VanDerWaalsContact C-N 3.35Å; F137-K139 VanDerWaalsContact C-N 3.29Å; F137-K139 PolarHBondContact O-N 3.26Å; F137-K140 PolarHBondContact O-N 3.45Å; F137-C141 VanDerWaalsContact CZ-SG 3.57Å; F137-C141 PolarHBondContact O-N 3.13Å; F137-C141 PolarHBondContact O-SG 2.7Å
138	K	97.5	Very high	97.1	Very high	86 Å²	86	75.3 Å²	75.3	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-55.2	-44.3	178	-73.3	170.5	-175.1	170	0	112	P45 P134 E135 K142	P45-K138 HydrophobicContact CB-CG 4.48Å; P45-K138 HydrophobicContact CG-CB 4.49Å; P45-K138 HydrophobicContact CG-CG 3.9Å; P134-K138 VanDerWaalsContact O-CG 3.23Å; P134-K138 WeakPolarHBondContact O-CG 3.49Å; P134-K138 PolarHBondContact O-N 2.8Å; E135-K138 PolarHBondContact O-N 2.64Å; E135-K138 IonicContact OE1-NZ 2.76Å; E135-K138 PolarHBondContact OE1-NZ 3.14Å; E135-K138 IonicContact OE2-NZ 3.87Å; K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 2.74Å; K138-K142 VanDerWaalsContact O-N 3.07Å
139	K	98	Very high	97.2	Very high	139 Å²	139	73 Å²	73	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-62.8	-48.8	178.2	-174.5	-179.7	176.6	-175.9	0	111.3	E135 E136 F137 C141 K142 D143	E135-K139 WeakPolarHBondContact O-CB 3.17Å; E135-K139 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.03Å; F137-K139 VanDerWaalsContact C-N 3.29Å; F137-K139 PolarHBondContact O-N 3.26Å; K139-C141 VanDerWaalsContact C-N 3.34Å; K139-C141 PolarHBondContact O-N 3.45Å; K139-K142 PolarHBondContact O-N 3.3Å; K139-K142 VanDerWaalsContact O-N 3.16Å; K139-D143 VanDerWaalsContact O-CG 3.29Å; K139-D143 PolarHBondContact O-N 2.86Å
140	K	97.9	Very high	97.1	Very high	59 Å²	59	73.9 Å²	73.9	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-39.4	179.7	-169.5	168.3	175.7	-171.9	0	111.9	F75 L129 E136 F137 D143 F144	F75-K140 HydrophobicContact CD1-CB 4.26Å; F75-K140 HydrophobicContact CD1-CD 4.08Å; F75-K140 HydrophobicContact CD1-CG 3.92Å; F75-K140 HydrophobicContact CD2-CD 4.34Å; F75-K140 HydrophobicContact CE1-CB 4.21Å; F75-K140 HydrophobicContact CE1-CD 3.59Å; F75-K140 HydrophobicContact CE1-CG 3.92Å; F75-K140 HydrophobicContact CE2-CD 3.91Å; F75-K140 HydrophobicContact CG-CD 4.43Å; F75-K140 HydrophobicContact CG-CG 4.25Å; F75-K140 HydrophobicContact CZ-CD 3.49Å; F75-K140 VanDerWaalsContact CZ-CD 3.49Å; F75-K140 VanDerWaalsContact CZ-CE 3.47Å; F75-K140 HydrophobicContact CZ-CG 4.26Å; L129-K140 HydrophobicContact CD1-CB 4.49Å; L129-K140 HydrophobicContact CD1-CD 3.67Å; E136-K140 WeakPolarHBondContact O-CB 3.49Å; E136-K140 PolarHBondContact O-N 3.04Å; F137-K140 PolarHBondContact O-N 3.45Å; K140-D143 PolarHBondContact O-N 2.99Å; K140-F144 HydrophobicContact CG-CD2 4.22Å; K140-F144 HydrophobicContact CG-CE2 4.13Å; K140-F144 VanDerWaalsContact O-CD2 3.32Å; K140-F144 WeakPolarHBondContact O-CD2 3.39Å; K140-F144 PolarHBondContact O-N 3.49Å
