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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 (P62257), UniProt , Accession A0A096MX46, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2H, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.2	Low	86.5	Confident	245 Å²	245	91.7 Å²	91.7	100%	1.207	51%	0.511	S	S	*	.				0	124.3	0	-61.9	-163.9	-170.3	0	0	107.9
2	S	73.3	Confident	87.2	Confident	120 Å²	120	88.2 Å²	88.2	84%	0.839	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-67.4	137	178.9	-54.9	0	0	0	0	109.9
3	S	79.6	Confident	87.9	Confident	96 Å²	96	88.4 Å²	88.4	67%	0.671	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-60.3	140	173.6	-79.5	0	0	0	0	110.3
4	P	85.7	Confident	88.5	Confident	62 Å²	62	83.2 Å²	83.2	40%	0.403	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.5	143.3	175.6	23	-30.7	0	0	0	109.8	K8 R9	P4-K8 HydrophobicContact CB-CB 4.28Å; P4-K8 HydrophobicContact CB-CG 4.19Å; P4-R9 HydrophobicContact CB-CG 4.09Å; P4-R9 HydrophobicContact CG-CG 3.76Å; P4-R9 PolarHBondContact O-NE 3.45Å
5	S	89.9	Confident	89.1	Confident	67 Å²	67	77.7 Å²	77.7	47%	0.469	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.7	154.2	178.2	71.2	0	0	0	0	110.6	G7 K8 R9	S5-G7 PolarHBondContact O-N 3.12Å; S5-K8 PolarHBondContact O-N 2.96Å; S5-K8 WeakPolarHBondContact OG-CB 3.39Å; S5-K8 PolarHBondContact OG-N 3.05Å; S5-K8 VanDerWaalsContact OG-N 3.14Å; S5-R9 PolarHBondContact O-N 3.14Å
6	P	91.1	Very high	89.5	Confident	108 Å²	108	76.7 Å²	76.7	70%	0.701	43%	0.432	S	S	*	.	H	α-helix	trans	-54.3	-38.7	176.5	-26.4	34.7	0	0	0	112.9	R9 R10	P6-R9 PolarHBondContact O-N 2.84Å; P6-R10 WeakPolarHBondContact O-CG 3.48Å; P6-R10 PolarHBondContact O-N 2.78Å
7	G	91	Very high	89.9	Confident	16 Å²	16	78.4 Å²	78.4	17%	0.165	43%	0.433	C	S	.	.	H	α-helix	trans	-64.2	-41	175.4	0	0	0	0	0	112.8	S5 R10 M11 Y61	S5-G7 PolarHBondContact O-N 3.12Å; G7-R10 WeakPolarHBondContact O-CB 3.29Å; G7-R10 PolarHBondContact O-N 3.37Å; G7-M11 WeakPolarHBondContact O-CB 3.36Å; G7-M11 PolarHBondContact O-N 2.73Å; G7-Y61 WeakPolarHBondContact CA-O 3.31Å
8	K	92.2	Very high	90.3	Very high	78 Å²	78	74.1 Å²	74.1	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-66.6	-41.9	176.1	-174.9	55.6	175.6	142	0	112.2	P4 S5 R10 M11 D12	P4-K8 HydrophobicContact CB-CB 4.28Å; P4-K8 HydrophobicContact CB-CG 4.19Å; S5-K8 PolarHBondContact O-N 2.96Å; S5-K8 WeakPolarHBondContact OG-CB 3.39Å; S5-K8 PolarHBondContact OG-N 3.05Å; S5-K8 VanDerWaalsContact OG-N 3.14Å; K8-R10 VanDerWaalsContact C-N 3.3Å; K8-R10 PolarHBondContact O-N 3.5Å; K8-M11 HydrophobicContact CD-SD 4.15Å; K8-M11 WeakPolarHBondContact O-CB 3.29Å; K8-M11 PolarHBondContact O-N 2.98Å; K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 IonicContact NZ-OD1 2.65Å; K8-D12 PolarHBondContact NZ-OD1 3.48Å; K8-D12 IonicContact NZ-OD2 3.92Å; K8-D12 VanDerWaalsContact O-CG 3.24Å; K8-D12 PolarHBondContact O-N 3.49Å
9	R	93.9	Very high	90.6	Very high	132 Å²	132	74.2 Å²	74.2	50%	0.498	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-41	173.7	-66.6	-178.4	-173.8	-158.5	-6	112	P4 S5 P6 T13	P4-R9 HydrophobicContact CB-CG 4.09Å; P4-R9 HydrophobicContact CG-CG 3.76Å; P4-R9 PolarHBondContact O-NE 3.45Å; S5-R9 PolarHBondContact O-N 3.14Å; P6-R9 PolarHBondContact O-N 2.84Å; R9-T13 WeakPolarHBondContact O-CB 3.4Å; R9-T13 PolarHBondContact O-N 2.99Å; R9-T13 PolarHBondContact O-OG1 3.06Å
10	R	95.3	Very high	90.8	Very high	74 Å²	74	78.3 Å²	78.3	28%	0.279	43%	0.425	S	S	.	.	H	α-helix	trans	-62.7	-49.1	174.7	-81.8	-66.2	-53.2	-76.7	-9.9	111.5	P6 G7 K8 D12 T13 D14 A97	P6-R10 WeakPolarHBondContact O-CG 3.48Å; P6-R10 PolarHBondContact O-N 2.78Å; G7-R10 WeakPolarHBondContact O-CB 3.29Å; G7-R10 PolarHBondContact O-N 3.37Å; K8-R10 VanDerWaalsContact C-N 3.3Å; K8-R10 PolarHBondContact O-N 3.5Å; R10-D12 PolarHBondContact O-N 3.03Å; R10-T13 PolarHBondContact O-N 2.91Å; R10-D14 IonicContact CZ-OD2 2.73Å; R10-D14 IonicContact NE-OD1 2.65Å; R10-D14 IonicContact NE-OD2 2.76Å; R10-D14 IonicContact NH2-OD1 2.95Å; R10-D14 IonicContact NH2-OD2 3.45Å; R10-D14 PolarHBondContact NH2-OD2 3.45Å; R10-D14 WeakPolarHBondContact O-CB 3.25Å; R10-D14 PolarHBondContact O-N 3.37Å; R10-A97 PolarHBondContact NH1-O 3.15Å; R10-A97 PolarHBondContact NH2-O 3.16Å
11	M	95.8	Very high	91	Very high	11 Å²	11	76.3 Å²	76.3	5%	0.054	42%	0.416	C	S	.	.	H	α-helix	trans	-53.7	-51.7	175.6	-178.6	-172.9	-70	0	0	111.7	G7 K8 T13 D14 V15 N32 L57 Y61	G7-M11 WeakPolarHBondContact O-CB 3.36Å; G7-M11 PolarHBondContact O-N 2.73Å; K8-M11 HydrophobicContact CD-SD 4.15Å; K8-M11 WeakPolarHBondContact O-CB 3.29Å; K8-M11 PolarHBondContact O-N 2.98Å; M11-T13 VanDerWaalsContact C-N 3.32Å; M11-T13 PolarHBondContact O-N 3.37Å; M11-D14 PolarHBondContact O-N 3.29Å; M11-V15 HydrophobicContact CG-CG2 4.43Å; M11-V15 WeakPolarHBondContact O-CB 3.44Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 2.86Å; M11-N32 HydrophobicContact CE-CB 4.22Å; M11-N32 HydrophobicContact SD-CB 3.83Å; M11-L57 HydrophobicContact CE-CB 3.86Å; M11-L57 HydrophobicContact CG-CD1 3.63Å; M11-L57 HydrophobicContact SD-CD1 4.44Å; M11-Y61 HydrophobicContact CB-CD1 3.8Å; M11-Y61 HydrophobicContact CB-CE1 4.19Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.41Å
12	D	95	Very high	92.5	Very high	49 Å²	49	72.5 Å²	72.5	26%	0.262	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-42.8	-178.3	-63.8	-15.7	0	0	0	111.2	K8 R10 V16 L31	K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 IonicContact NZ-OD1 2.65Å; K8-D12 PolarHBondContact NZ-OD1 3.48Å; K8-D12 IonicContact NZ-OD2 3.92Å; K8-D12 VanDerWaalsContact O-CG 3.24Å; K8-D12 PolarHBondContact O-N 3.49Å; R10-D12 PolarHBondContact O-N 3.03Å; D12-V16 WeakPolarHBondContact O-CB 3.41Å; D12-V16 WeakPolarHBondContact O-CG2 3.36Å; D12-V16 PolarHBondContact O-N 3.18Å; D12-L31 HydrophobicContact CB-CD1 4.4Å