141	C	98	Very high	97	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-47.9	172.4	-66.7	0	0	0	0	111.8	P45 Y46 F137 K139 D143 F144 V145	P45-C141 HydrophobicContact CB-CB 3.56Å; Y46-C141 HydrophobicContact CE1-CB 4.33Å; F137-C141 VanDerWaalsContact CZ-SG 3.57Å; F137-C141 PolarHBondContact O-N 3.13Å; F137-C141 PolarHBondContact O-SG 2.7Å; K139-C141 VanDerWaalsContact C-N 3.34Å; K139-C141 PolarHBondContact O-N 3.45Å; C141-D143 VanDerWaalsContact C-N 3.35Å; C141-D143 PolarHBondContact O-N 3.1Å; C141-F144 WeakPolarHBondContact O-CB 3.48Å; C141-F144 PolarHBondContact O-N 3.28Å; C141-V145 WeakPolarHBondContact O-CG2 3.39Å; C141-V145 PolarHBondContact O-N 2.94Å
142	K	97.6	Very high	96.8	Very high	133 Å²	133	77.2 Å²	77.2	58%	0.578	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-40.2	177.7	-73.1	-179.9	178.2	-174	0	112.7	K138 K139 F144 V145 S146	K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 2.74Å; K138-K142 VanDerWaalsContact O-N 3.07Å; K139-K142 PolarHBondContact O-N 3.3Å; K139-K142 VanDerWaalsContact O-N 3.16Å; K142-F144 VanDerWaalsContact C-N 3.34Å; K142-F144 PolarHBondContact O-N 2.77Å; K142-V145 PolarHBondContact O-N 3.12Å; K142-S146 PolarHBondContact O-N 3.42Å; K142-S146 PolarHBondContact O-OG 2.68Å
143	D	97.9	Very high	96.5	Very high	83 Å²	83	70.5 Å²	70.5	44%	0.444	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-44.9	175.2	-67.6	-16.3	0	0	0	110.4	K139 K140 C141 S146 K147	K139-D143 VanDerWaalsContact O-CG 3.29Å; K139-D143 PolarHBondContact O-N 2.86Å; K140-D143 PolarHBondContact O-N 2.99Å; C141-D143 VanDerWaalsContact C-N 3.35Å; C141-D143 PolarHBondContact O-N 3.1Å; D143-S146 PolarHBondContact O-N 3.11Å; D143-S146 PolarHBondContact O-OG 2.66Å; D143-K147 WeakPolarHBondContact O-CB 3.24Å; D143-K147 PolarHBondContact O-N 3.14Å; D143-K147 VanDerWaalsContact O-N 3.12Å
144	F	97.7	Very high	96.2	Very high	28 Å²	28	65.8 Å²	65.8	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-44	174.3	-92	-119.5	0	0	0	112.4	K73 F75 E81 K140 C141 K142 S146 K147 Y148	K73-F144 HydrophobicContact CB-CD1 4.38Å; K73-F144 HydrophobicContact CB-CE1 4.48Å; F75-F144 HydrophobicContact CB-CB 4.28Å; F75-F144 HydrophobicContact CB-CD1 3.72Å; F75-F144 HydrophobicContact CB-CD2 4.12Å; F75-F144 HydrophobicContact CB-CE1 3.97Å; F75-F144 HydrophobicContact CB-CE2 4.37Å; F75-F144 HydrophobicContact CB-CG 3.78Å; F75-F144 HydrophobicContact CB-CZ 4.28Å; F75-F144 HydrophobicContact CD2-CE1 4.37Å; F75-F144 HydrophobicContact CD2-CE2 4.38Å; F75-F144 HydrophobicContact CD2-CZ 4.09Å; E81-F144 HydrophobicContact CG-CE1 4.24Å; E81-F144 WeakPolarHBondContact OE1-CZ 3.36Å; K140-F144 HydrophobicContact CG-CD2 4.22Å; K140-F144 HydrophobicContact CG-CE2 4.13Å; K140-F144 VanDerWaalsContact O-CD2 3.32Å; K140-F144 WeakPolarHBondContact O-CD2 3.39Å; K140-F144 PolarHBondContact O-N 3.49Å; C141-F144 WeakPolarHBondContact O-CB 3.48Å; C141-F144 PolarHBondContact O-N 3.28Å; K142-F144 VanDerWaalsContact C-N 3.34Å; K142-F144 PolarHBondContact O-N 2.77Å; F144-S146 PolarHBondContact O-N 2.8Å; F144-K147 PolarHBondContact O-N 3.29Å; F144-Y148 HydrophobicContact CB-CD2 4.38Å; F144-Y148 AromaticContact CD1-CD2 3.9Å; F144-Y148 HydrophobicContact CD1-CD2 3.9Å; F144-Y148 HydrophobicContact CD1-CE2 4.13Å; F144-Y148 HydrophobicContact CE1-CD2 4.45Å; F144-Y148 HydrophobicContact CE1-CE2 4.29Å; F144-Y148 HydrophobicContact CG-CD2 4.14Å; F144-Y148 HydrophobicContact CG-CE2 4.35Å; F144-Y148 PolarHBondContact O-N 3.03Å
145	V	97.8	Very high	95.9	Very high	16 Å²	16	71.2 Å²	71.2	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-50.6	176.8	166.1	0	0	0	0	110.5	W51 C141 K142 K147 A149	W51-V145 HydrophobicContact CH2-CG2 3.75Å; W51-V145 HydrophobicContact CZ2-CG2 3.89Å; C141-V145 WeakPolarHBondContact O-CG2 3.39Å; C141-V145 PolarHBondContact O-N 2.94Å; K142-V145 PolarHBondContact O-N 3.12Å; V145-K147 VanDerWaalsContact C-N 3.26Å; V145-K147 PolarHBondContact O-N 3.36Å; V145-A149 CarbonylContact O-C 3.31Å; V145-A149 WeakPolarHBondContact O-CA 3.33Å; V145-A149 PolarHBondContact O-N 3.14Å
146	S	96.8	Very high	95.3	Very high	80 Å²	80	72.2 Å²	72.2	56%	0.559	33%	0.334	S	S	*	.	H	α-helix	trans	-63.4	-29.6	-179.3	71.2	0	0	0	0	113.8	K142 D143 F144 T150	K142-S146 PolarHBondContact O-N 3.42Å; K142-S146 PolarHBondContact O-OG 2.68Å; D143-S146 PolarHBondContact O-N 3.11Å; D143-S146 PolarHBondContact O-OG 2.66Å; F144-S146 PolarHBondContact O-N 2.8Å; S146-T150 WeakPolarHBondContact O-CG2 3.36Å
147	K	96.4	Very high	94.4	Very high	131 Å²	131	72.5 Å²	72.5	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-93.7	-34.5	-173.6	-172.5	174	178	-169.2	0	113.8	D143 F144 V145	D143-K147 WeakPolarHBondContact O-CB 3.24Å; D143-K147 PolarHBondContact O-N 3.14Å; D143-K147 VanDerWaalsContact O-N 3.12Å; F144-K147 PolarHBondContact O-N 3.29Å; V145-K147 VanDerWaalsContact C-N 3.26Å; V145-K147 PolarHBondContact O-N 3.36Å
148	Y	97.1	Very high	93.7	Very high	36 Å²	36	72.2 Å²	72.2	14%	0.141	33%	0.331	C	S	.	.	H	α-helix	trans	-126.4	-15.3	-168	-56.3	-66.6	0	0	0	114	N72 K73 F144 A153 Y157	N72-Y148 PolarHBondContact ND2-O 2.93Å; K73-Y148 HydrophobicContact CB-CD1 4.31Å; K73-Y148 HydrophobicContact CB-CD2 3.91Å; K73-Y148 HydrophobicContact CB-CE2 4.48Å; K73-Y148 HydrophobicContact CB-CG 3.81Å; K73-Y148 HydrophobicContact CD-CD1 4.2Å; K73-Y148 HydrophobicContact CD-CD2 4.35Å; K73-Y148 HydrophobicContact CD-CE1 3.97Å; K73-Y148 HydrophobicContact CD-CE2 4.14Å; K73-Y148 HydrophobicContact CD-CG 4.38Å; F144-Y148 HydrophobicContact CB-CD2 4.38Å; F144-Y148 AromaticContact CD1-CD2 3.9Å; F144-Y148 HydrophobicContact CD1-CD2 3.9Å; F144-Y148 HydrophobicContact CD1-CE2 4.13Å; F144-Y148 HydrophobicContact CE1-CD2 4.45Å; F144-Y148 HydrophobicContact CE1-CE2 4.29Å; F144-Y148 HydrophobicContact CG-CD2 4.14Å; F144-Y148 HydrophobicContact CG-CE2 4.35Å; F144-Y148 PolarHBondContact O-N 3.03Å; Y148-A153 WeakPolarHBondContact O-CB 3.46Å; Y148-Y157 HydrophobicContact CD1-CE2 4.09Å