13	T	95.8	Very high	93.5	Very high	91 Å²	91	68.1 Å²	68.1	56%	0.558	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-47.2	178.7	-53.3	0	0	0	0	111.9	R9 R10 M11 V15 V16 K17	R9-T13 WeakPolarHBondContact O-CB 3.4Å; R9-T13 PolarHBondContact O-N 2.99Å; R9-T13 PolarHBondContact O-OG1 3.06Å; R10-T13 PolarHBondContact O-N 2.91Å; M11-T13 VanDerWaalsContact C-N 3.32Å; M11-T13 PolarHBondContact O-N 3.37Å; T13-V15 VanDerWaalsContact C-N 3.34Å; T13-V15 PolarHBondContact O-N 3.41Å; T13-V16 PolarHBondContact O-N 3.5Å; T13-K17 WeakPolarHBondContact O-CB 3.23Å; T13-K17 PolarHBondContact O-N 2.99Å
14	D	96.7	Very high	94.4	Very high	16 Å²	16	68.5 Å²	68.5	9%	0.086	35%	0.351	C	S	.	.	H	α-helix	trans	-66.3	-38.4	-176.1	-65.3	-4.3	0	0	0	110.6	R10 M11 L18 Y61 L101	R10-D14 IonicContact CZ-OD2 2.73Å; R10-D14 IonicContact NE-OD1 2.65Å; R10-D14 IonicContact NE-OD2 2.76Å; R10-D14 IonicContact NH2-OD1 2.95Å; R10-D14 IonicContact NH2-OD2 3.45Å; R10-D14 PolarHBondContact NH2-OD2 3.45Å; R10-D14 WeakPolarHBondContact O-CB 3.25Å; R10-D14 PolarHBondContact O-N 3.37Å; M11-D14 PolarHBondContact O-N 3.29Å; D14-L18 PolarHBondContact O-N 3.41Å; D14-L18 VanDerWaalsContact O-N 3.08Å; D14-Y61 HydrophobicContact CB-CE1 4.48Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.33Å; D14-Y61 PolarHBondContact OD2-OH 2.84Å; D14-L101 HydrophobicContact CB-CB 4.24Å; D14-L101 HydrophobicContact CB-CD2 4.39Å
15	V	96.4	Very high	94.9	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-73.3	-41.9	177.7	178.3	0	0	0	0	111.6	M11 T13 K17 L18 I19 I27 L31 F34 L57 L101	M11-V15 HydrophobicContact CG-CG2 4.43Å; M11-V15 WeakPolarHBondContact O-CB 3.44Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 2.86Å; T13-V15 VanDerWaalsContact C-N 3.34Å; T13-V15 PolarHBondContact O-N 3.41Å; V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.33Å; V15-L18 PolarHBondContact O-N 3.44Å; V15-L18 VanDerWaalsContact O-N 3.12Å; V15-I19 HydrophobicContact CG1-CD1 4.12Å; V15-I19 WeakPolarHBondContact O-CG1 3.35Å; V15-I19 PolarHBondContact O-N 3.15Å; V15-I27 HydrophobicContact CG1-CD1 4.18Å; V15-L31 HydrophobicContact CB-CB 4.45Å; V15-L31 HydrophobicContact CG1-CB 4.15Å; V15-L31 HydrophobicContact CG1-CD2 3.9Å; V15-L31 VanDerWaalsContact CG2-O 3.3Å; V15-L31 WeakPolarHBondContact CG2-O 3.47Å; V15-F34 HydrophobicContact CG1-CD1 4.4Å; V15-F34 HydrophobicContact CG2-CE1 3.97Å; V15-L57 HydrophobicContact CG2-CD1 3.61Å; V15-L101 HydrophobicContact CG2-CD2 3.81Å
16	V	96	Very high	95.3	Very high	62 Å²	62	68.1 Å²	68.1	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-43.2	174.3	168.7	0	0	0	0	110.6	D12 T13 L18 I19 E20	D12-V16 WeakPolarHBondContact O-CB 3.41Å; D12-V16 WeakPolarHBondContact O-CG2 3.36Å; D12-V16 PolarHBondContact O-N 3.18Å; T13-V16 PolarHBondContact O-N 3.5Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.09Å; V16-I19 PolarHBondContact O-N 2.77Å; V16-I19 VanDerWaalsContact O-N 3.15Å; V16-E20 HydrophobicContact CG1-CG 4.38Å; V16-E20 WeakPolarHBondContact O-CG 3.38Å; V16-E20 PolarHBondContact O-N 3.41Å
17	K	96.1	Very high	95.6	Very high	106 Å²	106	66 Å²	66	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-37.9	175	-171.7	-173.8	-179.1	-168.3	0	112.4	T13 V15 E20 S21 D100	T13-K17 WeakPolarHBondContact O-CB 3.23Å; T13-K17 PolarHBondContact O-N 2.99Å; V15-K17 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 3.28Å; K17-E20 PolarHBondContact O-N 3.03Å; K17-S21 PolarHBondContact O-N 3.35Å; K17-D100 IonicContact NZ-OD1 3.05Å; K17-D100 IonicContact NZ-OD2 3.76Å; K17-D100 PolarHBondContact NZ-OD2 2.85Å
18	L	96.8	Very high	95.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.9	-41.4	175.4	-177.2	66.8	0	0	0	111.6	D14 V15 V16 E20 S21 H23 V25 F34 V36 L101 F105	D14-L18 PolarHBondContact O-N 3.41Å; D14-L18 VanDerWaalsContact O-N 3.08Å; V15-L18 WeakPolarHBondContact O-CB 3.33Å; V15-L18 PolarHBondContact O-N 3.44Å; V15-L18 VanDerWaalsContact O-N 3.12Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.09Å; L18-E20 VanDerWaalsContact C-N 3.33Å; L18-E20 PolarHBondContact O-N 3.13Å; L18-S21 VanDerWaalsContact O-CB 3.27Å; L18-S21 WeakPolarHBondContact O-CB 3.32Å; L18-S21 PolarHBondContact O-N 3.43Å; L18-S21 PolarHBondContact O-OG 3.43Å; L18-H23 HydrophobicContact CD1-CB 4.5Å; L18-V25 HydrophobicContact CD2-CG2 4.25Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; L18-F34 HydrophobicContact CD2-CD2 4.1Å; L18-F34 HydrophobicContact CD2-CE2 3.39Å; L18-F34 HydrophobicContact CD2-CZ 3.88Å; L18-V36 HydrophobicContact CD2-CG2 4.15Å; L18-L101 HydrophobicContact CB-CD2 4.39Å; L18-L101 HydrophobicContact CD2-CD2 3.94Å; L18-L101 HydrophobicContact CD2-CG 4.16Å; L18-F105 HydrophobicContact CD1-CD2 3.96Å; L18-F105 HydrophobicContact CD1-CE2 4.19Å; L18-F105 HydrophobicContact CD2-CE2 4Å
19	I	95.9	Very high	95.8	Very high	77 Å²	77	68.6 Å²	68.6	40%	0.395	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-38.6	175.9	-64.3	164.6	0	0	0	111.4	V15 V16 S21 V25 I27 L31	V15-I19 HydrophobicContact CG1-CD1 4.12Å; V15-I19 WeakPolarHBondContact O-CG1 3.35Å; V15-I19 PolarHBondContact O-N 3.15Å; V16-I19 PolarHBondContact O-N 2.77Å; V16-I19 VanDerWaalsContact O-N 3.15Å; I19-S21 PolarHBondContact O-N 3.4Å; I19-V25 HydrophobicContact CG1-CB 4.16Å; I19-V25 HydrophobicContact CG1-CG1 4.06Å; I19-V25 HydrophobicContact CG1-CG2 4.45Å; I19-I27 HydrophobicContact CD1-CD1 4.04Å; I19-I27 HydrophobicContact CD1-CG1 4.29Å; I19-I27 HydrophobicContact CG1-CD1 4.47Å; I19-L31 HydrophobicContact CD1-CD2 4.49Å