149	A	97	Very high	92.7	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-122.1	40.4	-173.4	0	0	0	0	0	112.5	G49 V50 W51 V145	G49-A149 CarbonylContact C-O 2.89Å; G49-A149 WeakPolarHBondContact CA-O 3.48Å; V50-A149 PolarHBondContact N-O 2.66Å; V50-A149 CarbonylContact O-C 3.56Å; V50-A149 VanDerWaalsContact O-CA 3.27Å; V50-A149 WeakPolarHBondContact O-CA 3.34Å; V50-A149 WeakPolarHBondContact O-CB 3.31Å; W51-A149 HydrophobicContact CD2-CB 3.97Å; W51-A149 VanDerWaalsContact CE2-CB 3.41Å; W51-A149 HydrophobicContact CG-CB 4.45Å; W51-A149 HydrophobicContact CH2-CB 4.17Å; W51-A149 HydrophobicContact CZ2-CB 3.54Å; V145-A149 CarbonylContact O-C 3.31Å; V145-A149 WeakPolarHBondContact O-CA 3.33Å; V145-A149 PolarHBondContact O-N 3.14Å
150	T	95.8	Very high	91.5	Very high	47 Å²	47	73.4 Å²	73.4	29%	0.288	35%	0.347	S	S	.	.	S	Bend	trans	-103	160.9	170.2	65.8	0	0	0	0	110.2	S146 E152 A153 L154	S146-T150 WeakPolarHBondContact O-CG2 3.36Å; T150-E152 PolarHBondContact O-N 2.75Å; T150-A153 WeakPolarHBondContact O-CA 3.32Å; T150-A153 WeakPolarHBondContact O-CB 3.49Å; T150-A153 PolarHBondContact O-N 3.01Å; T150-A153 WeakPolarHBondContact OG1-CB 3.46Å; T150-A153 PolarHBondContact OG1-N 3.4Å; T150-A153 VanDerWaalsContact OG1-N 3.09Å; T150-L154 PolarHBondContact O-N 3Å
151	E	93.2	Very high	90.2	Very high	81 Å²	81	70.8 Å²	70.8	38%	0.379	34%	0.336	S	S	.	.	H	α-helix	trans	-55.9	-35	173.8	-66.7	-72.1	-179.3	0	0	112	K37 R155	K37-E151 WeakPolarHBondContact CE-OE1 3.39Å; K37-E151 WeakPolarHBondContact CE-OE2 3.49Å; K37-E151 IonicContact NZ-OE1 2.75Å; K37-E151 PolarHBondContact NZ-OE1 2.55Å; K37-E151 IonicContact NZ-OE2 3.67Å; K37-E151 PolarHBondContact NZ-OE2 3.18Å; E151-R155 PolarHBondContact O-N 3.24Å
152	E	91.8	Very high	88.4	Confident	158 Å²	158	74.1 Å²	74.1	74%	0.738	35%	0.354	S	S	*	.	H	α-helix	trans	-68	-40	174	-63.5	179.5	178.3	0	0	112.3	T150 R155 K156	T150-E152 PolarHBondContact O-N 2.75Å; E152-R155 PolarHBondContact O-N 2.9Å; E152-K156 PolarHBondContact O-N 3.05Å
153	A	90.4	Very high	86.3	Confident	6 Å²	6	71.1 Å²	71.1	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-36.9	177.4	0	0	0	0	0	111.7	Y148 T150 R155 K156 Y157	Y148-A153 WeakPolarHBondContact O-CB 3.46Å; T150-A153 WeakPolarHBondContact O-CA 3.32Å; T150-A153 WeakPolarHBondContact O-CB 3.49Å; T150-A153 PolarHBondContact O-N 3.01Å; T150-A153 WeakPolarHBondContact OG1-CB 3.46Å; T150-A153 PolarHBondContact OG1-N 3.4Å; T150-A153 VanDerWaalsContact OG1-N 3.09Å; A153-R155 PolarHBondContact O-N 3.37Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.25Å; A153-K156 VanDerWaalsContact O-N 3.14Å; A153-Y157 HydrophobicContact CB-CD2 4.07Å; A153-Y157 HydrophobicContact CB-CE2 4.21Å; A153-Y157 WeakPolarHBondContact O-CD2 3.14Å; A153-Y157 PolarHBondContact O-N 3.1Å
154	L	90.6	Very high	83.9	Confident	1 Å²	1	72 Å²	72	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-58.2	-47.1	175.4	-70.8	-176.6	0	0	0	111.9	K37 V50 R52 N72 T150 K156 Y157 C158	K37-L154 HydrophobicContact CG-CD1 4.46Å; V50-L154 HydrophobicContact CB-CD1 3.97Å; V50-L154 HydrophobicContact CG1-CD1 3.55Å; R52-L154 HydrophobicContact CB-CD2 4.32Å; N72-L154 HydrophobicContact CB-CD2 4.48Å; T150-L154 PolarHBondContact O-N 3Å; L154-K156 PolarHBondContact O-N 2.94Å; L154-Y157 PolarHBondContact O-N 2.91Å; L154-C158 WeakPolarHBondContact O-CA 3.35Å; L154-C158 WeakPolarHBondContact O-CB 3.48Å; L154-C158 PolarHBondContact O-N 3.12Å
155	R	88.8	Confident	81.1	Confident	179 Å²	179	74 Å²	74	68%	0.675	41%	0.407	S	S	*	.	H	α-helix	trans	-59	-34.2	176.7	-66.1	174	-176.6	-170.9	-0.7	112.9	E151 E152 A153 D162	E151-R155 PolarHBondContact O-N 3.24Å; E152-R155 PolarHBondContact O-N 2.9Å; A153-R155 PolarHBondContact O-N 3.37Å; R155-D162 WeakPolarHBondContact CA-OD2 3.4Å; R155-D162 WeakPolarHBondContact CG-OD2 3.38Å; R155-D162 PolarHBondContact N-OD2 2.9Å
156	K	84.9	Confident	78.3	Confident	149 Å²	149	78.6 Å²	78.6	65%	0.648	44%	0.44	S	S	*	.	H	α-helix	trans	-77	-42.4	-179.8	-176.8	179	178.5	-178.9	0	112.8	E152 A153 L154	E152-K156 PolarHBondContact O-N 3.05Å; A153-K156 WeakPolarHBondContact O-CB 3.32Å; A153-K156 PolarHBondContact O-N 3.25Å; A153-K156 VanDerWaalsContact O-N 3.14Å; L154-K156 PolarHBondContact O-N 2.94Å
157	Y	79.9	Confident	75.4	Confident	101 Å²	101	80.5 Å²	80.5	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-99.8	-17.5	-170	-65.7	-65.4	0	0	0	113.8	Y148 A153 L154	Y148-Y157 HydrophobicContact CD1-CE2 4.09Å; A153-Y157 HydrophobicContact CB-CD2 4.07Å; A153-Y157 HydrophobicContact CB-CE2 4.21Å; A153-Y157 WeakPolarHBondContact O-CD2 3.14Å; A153-Y157 PolarHBondContact O-N 3.1Å; L154-Y157 PolarHBondContact O-N 2.91Å
158	C	82	Confident	72.8	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.02	46%	0.462	C	S	.	.			trans	-134.2	51.9	-176.3	-52.6	0	0	0	0	112.5	R52 M71 L154 E160 T161	R52-C158 HydrophobicContact CB-CB 4.23Å; R52-C158 HydrophobicContact CG-CB 4.4Å; M71-C158 VanDerWaalsContact CB-SG 3.52Å; M71-C158 HydrophobicContact CE-CB 4.44Å; L154-C158 WeakPolarHBondContact O-CA 3.35Å; L154-C158 WeakPolarHBondContact O-CB 3.48Å; L154-C158 PolarHBondContact O-N 3.12Å; C158-E160 VanDerWaalsContact C-N 3.3Å; C158-E160 PolarHBondContact O-N 3.05Å; C158-T161 WeakPolarHBondContact CB-OG1 3.38Å; C158-T161 PolarHBondContact O-N 2.73Å; C158-T161 VanDerWaalsContact O-N 3.14Å; C158-T161 PolarHBondContact O-OG1 3.22Å
159	P	76.3	Confident	69.9	Low	82 Å²	82	85.3 Å²	85.3	53%	0.532	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-63.3	-33.6	-171.3	27.5	-35.9	0	0	0	113.3	T161 D162	P159-T161 PolarHBondContact O-N 2.97Å; P159-D162 PolarHBondContact O-N 3.3Å; P159-D162 VanDerWaalsContact O-N 3.12Å
160	E	73.6	Confident	67.2	Low	168 Å²	168	90.1 Å²	90.1	79%	0.785	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-61	-19.1	-179.6	-60.1	-177.9	134.9	0	0	113	C158	C158-E160 VanDerWaalsContact C-N 3.3Å; C158-E160 PolarHBondContact O-N 3.05Å