20	E	95.5	Very high	95.8	Very high	156 Å²	156	63.2 Å²	63.2	73%	0.729	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.7	177.7	-69.4	178.3	166.7	0	0	113.5	V16 K17 L18	V16-E20 HydrophobicContact CG1-CG 4.38Å; V16-E20 WeakPolarHBondContact O-CG 3.38Å; V16-E20 PolarHBondContact O-N 3.41Å; K17-E20 PolarHBondContact O-N 3.03Å; L18-E20 VanDerWaalsContact C-N 3.33Å; L18-E20 PolarHBondContact O-N 3.13Å
21	S	94.9	Very high	95.8	Very high	36 Å²	36	62.3 Å²	62.3	25%	0.252	34%	0.343	S	S	.	.	S	Bend	trans	-80.1	-174.8	178.5	82.6	0	0	0	0	112.2	K17 L18 I19 H23	K17-S21 PolarHBondContact O-N 3.35Å; L18-S21 VanDerWaalsContact O-CB 3.27Å; L18-S21 WeakPolarHBondContact O-CB 3.32Å; L18-S21 PolarHBondContact O-N 3.43Å; L18-S21 PolarHBondContact O-OG 3.43Å; I19-S21 PolarHBondContact O-N 3.4Å; S21-H23 PolarHBondContact O-N 3.48Å; S21-H23 PolarHBondContact OG-CD2 3.01Å; S21-H23 PolarHBondContact OG-N 2.95Å
22	K	94.9	Very high	95.8	Very high	165 Å²	165	65 Å²	65	72%	0.717	36%	0.358	S	S	*	.	S	Bend	trans	-74.2	-8.3	174.1	69.5	-172.2	179.2	-157.2	0	114.1	E106	K22-E106 WeakPolarHBondContact CE-OE1 3.16Å; K22-E106 IonicContact NZ-OE1 3.71Å; K22-E106 PolarHBondContact NZ-OE1 3Å
23	H	96.1	Very high	96	Very high	29 Å²	29	64.8 Å²	64.8	13%	0.134	36%	0.356	C	S	.	.	S	Bend	trans	-83.3	138.4	-174.5	-59.8	-67.9	0	0	0	110.7	L18 S21 V25 V36 E106	L18-H23 HydrophobicContact CD1-CB 4.5Å; S21-H23 PolarHBondContact O-N 3.48Å; S21-H23 PolarHBondContact OG-CD2 3.01Å; S21-H23 PolarHBondContact OG-N 2.95Å; H23-V25 PolarHBondContact O-N 3.2Å; H23-V36 HydrophobicContact CB-CG1 3.85Å; H23-E106 VanDerWaalsContact NE2-CG 3.34Å; H23-E106 WeakPolarHBondContact NE2-CG 3.44Å; H23-E106 IonicContact NE2-OE1 2.73Å
24	E	96.5	Very high	96.1	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	33%	0.329	S	S	.	.			trans	-80.7	104.3	177.6	-64.7	167	-112.6	0	0	109.7	V36 K37	E24-V36 WeakPolarHBondContact O-CA 3.25Å; E24-K37 HydrophobicContact CB-CB 3.9Å; E24-K37 PolarHBondContact O-N 3.01Å; E24-K37 WeakPolarHBondContact OE1-CD 3.32Å; E24-K37 WeakPolarHBondContact OE2-CD 3.39Å; E24-K37 IonicContact OE2-NZ 3.59Å
25	V	97.5	Very high	96.1	Very high	32 Å²	32	60.2 Å²	60.2	19%	0.194	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127	-176.8	-172	0	0	0	0	111	L18 I19 H23 I27 F34 V35 V36	L18-V25 HydrophobicContact CD2-CG2 4.25Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; I19-V25 HydrophobicContact CG1-CB 4.16Å; I19-V25 HydrophobicContact CG1-CG1 4.06Å; I19-V25 HydrophobicContact CG1-CG2 4.45Å; H23-V25 PolarHBondContact O-N 3.2Å; V25-I27 HydrophobicContact CG1-CD1 3.97Å; V25-F34 HydrophobicContact CG1-CB 4.1Å; V25-F34 HydrophobicContact CG1-CD2 4.04Å; V25-F34 HydrophobicContact CG1-CG 4.29Å; V25-V35 CarbonylContact C-O 3.54Å; V25-V35 WeakPolarHBondContact CA-O 3.42Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.17Å
26	T	97.2	Very high	96.2	Very high	89 Å²	89	60.2 Å²	60.2	55%	0.546	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.3	170.9	-58.3	0	0	0	0	109.4	F34 V35	T26-F34 CarbonylContact O-C 3.59Å; T26-F34 VanDerWaalsContact O-CA 3.32Å; T26-F34 WeakPolarHBondContact O-CA 3.29Å; T26-F34 WeakPolarHBondContact O-CB 3.41Å; T26-V35 PolarHBondContact N-O 2.79Å; T26-V35 PolarHBondContact O-N 3.36Å
27	I	97.2	Very high	96.3	Very high	63 Å²	63	59.4 Å²	59.4	32%	0.323	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.8	175.5	-57.3	-55.4	0	0	0	109.7	V15 I19 V25 G30 L31 F34	V15-I27 HydrophobicContact CG1-CD1 4.18Å; I19-I27 HydrophobicContact CD1-CD1 4.04Å; I19-I27 HydrophobicContact CD1-CG1 4.29Å; I19-I27 HydrophobicContact CG1-CD1 4.47Å; V25-I27 HydrophobicContact CG1-CD1 3.97Å; I27-G30 WeakPolarHBondContact CG2-O 3.47Å; I27-L31 HydrophobicContact CD1-CD2 4.13Å; I27-L31 HydrophobicContact CG1-CD2 4.38Å; I27-F34 HydrophobicContact CD1-CB 3.68Å; I27-F34 HydrophobicContact CD1-CG 4.4Å
28	L	95.5	Very high	96.4	Very high	74 Å²	74	54.8 Å²	54.8	39%	0.387	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-116.1	177.2	-58.2	-176.7	0	0	0	110.3	G30 E33 V35	L28-G30 VanDerWaalsContact C-N 3.27Å; L28-G30 PolarHBondContact O-N 3.3Å; L28-E33 HydrophobicContact CB-CB 4.38Å; L28-E33 HydrophobicContact CB-CG 3.86Å; L28-E33 WeakPolarHBondContact CB-O 3.25Å; L28-E33 HydrophobicContact CD1-CG 3.75Å; L28-E33 HydrophobicContact CG-CG 4.27Å; L28-E33 PolarHBondContact N-O 2.83Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.14Å; L28-V35 HydrophobicContact CG-CG2 4.1Å
29	G	92.8	Very high	96.5	Very high	74 Å²	74	60.4 Å²	60.4	76%	0.763	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	-19.5	-179.4	0	0	0	0	0	114.6
30	G	94.2	Very high	96.6	Very high	20 Å²	20	57.2 Å²	57.2	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	179.4	179.6	0	0	0	0	0	112.5	I27 L28 N32 E33	I27-G30 WeakPolarHBondContact CG2-O 3.47Å; L28-G30 VanDerWaalsContact C-N 3.27Å; L28-G30 PolarHBondContact O-N 3.3Å; G30-N32 PolarHBondContact O-N 2.76Å; G30-E33 CarbonylContact O-C 3.5Å; G30-E33 PolarHBondContact O-N 3.34Å
31	L	94.8	Very high	96.7	Very high	54 Å²	54	50.9 Å²	50.9	28%	0.283	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.2	-179.2	-61.7	-177.1	0	0	0	113.8	D12 V15 I19 I27 E33	D12-L31 HydrophobicContact CB-CD1 4.4Å; V15-L31 HydrophobicContact CB-CB 4.45Å; V15-L31 HydrophobicContact CG1-CB 4.15Å; V15-L31 HydrophobicContact CG1-CD2 3.9Å; V15-L31 VanDerWaalsContact CG2-O 3.3Å; V15-L31 WeakPolarHBondContact CG2-O 3.47Å; I19-L31 HydrophobicContact CD1-CD2 4.49Å; I27-L31 HydrophobicContact CD1-CD2 4.13Å; I27-L31 HydrophobicContact CG1-CD2 4.38Å; L31-E33 VanDerWaalsContact C-N 3.33Å