161	T	70	Confident	65.1	Low	3 Å²	3	94.8 Å²	94.8	2%	0.018	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-101.3	-17.3	-175.5	61.8	0	0	0	0	111.8	T26 L28 A35 R52 M71 C158 P159 G163	T26-T161 HydrophobicContact CG2-CG2 4.47Å; L28-T161 HydrophobicContact CD2-CG2 3.83Å; A35-T161 HydrophobicContact CB-CG2 4.04Å; R52-T161 VanDerWaalsContact CD-OG1 3.22Å; R52-T161 WeakPolarHBondContact CD-OG1 3.31Å; R52-T161 HydrophobicContact CG-CG2 4.38Å; R52-T161 VanDerWaalsContact CZ-C 3.47Å; R52-T161 VanDerWaalsContact CZ-O 3.24Å; R52-T161 VanDerWaalsContact NE-CB 3.31Å; R52-T161 PolarHBondContact NE-OG1 3.46Å; R52-T161 VanDerWaalsContact NE-OG1 3.13Å; R52-T161 PolarHBondContact NH1-O 3.08Å; R52-T161 VanDerWaalsContact NH1-O 3.14Å; R52-T161 PolarHBondContact NH1-OG1 3.19Å; R52-T161 VanDerWaalsContact NH2-C 3.35Å; R52-T161 PolarHBondContact NH2-O 3.5Å; M71-T161 HydrophobicContact CE-CG2 4.26Å; M71-T161 HydrophobicContact SD-CG2 4.4Å; C158-T161 WeakPolarHBondContact CB-OG1 3.38Å; C158-T161 PolarHBondContact O-N 2.73Å; C158-T161 VanDerWaalsContact O-N 3.14Å; C158-T161 PolarHBondContact O-OG1 3.22Å; P159-T161 PolarHBondContact O-N 2.97Å; T161-G163 PolarHBondContact O-N 2.87Å
162	D	60.9	Low	62.9	Low	72 Å²	72	98.5 Å²	98.5	39%	0.385	57%	0.565	S	S	.	*	S	Bend	trans	-92.1	72.9	176.4	-74	-24.6	0	0	0	110.8	R52 R155 P159	R52-D162 IonicContact CZ-OD1 2.78Å; R52-D162 IonicContact NH1-OD1 3.22Å; R52-D162 PolarHBondContact NH1-OD1 3.05Å; R155-D162 WeakPolarHBondContact CA-OD2 3.4Å; R155-D162 WeakPolarHBondContact CG-OD2 3.38Å; R155-D162 PolarHBondContact N-OD2 2.9Å; P159-D162 PolarHBondContact O-N 3.3Å; P159-D162 VanDerWaalsContact O-N 3.12Å
163	G	52.4	Low	60.4	Low	70 Å²	70	94.5 Å²	94.5	72%	0.722	57%	0.566	S	S	*	*			trans	-166.8	-3.5	-174	0	0	0	0	0	120.5	T161	T161-G163 PolarHBondContact O-N 2.87Å
164	A	47.6	Very low	57.9	Low	101 Å²	101	106 Å²	106	84%	0.835	61%	0.608	S	S	*	*	S	Bend	trans	-94.3	9.4	-177.4	0	0	0	0	0	115.5
165	G	39.9	Very low	55.3	Low	69 Å²	69	111.4 Å²	111.4	71%	0.711	64%	0.644	S	S	*	*	S	Bend	trans	-154.6	17.6	-168.6	0	0	0	0	0	118.7
166	S	39.6	Very low	53.2	Low	113 Å²	113	110.8 Å²	110.8	79%	0.79	65%	0.654	S	S	*	*			trans	-144.8	75.6	169.4	-79.4	0	0	0	0	111.1	D168	S166-D168 PolarHBondContact O-N 3.38Å
167	S	35.7	Very low	51.1	Low	120 Å²	120	106.7 Å²	106.7	84%	0.839	66%	0.655	S	S	*	*			trans	-65.9	77.2	145.9	50.5	0	0	0	0	108.1	N169	S167-N169 VanDerWaalsContact C-N 3.26Å; S167-N169 PolarHBondContact O-N 3.35Å; S167-N169 VanDerWaalsContact O-N 3.08Å
168	D	40.6	Very low	49.6	Very low	140 Å²	140	111.6 Å²	111.6	75%	0.749	68%	0.681	S	S	*	*			trans	-76.8	91.1	162.9	-162.8	3.3	0	0	0	106.8	S166 S170	S166-D168 PolarHBondContact O-N 3.38Å; D168-S170 PolarHBondContact O-N 2.78Å
169	N	37	Very low	47.7	Very low	128 Å²	128	115 Å²	115	68%	0.684	72%	0.716	S	S	*	*			trans	-74.2	59.1	174.6	-148.9	29.6	0	0	0	108.6	S167 M171	S167-N169 VanDerWaalsContact C-N 3.26Å; S167-N169 PolarHBondContact O-N 3.35Å; S167-N169 VanDerWaalsContact O-N 3.08Å; N169-M171 PolarHBondContact O-N 2.93Å