32	N	96.4	Very high	96.8	Very high	69 Å²	69	57.5 Å²	57.5	37%	0.369	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.9	174.5	65.7	-48.8	0	0	0	113.6	M11 G30 D56 L57	M11-N32 HydrophobicContact CE-CB 4.22Å; M11-N32 HydrophobicContact SD-CB 3.83Å; G30-N32 PolarHBondContact O-N 2.76Å; N32-D56 CarbonylContact O-C 3.6Å; N32-D56 WeakPolarHBondContact O-CA 3.41Å; N32-L57 HydrophobicContact CB-CB 4.21Å; N32-L57 PolarHBondContact O-N 2.95Å
33	E	97.8	Very high	96.9	Very high	43 Å²	43	53.2 Å²	53.2	20%	0.201	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	113.4	-179.1	-176.3	-170.4	-173.6	0	0	109.5	L28 G30 L31 R54 V55 D56	L28-E33 HydrophobicContact CB-CB 4.38Å; L28-E33 HydrophobicContact CB-CG 3.86Å; L28-E33 WeakPolarHBondContact CB-O 3.25Å; L28-E33 HydrophobicContact CD1-CG 3.75Å; L28-E33 HydrophobicContact CG-CG 4.27Å; L28-E33 PolarHBondContact N-O 2.83Å; G30-E33 CarbonylContact O-C 3.5Å; G30-E33 PolarHBondContact O-N 3.34Å; L31-E33 VanDerWaalsContact C-N 3.33Å; E33-R54 IonicContact OE1-CZ 3.92Å; E33-R54 IonicContact OE1-NE 3Å; E33-R54 IonicContact OE1-NH1 2.83Å; E33-R54 PolarHBondContact OE1-NH1 3.07Å; E33-R54 IonicContact OE1-NH2 3.97Å; E33-R54 PolarHBondContact OE1-NH2 3.43Å; E33-V55 WeakPolarHBondContact CA-O 3.43Å; E33-D56 WeakPolarHBondContact CG-OD1 3.5Å
34	F	98.3	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.9	-176.8	56.5	-91.1	0	0	0	111.7	V15 L18 V25 T26 I27 V36 R54 V55 L57 L101	V15-F34 HydrophobicContact CG1-CD1 4.4Å; V15-F34 HydrophobicContact CG2-CE1 3.97Å; L18-F34 HydrophobicContact CD2-CD2 4.1Å; L18-F34 HydrophobicContact CD2-CE2 3.39Å; L18-F34 HydrophobicContact CD2-CZ 3.88Å; V25-F34 HydrophobicContact CG1-CB 4.1Å; V25-F34 HydrophobicContact CG1-CD2 4.04Å; V25-F34 HydrophobicContact CG1-CG 4.29Å; T26-F34 CarbonylContact O-C 3.59Å; T26-F34 VanDerWaalsContact O-CA 3.32Å; T26-F34 WeakPolarHBondContact O-CA 3.29Å; T26-F34 WeakPolarHBondContact O-CB 3.41Å; I27-F34 HydrophobicContact CD1-CB 3.68Å; I27-F34 HydrophobicContact CD1-CG 4.4Å; F34-V36 HydrophobicContact CD2-CG2 3.77Å; F34-V36 HydrophobicContact CE2-CG2 3.92Å; F34-R54 CarbonylContact O-C 3.55Å; F34-R54 WeakPolarHBondContact O-CA 3.4Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.24Å; F34-V55 HydrophobicContact CE1-CG1 4.11Å; F34-V55 HydrophobicContact CE2-CB 3.54Å; F34-V55 HydrophobicContact CE2-CG1 3.96Å; F34-V55 HydrophobicContact CE2-CG2 3.88Å; F34-V55 HydrophobicContact CZ-CB 3.59Å; F34-V55 HydrophobicContact CZ-CG1 3.49Å; F34-V55 VanDerWaalsContact CZ-CG1 3.49Å; F34-V55 HydrophobicContact CZ-CG2 4.29Å; F34-V55 PolarHBondContact N-O 2.87Å; F34-V55 PolarHBondContact O-N 3.42Å; F34-L57 HydrophobicContact CE1-CD1 3.97Å; F34-L57 HydrophobicContact CE1-CD2 4.3Å; F34-L57 HydrophobicContact CE1-CG 3.99Å; F34-L101 HydrophobicContact CE1-CD2 4.23Å; F34-L101 HydrophobicContact CZ-CD1 4.33Å; F34-L101 HydrophobicContact CZ-CD2 3.7Å; F34-L101 HydrophobicContact CZ-CG 4.25Å
35	V	98.3	Very high	97	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	177.2	180	0	0	0	0	108.7	V25 T26 L28 K52 V53 R54 M71	V25-V35 CarbonylContact C-O 3.54Å; V25-V35 WeakPolarHBondContact CA-O 3.42Å; T26-V35 PolarHBondContact N-O 2.79Å; T26-V35 PolarHBondContact O-N 3.36Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.14Å; L28-V35 HydrophobicContact CG-CG2 4.1Å; V35-K52 HydrophobicContact CG1-CB 3.72Å; V35-K52 HydrophobicContact CG1-CG 4.14Å; V35-V53 CarbonylContact C-O 3.59Å; V35-V53 WeakPolarHBondContact CA-O 3.39Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; V35-M71 HydrophobicContact CB-SD 4.47Å; V35-M71 HydrophobicContact CG1-SD 4.01Å; V35-M71 HydrophobicContact CG2-SD 3.55Å; V35-M71 VanDerWaalsContact CG2-SD 3.55Å
36	V	98.3	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.8	176	-175.7	0	0	0	0	109.6	L18 H23 E24 V25 F34 F38 V53 F105	L18-V36 HydrophobicContact CD2-CG2 4.15Å; H23-V36 HydrophobicContact CB-CG1 3.85Å; E24-V36 WeakPolarHBondContact O-CA 3.25Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.17Å; F34-V36 HydrophobicContact CD2-CG2 3.77Å; F34-V36 HydrophobicContact CE2-CG2 3.92Å; V36-F38 PolarHBondContact O-N 3.18Å; V36-V53 PolarHBondContact N-O 3.3Å; V36-V53 PolarHBondContact O-N 3.04Å; V36-F105 HydrophobicContact CB-CD1 4.19Å; V36-F105 HydrophobicContact CB-CE1 3.54Å; V36-F105 HydrophobicContact CB-CE2 4.03Å; V36-F105 HydrophobicContact CB-CZ 3.44Å; V36-F105 VanDerWaalsContact CB-CZ 3.44Å; V36-F105 HydrophobicContact CG1-CD1 3.95Å; V36-F105 HydrophobicContact CG1-CD2 4.27Å; V36-F105 HydrophobicContact CG1-CE1 3.83Å; V36-F105 HydrophobicContact CG1-CE2 4.15Å; V36-F105 HydrophobicContact CG1-CG 4.17Å; V36-F105 HydrophobicContact CG1-CZ 3.92Å; V36-F105 HydrophobicContact CG2-CD2 4.47Å; V36-F105 HydrophobicContact CG2-CE1 4.01Å; V36-F105 HydrophobicContact CG2-CE2 3.62Å; V36-F105 HydrophobicContact CG2-CZ 3.33Å
37	K	98	Very high	97.1	Very high	44 Å²	44	48.9 Å²	48.9	19%	0.191	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.6	170.5	-162.1	-179.7	-175.9	-179.7	0	109.6	E24 Y39 V50 E151	E24-K37 HydrophobicContact CB-CB 3.9Å; E24-K37 PolarHBondContact O-N 3.01Å; E24-K37 WeakPolarHBondContact OE1-CD 3.32Å; E24-K37 WeakPolarHBondContact OE2-CD 3.39Å; E24-K37 IonicContact OE2-NZ 3.59Å; K37-Y39 HydrophobicContact CD-CE2 4.37Å; K37-Y39 WeakPolarHBondContact CE-OH 3.18Å; K37-Y39 HydrophobicContact CG-CE2 4.5Å; K37-Y39 PolarHBondContact NZ-OH 2.73Å; K37-Y39 VanDerWaalsContact NZ-OH 3.1Å; K37-V50 HydrophobicContact CD-CG2 4.22Å; K37-V50 VanDerWaalsContact CE-CG2 3.42Å; K37-V50 HydrophobicContact CG-CG2 3.79Å; K37-E151 WeakPolarHBondContact CE-OE1 3.48Å; K37-E151 WeakPolarHBondContact CE-OE2 3.44Å; K37-E151 VanDerWaalsContact NZ-CD 3.27Å; K37-E151 IonicContact NZ-OE1 3.3Å; K37-E151 PolarHBondContact NZ-OE1 3.02Å; K37-E151 IonicContact NZ-OE2 3.69Å; K37-E151 PolarHBondContact NZ-OE2 3.22Å
38	F	98.4	Very high	97.1	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	-174.3	177.2	-106.8	0	0	0	110.8	V36 W51 V53 F70 F105 L109 P110 L113	V36-F38 PolarHBondContact O-N 3.18Å; F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 2.84Å; F38-W51 PolarHBondContact O-N 3.21Å; F38-V53 HydrophobicContact CB-CG2 3.63Å; F38-V53 HydrophobicContact CD1-CG2 4.31Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; F38-F70 HydrophobicContact CD1-CE1 4.16Å; F38-F70 HydrophobicContact CD1-CZ 4.46Å; F38-F105 HydrophobicContact CD2-CD1 4.12Å; F38-L109 HydrophobicContact CD2-CD1 4.35Å; F38-L109 HydrophobicContact CE1-CB 4.27Å; F38-L109 HydrophobicContact CE2-CB 3.88Å; F38-L109 HydrophobicContact CE2-CD1 4.39Å; F38-L109 HydrophobicContact CG-CD1 4.5Å; F38-L109 HydrophobicContact CZ-CB 3.67Å; F38-P110 HydrophobicContact CE2-CG 4.16Å; F38-P110 HydrophobicContact CZ-CG 4.31Å; F38-L113 HydrophobicContact CE1-CD2 3.8Å; F38-L113 HydrophobicContact CZ-CD2 4.35Å
39	Y	98.2	Very high	97.2	Very high	119 Å²	119	45.6 Å²	45.6	47%	0.467	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.3	178.1	-66.8	-79.6	0	0	0	110.7	K37 V50 E151	K37-Y39 HydrophobicContact CD-CE2 4.37Å; K37-Y39 WeakPolarHBondContact CE-OH 3.18Å; K37-Y39 HydrophobicContact CG-CE2 4.5Å; K37-Y39 PolarHBondContact NZ-OH 2.73Å; K37-Y39 VanDerWaalsContact NZ-OH 3.1Å; Y39-V50 HydrophobicContact CD1-CB 4.31Å; Y39-V50 HydrophobicContact CD1-CG2 4.26Å; Y39-V50 HydrophobicContact CE1-CB 4.28Å; Y39-V50 HydrophobicContact CE1-CG2 3.97Å; Y39-E151 PolarHBondContact OH-OE1 2.94Å
40	G	98.1	Very high	97.5	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-59.6	136.4	177.6	0	0	0	0	0	112.5	Y46 G49	G40-Y46 WeakPolarHBondContact CA-O 3.37Å; G40-G49 PolarHBondContact N-O 3.08Å
41	P	98	Very high	97.7	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.143	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.5	139.3	-176.2	24.5	-32.1	0	0	0	112.4	T44 P110 L113	P41-T44 HydrophobicContact CB-CG2 4.04Å; P41-T44 HydrophobicContact CG-CG2 3.7Å; P41-T44 PolarHBondContact O-N 3.12Å; P41-T44 PolarHBondContact O-OG1 3.38Å; P41-P110 HydrophobicContact CB-CB 4.17Å; P41-P110 HydrophobicContact CG-CB 4.49Å; P41-L113 HydrophobicContact CG-CB 3.99Å; P41-L113 HydrophobicContact CG-CD2 4.33Å
42	Q	97	Very high	97.9	Very high	175 Å²	175	41 Å²	41	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	145.7	176.2	-65.3	178.8	11.7	0	0	111.5	T44	Q42-T44 PolarHBondContact O-N 3.36Å
43	G	96	Very high	98	Very high	75 Å²	75	37.7 Å²	37.7	77%	0.773	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	9.5	-178.5	0	0	0	0	0	114.2	E47	G43-E47 PolarHBondContact N-OE2 2.98Å
44	T	97.2	Very high	98	Very high	20 Å²	20	39.9 Å²	39.9	12%	0.123	23%	0.225	C	C	.	.	S	Bend	trans	-116.3	163.9	176.4	77.7	0	0	0	0	110.9	P41 Q42 Y46 E47 A114	P41-T44 HydrophobicContact CB-CG2 4.04Å; P41-T44 HydrophobicContact CG-CG2 3.7Å; P41-T44 PolarHBondContact O-N 3.12Å; P41-T44 PolarHBondContact O-OG1 3.38Å; Q42-T44 PolarHBondContact O-N 3.36Å; T44-Y46 PolarHBondContact O-N 2.89Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 PolarHBondContact OG1-N 3.45Å; T44-E47 WeakPolarHBondContact O-CB 3.24Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.15Å; T44-A114 HydrophobicContact CG2-CB 3.87Å
45	P	97.6	Very high	98	Very high	35 Å²	35	39.9 Å²	39.9	23%	0.227	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.6	173.7	-20.5	33.5	0	0	0	113.6	K138 I141	P45-K138 HydrophobicContact CB-CG 4.17Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P45-I141 HydrophobicContact CB-CB 4.25Å; P45-I141 HydrophobicContact CB-CD1 3.74Å; P45-I141 HydrophobicContact CB-CG2 4.12Å; P45-I141 HydrophobicContact CG-CD1 4.35Å; P45-I141 VanDerWaalsContact O-CG2 3.24Å; P45-I141 WeakPolarHBondContact O-CG2 3.36Å
46	Y	98.5	Very high	98	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.1	-179.3	-59.2	-79.3	0	0	0	113.8	G40 T44 G48 G49 W51 I74 F75 H76 L113 Y137 I141	G40-Y46 WeakPolarHBondContact CA-O 3.37Å; T44-Y46 PolarHBondContact O-N 2.89Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 PolarHBondContact OG1-N 3.45Å; Y46-G48 PolarHBondContact O-N 3.27Å; Y46-G49 PolarHBondContact O-N 3.1Å; Y46-W51 AromaticContact CD1-CH2 3.9Å; Y46-W51 HydrophobicContact CD1-CH2 3.9Å; Y46-W51 HydrophobicContact CD1-CZ2 4.21Å; Y46-W51 HydrophobicContact CG-CH2 4.41Å; Y46-I74 HydrophobicContact CD1-CD1 4.13Å; Y46-I74 HydrophobicContact CD1-CG1 4.33Å; Y46-I74 HydrophobicContact CE1-CD1 3.99Å; Y46-I74 HydrophobicContact CE1-CG1 3.91Å; Y46-F75 WeakPolarHBondContact CE1-O 3.16Å; Y46-F75 PolarHBondContact OH-O 3.49Å; Y46-H76 AromaticContact CZ-CD2 3.77Å; Y46-H76 PolarHBondContact OH-CD2 3.36Å; Y46-L113 HydrophobicContact CD1-CD2 4.09Å; Y46-L113 HydrophobicContact CD1-CG 4.29Å; Y46-L113 HydrophobicContact CD2-CB 3.65Å; Y46-L113 HydrophobicContact CD2-CD2 3.97Å; Y46-L113 HydrophobicContact CD2-CG 3.74Å; Y46-L113 HydrophobicContact CE1-CG 4.47Å; Y46-L113 HydrophobicContact CE2-CB 3.95Å; Y46-L113 HydrophobicContact CE2-CG 3.94Å; Y46-L113 WeakPolarHBondContact CE2-O 3.44Å; Y46-L113 HydrophobicContact CG-CB 4.26Å; Y46-L113 HydrophobicContact CG-CD2 3.69Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; Y46-Y137 PolarHBondContact OH-OH 3.05Å; Y46-I141 HydrophobicContact CD1-CG2 3.67Å; Y46-I141 HydrophobicContact CE1-CD1 3.84Å; Y46-I141 HydrophobicContact CE1-CG1 4.07Å; Y46-I141 HydrophobicContact CE1-CG2 3.79Å; Y46-I141 HydrophobicContact CE2-CD1 4.03Å; Y46-I141 HydrophobicContact CG-CG2 4.26Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.39Å