170	S	41	Very low	45.8	Very low	101 Å²	101	119.7 Å²	119.7	71%	0.706	73%	0.731	S	S	*	*			trans	-82.8	67.4	170.3	-173.6	0	0	0	0	108.7	D168 N172	D168-S170 PolarHBondContact O-N 2.78Å; S170-N172 PolarHBondContact O-N 3.2Å
171	M	51	Low	43.9	Very low	146 Å²	146	117 Å²	117	72%	0.719	73%	0.729	S	S	*	*			trans	-55.9	116.5	162.6	-80.9	179.6	165.9	0	0	109	N169	N169-M171 PolarHBondContact O-N 2.93Å
172	N	46.6	Very low	42.5	Very low	159 Å²	159	125.3 Å²	125.3	85%	0.85	77%	0.768	S	S	*	*			trans	35.9	129.3	137.9	-73.5	-16.5	0	0	0	119.7	S170	S170-N172 PolarHBondContact O-N 3.2Å
173	G	39.9	Very low	41.5	Very low	74 Å²	74	125.4 Å²	125.4	76%	0.763	79%	0.786	S	S	*	*				106.8	90.6	125	0	0	0	0	0	114.3	C175	G173-C175 PolarHBondContact O-N 2.98Å
174	R	38.8	Very low	41.1	Very low	248 Å²	248	131.7 Å²	131.7	94%	0.936	80%	0.797	S	S	*	*			trans	-41.7	121.1	159.1	-76.4	168.7	158.2	168.8	-6.8	110.8	N176	R174-N176 PolarHBondContact O-N 3.47Å
175	C	35.8	Very low	40.8	Very low	113 Å²	113	130.2 Å²	130.2	76%	0.764	79%	0.792	S	S	*	*			trans	-55.3	128.4	159.5	52.1	0	0	0	0	110.1	G173	G173-C175 PolarHBondContact O-N 2.98Å
176	N	43.6	Very low	41.3	Very low	166 Å²	166	136.4 Å²	136.4	89%	0.888	80%	0.802	S	S	*	*			trans	-168.9	112.3	146	-98.5	-7.4	0	0	0	110.6	R174	R174-N176 PolarHBondContact O-N 3.47Å
177	G	41.8	Very low	41.2	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	81%	0.806	S	S	*	*			trans	82.3	112.7	138.5	0	0	0	0	0	118.4
178	H	47.7	Very low	42	Very low	204 Å²	204	138.9 Å²	138.9	94%	0.944	81%	0.807	S	S	*	*			trans	71.2	118.1	144.5	-64.4	77.8	0	0	0	118.8
179	G	41.2	Very low	42.1	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	81%	0.813	S	S	*	*			trans	125.5	90.5	139	0	0	0	0	0	116.6
180	H	37.4	Very low	43	Very low	180 Å²	180	141.1 Å²	141.1	83%	0.833	82%	0.822	S	S	*	*			trans	61.6	132	134.8	-124.3	60.3	0	0	0	121.3
181	C	32.9	Very low	43.2	Very low	112 Å²	112	145 Å²	145	76%	0.757	83%	0.829	S	S	*	*			trans	-124.6	126	-173.9	47	0	0	0	0	110.4
182	E	41.6	Very low	43	Very low	177 Å²	177	143 Å²	143	83%	0.827	83%	0.83	S	S	*	*			trans	-150.9	121.2	159.9	-63.4	-168.2	146.7	0	0	105.9
183	G	40	Very low	43.2	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	83%	0.827	S	S	*	*				73	125.6	95.3	0	0	0	0	0	110
184	E	44.6	Very low	43.8	Very low	201 Å²	201	145.7 Å²	145.7	94%	0.939	83%	0.83	S	S	*	*			cis	-164.8	151.3	38	-63.4	175.9	140.8	0	0	105.3
185	G	40.6	Very low	44.7	Very low	71 Å²	71	139.6 Å²	139.6	73%	0.732	83%	0.825	S	S	*	*				106.9	125.8	60.1	0	0	0	0	0	111.1
186	Q	49.5	Very low	45.6	Very low	199 Å²	199	141 Å²	141	93%	0.93	83%	0.825	S	S	*	*			trans	108.6	110	154.4	-62.5	-179	-20.9	0	0	120.7
187	D	38.9	Very low	46.1	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	83%	0.825	S	S	*	*			trans	-66.3	154.5	162.1	-58.2	-62.8	0	0	0	113.4
188	S	52.7	Low	47.2	Very low	122 Å²	122	144.1 Å²	144.1	85%	0.853	82%	0.824	S	S	*	*			trans	-167	126.3	137.9	39	0	0	0	0	112.2