47	E	98.1	Very high	98	Very high	108 Å²	108	41.6 Å²	41.6	51%	0.505	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	134.3	-178.1	-175.8	176.4	158.5	0	0	111.9	G43 T44 G49	G43-E47 PolarHBondContact N-OE2 2.98Å; T44-E47 WeakPolarHBondContact O-CB 3.24Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.15Å; E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 2.98Å
48	G	97.2	Very high	97.9	Very high	67 Å²	67	41.2 Å²	41.2	69%	0.691	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	-10.1	-177.9	0	0	0	0	0	114.9	Y46	Y46-G48 PolarHBondContact O-N 3.27Å
49	G	98.3	Very high	97.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.275	C	S	.	.			trans	-76.5	149.8	171.6	0	0	0	0	0	113	G40 Y46 E47 W51 A149	G40-G49 PolarHBondContact N-O 3.08Å; Y46-G49 PolarHBondContact O-N 3.1Å; E47-G49 VanDerWaalsContact C-N 3.27Å; E47-G49 PolarHBondContact O-N 2.98Å; G49-W51 VanDerWaalsContact C-CZ3 3.47Å; G49-W51 WeakPolarHBondContact O-CZ3 3.4Å; G49-A149 CarbonylContact C-O 3.29Å; G49-A149 WeakPolarHBondContact CA-O 3.19Å
50	V	98.5	Very high	97.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.5	175.6	60.4	0	0	0	0	110.7	K37 Y39 N72 A149 T150 E151 L154	K37-V50 HydrophobicContact CD-CG2 4.22Å; K37-V50 VanDerWaalsContact CE-CG2 3.42Å; K37-V50 HydrophobicContact CG-CG2 3.79Å; Y39-V50 HydrophobicContact CD1-CB 4.31Å; Y39-V50 HydrophobicContact CD1-CG2 4.26Å; Y39-V50 HydrophobicContact CE1-CB 4.28Å; Y39-V50 HydrophobicContact CE1-CG2 3.97Å; V50-N72 PolarHBondContact O-ND2 3.47Å; V50-A149 WeakPolarHBondContact CG1-O 3.3Å; V50-A149 PolarHBondContact N-O 2.93Å; V50-A149 WeakPolarHBondContact O-CA 3.48Å; V50-A149 VanDerWaalsContact O-CB 3.29Å; V50-A149 WeakPolarHBondContact O-CB 3.5Å; V50-T150 VanDerWaalsContact CG1-C 3.43Å; V50-E151 HydrophobicContact CG1-CG 4.26Å; V50-L154 HydrophobicContact CB-CD1 4.31Å; V50-L154 HydrophobicContact CG1-CD1 3.69Å; V50-L154 HydrophobicContact CG1-CG 4.34Å; V50-L154 HydrophobicContact CG2-CD1 3.81Å
51	W	98.7	Very high	97.5	Very high	3 Å²	3	49 Å²	49	1%	0.011	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.8	-179.1	-66.7	-89.5	0	0	0	112.6	F38 Y46 G49 V53 F70 N72 K73 I74 I145 A149	F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 2.84Å; F38-W51 PolarHBondContact O-N 3.21Å; Y46-W51 AromaticContact CD1-CH2 3.9Å; Y46-W51 HydrophobicContact CD1-CH2 3.9Å; Y46-W51 HydrophobicContact CD1-CZ2 4.21Å; Y46-W51 HydrophobicContact CG-CH2 4.41Å; G49-W51 VanDerWaalsContact C-CZ3 3.47Å; G49-W51 WeakPolarHBondContact O-CZ3 3.4Å; W51-V53 HydrophobicContact CB-CG2 4.27Å; W51-F70 HydrophobicContact CB-CD1 3.62Å; W51-F70 HydrophobicContact CB-CE1 3.85Å; W51-F70 AromaticContact CD1-CD1 3.61Å; W51-F70 HydrophobicContact CD2-CD1 4.31Å; W51-F70 HydrophobicContact CD2-CE1 4.19Å; W51-F70 AromaticContact CG-CD1 3.56Å; W51-F70 HydrophobicContact CG-CD1 3.56Å; W51-F70 AromaticContact CG-CE1 3.82Å; W51-F70 HydrophobicContact CG-CE1 3.82Å; W51-N72 WeakPolarHBondContact CA-OD1 3.22Å; W51-N72 WeakPolarHBondContact CB-OD1 3.44Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; W51-K73 PolarHBondContact NE1-O 2.87Å; W51-K73 VanDerWaalsContact NE1-O 3.12Å; W51-I74 HydrophobicContact CD2-CD1 4.39Å; W51-I74 HydrophobicContact CZ2-CD1 4.04Å; W51-I74 HydrophobicContact CZ2-CG1 4.1Å; W51-I145 HydrophobicContact CH2-CD1 4.34Å; W51-I145 HydrophobicContact CH2-CG1 4.06Å; W51-I145 HydrophobicContact CZ2-CG1 4.06Å; W51-A149 HydrophobicContact CD2-CB 4.13Å; W51-A149 HydrophobicContact CG-CB 4.43Å; W51-A149 HydrophobicContact CZ2-CB 3.81Å
52	K	98.3	Very high	97.5	Very high	45 Å²	45	48.1 Å²	48.1	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.1	163.6	-75.5	176.5	-178.6	170.7	0	108.1	V35 M71 N72 L154 E158	V35-K52 HydrophobicContact CG1-CB 3.72Å; V35-K52 HydrophobicContact CG1-CG 4.14Å; K52-M71 HydrophobicContact CB-CB 4Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.27Å; K52-M71 WeakPolarHBondContact O-CB 3.41Å; K52-M71 PolarHBondContact O-N 3.07Å; K52-N72 PolarHBondContact N-OD1 3.28Å; K52-L154 HydrophobicContact CD-CD2 4.31Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.97Å; K52-E158 PolarHBondContact NZ-OE1 3.06Å
53	V	98.6	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.3	-178.3	-179.7	0	0	0	0	108.9	V35 V36 F38 W51 V55 I68 G69 F70 F105 L109	V35-V53 CarbonylContact C-O 3.59Å; V35-V53 WeakPolarHBondContact CA-O 3.39Å; V36-V53 PolarHBondContact N-O 3.3Å; V36-V53 PolarHBondContact O-N 3.04Å; F38-V53 HydrophobicContact CB-CG2 3.63Å; F38-V53 HydrophobicContact CD1-CG2 4.31Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; W51-V53 HydrophobicContact CB-CG2 4.27Å; V53-V55 HydrophobicContact CG1-CG2 4.46Å; V53-I68 HydrophobicContact CG1-CG2 3.47Å; V53-I68 VanDerWaalsContact CG1-CG2 3.47Å; V53-G69 CarbonylContact C-O 3.23Å; V53-G69 WeakPolarHBondContact CA-O 3.4Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.45Å; V53-F70 HydrophobicContact CG2-CZ 4.1Å; V53-F105 HydrophobicContact CB-CE1 4Å; V53-F105 HydrophobicContact CG1-CE1 3.91Å; V53-L109 HydrophobicContact CG1-CD1 4.16Å; V53-L109 HydrophobicContact CG2-CD1 4.5Å
54	R	98.3	Very high	97.4	Very high	88 Å²	88	50.1 Å²	50.1	33%	0.332	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136	172.9	178.2	179.2	166.3	147.9	7.3	109.8	E33 F34 V35 D56 I68 G69 M71	E33-R54 IonicContact OE1-CZ 3.92Å; E33-R54 IonicContact OE1-NE 3Å; E33-R54 IonicContact OE1-NH1 2.83Å; E33-R54 PolarHBondContact OE1-NH1 3.07Å; E33-R54 IonicContact OE1-NH2 3.97Å; E33-R54 PolarHBondContact OE1-NH2 3.43Å; F34-R54 CarbonylContact O-C 3.55Å; F34-R54 WeakPolarHBondContact O-CA 3.4Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; R54-D56 IonicContact CZ-OD1 2.64Å; R54-D56 IonicContact CZ-OD2 3.5Å; R54-D56 IonicContact NE-OD1 3.5Å; R54-D56 PolarHBondContact NE-OD1 2.72Å; R54-D56 IonicContact NE-OD2 3.85Å; R54-D56 PolarHBondContact NE-OD2 2.94Å; R54-D56 IonicContact NH2-OD1 3.25Å; R54-D56 PolarHBondContact NH2-OD1 2.99Å; R54-D56 IonicContact NH2-OD2 2.58Å; R54-I68 WeakPolarHBondContact O-CA 3.29Å; R54-G69 PolarHBondContact N-O 3.34Å; R54-G69 PolarHBondContact O-N 2.85Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.16Å
55	V	98.4	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.8	174.5	-179	0	0	0	0	109	E33 F34 V53 L57 P66 S67 F105	E33-V55 WeakPolarHBondContact CA-O 3.43Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.24Å; F34-V55 HydrophobicContact CE1-CG1 4.11Å; F34-V55 HydrophobicContact CE2-CB 3.54Å; F34-V55 HydrophobicContact CE2-CG1 3.96Å; F34-V55 HydrophobicContact CE2-CG2 3.88Å; F34-V55 HydrophobicContact CZ-CB 3.59Å; F34-V55 HydrophobicContact CZ-CG1 3.49Å; F34-V55 VanDerWaalsContact CZ-CG1 3.49Å; F34-V55 HydrophobicContact CZ-CG2 4.29Å; F34-V55 PolarHBondContact N-O 2.87Å; F34-V55 PolarHBondContact O-N 3.42Å; V53-V55 HydrophobicContact CG1-CG2 4.46Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; V55-P66 HydrophobicContact CG1-CB 3.78Å; V55-S67 WeakPolarHBondContact CA-O 3.46Å; V55-F105 HydrophobicContact CG2-CE2 4.47Å; V55-F105 HydrophobicContact CG2-CZ 3.71Å
56	D	98.2	Very high	97.4	Very high	42 Å²	42	48.1 Å²	48.1	23%	0.225	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.3	173.2	-57	-104.8	0	0	0	109.6	N32 E33 R54 P66 S67	N32-D56 CarbonylContact O-C 3.6Å; N32-D56 WeakPolarHBondContact O-CA 3.41Å; E33-D56 WeakPolarHBondContact CG-OD1 3.5Å; R54-D56 IonicContact CZ-OD1 2.64Å; R54-D56 IonicContact CZ-OD2 3.5Å; R54-D56 IonicContact NE-OD1 3.5Å; R54-D56 PolarHBondContact NE-OD1 2.72Å; R54-D56 IonicContact NE-OD2 3.85Å; R54-D56 PolarHBondContact NE-OD2 2.94Å; R54-D56 IonicContact NH2-OD1 3.25Å; R54-D56 PolarHBondContact NH2-OD1 2.99Å; R54-D56 IonicContact NH2-OD2 2.58Å; D56-P66 WeakPolarHBondContact O-CA 3.42Å; D56-S67 WeakPolarHBondContact CB-OG 3.34Å; D56-S67 PolarHBondContact N-O 3.42Å; D56-S67 PolarHBondContact O-N 2.53Å
57	L	97.7	Very high	97.4	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	26%	0.262	C	S	.	.			trans	-98	121.9	179	-52.7	-173	0	0	0	109.7	M11 V15 N32 F34 V55 Y61 P66 L101	M11-L57 HydrophobicContact CE-CB 3.86Å; M11-L57 HydrophobicContact CG-CD1 3.63Å; M11-L57 HydrophobicContact SD-CD1 4.44Å; V15-L57 HydrophobicContact CG2-CD1 3.61Å; N32-L57 HydrophobicContact CB-CB 4.21Å; N32-L57 PolarHBondContact O-N 2.95Å; F34-L57 HydrophobicContact CE1-CD1 3.97Å; F34-L57 HydrophobicContact CE1-CD2 4.3Å; F34-L57 HydrophobicContact CE1-CG 3.99Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; L57-Y61 HydrophobicContact CB-CD2 4.3Å; L57-Y61 HydrophobicContact CB-CG 4.46Å; L57-Y61 HydrophobicContact CD1-CD2 4.47Å; L57-Y61 HydrophobicContact CD1-CE2 4.42Å; L57-Y61 HydrophobicContact CD2-CD2 4.04Å; L57-Y61 HydrophobicContact CD2-CE2 3.98Å; L57-P66 HydrophobicContact CD2-CB 3.74Å; L57-L101 HydrophobicContact CD2-CD1 3.99Å
58	P	96.8	Very high	97.4	Very high	37 Å²	37	45.7 Å²	45.7	24%	0.24	24%	0.238	C	C	.	.			trans	-73.2	159.8	-179.6	30.8	-36.6	0	0	0	112	K60 Y61 K64 S65	P58-K60 PolarHBondContact O-N 3.13Å; P58-Y61 WeakPolarHBondContact O-CB 3.49Å; P58-Y61 PolarHBondContact O-N 3.39Å; P58-K64 HydrophobicContact CB-CB 4.25Å; P58-K64 HydrophobicContact CG-CB 3.52Å; P58-S65 WeakPolarHBondContact CD-O 3.41Å; P58-S65 WeakPolarHBondContact CG-O 3.27Å
59	D	94.6	Very high	97.5	Very high	160 Å²	160	43.1 Å²	43.1	86%	0.856	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.8	177.1	-66.7	-18.6	0	0	0	114.2	Y61	D59-Y61 VanDerWaalsContact C-N 3.33Å
60	K	95.5	Very high	97.5	Very high	139 Å²	139	43.3 Å²	43.3	60%	0.604	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	12.7	179.3	-63.9	-172.8	179.9	-177.1	0	113.4	P58 F63 K64	P58-K60 PolarHBondContact O-N 3.13Å; K60-F63 WeakPolarHBondContact O-CA 3.49Å; K60-F63 WeakPolarHBondContact O-CB 3.29Å; K60-F63 PolarHBondContact O-N 3.2Å; K60-K64 HydrophobicContact CB-CB 4.26Å; K60-K64 HydrophobicContact CB-CD 4.15Å; K60-K64 HydrophobicContact CB-CG 3.94Å; K60-K64 HydrophobicContact CD-CD 4.42Å; K60-K64 PolarHBondContact O-N 3.01Å
61	Y	96.9	Very high	97.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	138.7	173.4	-178.7	-88.4	0	0	0	111.2	G7 M11 D14 L57 P58 D59 W95	G7-Y61 WeakPolarHBondContact CA-O 3.31Å; M11-Y61 HydrophobicContact CB-CD1 3.8Å; M11-Y61 HydrophobicContact CB-CE1 4.19Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.41Å; D14-Y61 HydrophobicContact CB-CE1 4.48Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.33Å; D14-Y61 PolarHBondContact OD2-OH 2.84Å; L57-Y61 HydrophobicContact CB-CD2 4.3Å; L57-Y61 HydrophobicContact CB-CG 4.46Å; L57-Y61 HydrophobicContact CD1-CD2 4.47Å; L57-Y61 HydrophobicContact CD1-CE2 4.42Å; L57-Y61 HydrophobicContact CD2-CD2 4.04Å; L57-Y61 HydrophobicContact CD2-CE2 3.98Å; P58-Y61 WeakPolarHBondContact O-CB 3.49Å; P58-Y61 PolarHBondContact O-N 3.39Å; D59-Y61 VanDerWaalsContact C-N 3.33Å; Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.59Å; Y61-W95 HydrophobicContact CE2-CH2 3.59Å; Y61-W95 AromaticContact CE2-CZ2 3.45Å; Y61-W95 HydrophobicContact CE2-CZ2 3.45Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.45Å
62	P	96.2	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.026	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.8	8.6	2	37.1	-36.4	0	0	0	114.5	K64 W95 A97	P62-K64 VanDerWaalsContact C-N 3.3Å; P62-K64 PolarHBondContact O-N 2.99Å; P62-W95 HydrophobicContact CB-CZ2 4.22Å; P62-W95 PolarHBondContact O-NE1 3.5Å; P62-A97 HydrophobicContact CB-CB 4.49Å; P62-A97 HydrophobicContact CG-CB 4.18Å; P62-A97 WeakPolarHBondContact CG-O 3.4Å