189	E	41	Very low	47.4	Very low	191 Å²	191	143.6 Å²	143.6	89%	0.893	82%	0.822	S	S	*	*			trans	-79.9	151.2	166.9	-58.1	174.6	111	0	0	110.4
190	S	55.6	Low	48.5	Very low	124 Å²	124	147.3 Å²	147.3	87%	0.867	83%	0.825	S	S	*	*			trans	-174.7	156.2	146.2	28.6	0	0	0	0	112.2
191	E	45.9	Very low	49.6	Very low	182 Å²	182	145 Å²	145	85%	0.85	81%	0.814	S	S	*	*			trans	-96.3	172.4	-149	-61.8	170.3	90.8	0	0	115.9
192	S	46.5	Very low	50.7	Low	105 Å²	105	146 Å²	146	73%	0.734	82%	0.817	S	S	*	*			trans	81	127.2	140.3	76.2	0	0	0	0	118.7
193	T	51.4	Low	51.7	Low	129 Å²	129	145.4 Å²	145.4	79%	0.791	81%	0.812	S	S	*	*				-178.7	124.8	103	-70.3	0	0	0	0	110.1
194	I	52.1	Low	52.5	Low	161 Å²	161	149.5 Å²	149.5	83%	0.826	82%	0.816	S	S	*	*			trans	-74.3	139.8	167.4	-169.7	169.4	0	0	0	109.8
195	S	58.8	Low	53.4	Low	120 Å²	120	147.9 Å²	147.9	84%	0.839	81%	0.811	S	S	*	*			trans	-149.8	141.3	152.8	57.4	0	0	0	0	111.3
196	D	53.1	Low	54.5	Low	141 Å²	141	152.6 Å²	152.6	75%	0.754	81%	0.814	S	S	*	*			trans	-92.4	146.2	-166.6	-177.1	20.7	0	0	0	110.1
197	F	54.8	Low	54.7	Low	203 Å²	203	155 Å²	155	89%	0.89	83%	0.832	S	S	*	*			trans	-154.6	85.9	164.9	-119.8	-83.8	0	0	0	111.3
198	S	64.1	Low	55.5	Low	93 Å²	93	154.7 Å²	154.7	65%	0.65	83%	0.83	S	S	*	*			trans	24.8	132.5	137.6	40.3	0	0	0	0	122.3
199	E	51.9	Low	55.7	Low	193 Å²	193	156.4 Å²	156.4	90%	0.902	83%	0.829	S	S	*	*			trans	-62.5	149.1	164	-59.4	164.3	133.6	0	0	113.3
200	D	64.5	Low	56.5	Low	152 Å²	152	154.4 Å²	154.4	81%	0.813	83%	0.825	S	S	*	*			trans	-159.7	148.9	142.6	-150.5	3.8	0	0	0	114.6
201	E	62	Low	56.5	Low	131 Å²	131	156.2 Å²	156.2	61%	0.612	82%	0.823	S	S	*	*			trans	78.6	88.8	157.6	-59.9	-145.4	100.6	0	0	121.8	K203	E201-K203 VanDerWaalsContact CD-NZ 3.33Å; E201-K203 IonicContact OE1-NZ 2.66Å; E201-K203 PolarHBondContact OE1-NZ 2.7Å; E201-K203 IonicContact OE2-NZ 2.66Å; E201-K203 PolarHBondContact OE2-NZ 3.22Å
202	T	54.3	Low	57.2	Low	134 Å²	134	154.6 Å²	154.6	82%	0.822	82%	0.821	S	S	*	*			trans	-67.3	135.4	137.5	43.7	0	0	0	0	111.9
203	K	63.3	Low	57.9	Low	164 Å²	164	157.9 Å²	157.9	71%	0.713	83%	0.827	S	S	*	*			trans	-134.2	107.5	158.1	-87.7	-172.4	175.7	83.1	0	110.3	E201	E201-K203 VanDerWaalsContact CD-NZ 3.33Å; E201-K203 IonicContact OE1-NZ 2.66Å; E201-K203 PolarHBondContact OE1-NZ 2.7Å; E201-K203 IonicContact OE2-NZ 2.66Å; E201-K203 PolarHBondContact OE2-NZ 3.22Å
204	D	57.1	Low	58.4	Low	162 Å²	162	160 Å²	160	87%	0.866	83%	0.829	S	S	*	*			trans	-72	132.4	155.5	-85.3	-61.2	0	0	0	109.7
205	M	63.9	Low	58.9	Low	166 Å²	166	159.9 Å²	159.9	82%	0.818	83%	0.829	S	S	*	*			trans	-166.6	117.4	140.7	-130.7	158.1	-167.5	0	0	112.9
206	E	62.4	Low	58.9	Low	170 Å²	170	163.3 Å²	163.3	79%	0.794	83%	0.829	S	S	*	*			trans	65.7	106.6	142.8	-67.7	178.3	139	0	0	121.4
207	L	55.2	Low	59.4	Low	250 Å²	250	165.3 Å²	165.3	100%	1.309	84%	0.835	S	S	*	*				-152.3	0	106.2	-95.9	171.8	0	0	0	110.8

Retrieved 207 of 207 residues in 409.3 ms (Link to these results)

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