63	F	95.7	Very high	97.4	Very high	174 Å²	174	49.6 Å²	49.6	76%	0.763	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-25.1	179.2	-60.7	-73.5	0	0	0	113.1	K60 A97	K60-F63 WeakPolarHBondContact O-CA 3.49Å; K60-F63 WeakPolarHBondContact O-CB 3.29Å; K60-F63 PolarHBondContact O-N 3.2Å; F63-A97 HydrophobicContact CD1-CB 4.12Å; F63-A97 HydrophobicContact CE1-CB 4.35Å
64	K	96.6	Very high	97.4	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	24%	0.244	S	C	.	.	S	Bend	trans	-103.1	140.5	162.9	-74.8	-165	169.9	-165.9	0	109.4	P58 K60 P62	P58-K64 HydrophobicContact CB-CB 4.25Å; P58-K64 HydrophobicContact CG-CB 3.52Å; K60-K64 HydrophobicContact CB-CB 4.26Å; K60-K64 HydrophobicContact CB-CD 4.15Å; K60-K64 HydrophobicContact CB-CG 3.94Å; K60-K64 HydrophobicContact CD-CD 4.42Å; K60-K64 PolarHBondContact O-N 3.01Å; P62-K64 VanDerWaalsContact C-N 3.3Å; P62-K64 PolarHBondContact O-N 2.99Å
65	S	97.3	Very high	97.4	Very high	12 Å²	12	45.7 Å²	45.7	8%	0.084	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.3	155.9	176.7	69.5	0	0	0	0	111.8	P58 L88 N92 W95	P58-S65 WeakPolarHBondContact CD-O 3.41Å; P58-S65 WeakPolarHBondContact CG-O 3.27Å; S65-L88 WeakPolarHBondContact OG-CD1 3.43Å; S65-N92 WeakPolarHBondContact CB-OD1 3.18Å; S65-N92 PolarHBondContact OG-OD1 3.43Å; S65-N92 VanDerWaalsContact OG-OD1 3.11Å; S65-W95 VanDerWaalsContact CA-CD1 3.49Å; S65-W95 VanDerWaalsContact CB-CG 3.49Å
66	P	98.2	Very high	97.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61.1	154.3	162.9	26.2	-32.7	0	0	0	111	V55 D56 L57 W95 I104	V55-P66 HydrophobicContact CG1-CB 3.78Å; D56-P66 WeakPolarHBondContact O-CA 3.42Å; L57-P66 HydrophobicContact CD2-CB 3.74Å; P66-W95 HydrophobicContact CG-CE3 4.07Å; P66-W95 HydrophobicContact CG-CH2 4.18Å; P66-W95 HydrophobicContact CG-CZ3 3.85Å; P66-I104 HydrophobicContact CG-CD1 3.63Å
67	S	98.2	Very high	97.4	Very high	55 Å²	55	43.7 Å²	43.7	39%	0.385	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	140.5	157.2	49.6	0	0	0	0	109.4	V55 D56	V55-S67 WeakPolarHBondContact CA-O 3.46Å; D56-S67 WeakPolarHBondContact CB-OG 3.34Å; D56-S67 PolarHBondContact N-O 3.42Å; D56-S67 PolarHBondContact O-N 2.53Å
68	I	98.5	Very high	97.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.6	-175.3	-56.1	168.1	0	0	0	107.9	V53 R54 V86 I91 I104 F108 L109	V53-I68 HydrophobicContact CG1-CG2 3.47Å; V53-I68 VanDerWaalsContact CG1-CG2 3.47Å; R54-I68 WeakPolarHBondContact O-CA 3.29Å; I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.06Å; I68-V86 HydrophobicContact CG2-CG2 3.88Å; I68-V86 PolarHBondContact O-N 3.32Å; I68-I91 HydrophobicContact CB-CD1 4.18Å; I68-I91 HydrophobicContact CD1-CD1 4Å; I68-I91 HydrophobicContact CD1-CG1 4.26Å; I68-I91 HydrophobicContact CG1-CD1 4.08Å; I68-I104 HydrophobicContact CD1-CD1 4.29Å; I68-I104 HydrophobicContact CD1-CG2 3.62Å; I68-I104 HydrophobicContact CG1-CG2 4.5Å; I68-F108 HydrophobicContact CD1-CD1 4.17Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; I68-L109 HydrophobicContact CG2-CD2 4.42Å
69	G	98.4	Very high	97.5	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.3	179.8	0	0	0	0	0	112.7	V53 R54 G84	V53-G69 CarbonylContact C-O 3.23Å; V53-G69 WeakPolarHBondContact CA-O 3.4Å; R54-G69 PolarHBondContact N-O 3.34Å; R54-G69 PolarHBondContact O-N 2.85Å; G69-G84 CarbonylContact C-O 3.51Å; G69-G84 WeakPolarHBondContact CA-O 3.41Å
70	F	98.5	Very high	97.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.5	172.3	-75.7	-102.9	0	0	0	109.6	F38 W51 V53 I74 I79 G84 V86 L109 L113	F38-F70 HydrophobicContact CD1-CE1 4.16Å; F38-F70 HydrophobicContact CD1-CZ 4.46Å; W51-F70 HydrophobicContact CB-CD1 3.62Å; W51-F70 HydrophobicContact CB-CE1 3.85Å; W51-F70 AromaticContact CD1-CD1 3.61Å; W51-F70 HydrophobicContact CD2-CD1 4.31Å; W51-F70 HydrophobicContact CD2-CE1 4.19Å; W51-F70 AromaticContact CG-CD1 3.56Å; W51-F70 HydrophobicContact CG-CD1 3.56Å; W51-F70 AromaticContact CG-CE1 3.82Å; W51-F70 HydrophobicContact CG-CE1 3.82Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.45Å; V53-F70 HydrophobicContact CG2-CZ 4.1Å; F70-I74 HydrophobicContact CB-CG2 3.8Å; F70-I74 HydrophobicContact CD1-CB 4.24Å; F70-I74 HydrophobicContact CD1-CD1 3.95Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.13Å; F70-I74 HydrophobicContact CE1-CD1 3.64Å; F70-I74 HydrophobicContact CG-CB 4.43Å; F70-I74 HydrophobicContact CG-CG2 3.71Å; F70-I74 HydrophobicContact CZ-CD1 4.01Å; F70-I79 HydrophobicContact CD2-CD1 3.78Å; F70-I79 HydrophobicContact CD2-CG2 4.22Å; F70-I79 HydrophobicContact CE2-CD1 3.5Å; F70-I79 VanDerWaalsContact CE2-CD1 3.5Å; F70-I79 HydrophobicContact CZ-CD1 4.12Å; F70-G84 PolarHBondContact N-O 3.48Å; F70-G84 WeakPolarHBondContact O-CA 3.46Å; F70-V86 HydrophobicContact CD2-CG2 3.96Å; F70-V86 HydrophobicContact CE2-CG2 3.77Å; F70-L109 HydrophobicContact CE2-CD2 4.12Å; F70-L109 HydrophobicContact CZ-CD2 4.2Å; F70-L113 HydrophobicContact CZ-CD1 4.39Å
71	M	97.6	Very high	97.7	Very high	106 Å²	106	32.5 Å²	32.5	52%	0.522	16%	0.161	S	C	.	.	S	Bend	trans	-73.4	-37.5	-176.4	-62.8	-170.6	70.4	0	0	112.4	V35 K52 R54	V35-M71 HydrophobicContact CB-SD 4.47Å; V35-M71 HydrophobicContact CG1-SD 4.01Å; V35-M71 HydrophobicContact CG2-SD 3.55Å; V35-M71 VanDerWaalsContact CG2-SD 3.55Å; K52-M71 HydrophobicContact CB-CB 4Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.27Å; K52-M71 WeakPolarHBondContact O-CB 3.41Å; K52-M71 PolarHBondContact O-N 3.07Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.16Å
72	N	97.7	Very high	97.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	19%	0.194	C	C	.	.	S	Bend	trans	-97	151.2	169	63.3	-54.9	0	0	0	110.2	V50 W51 K52 Y148 L154	V50-N72 PolarHBondContact O-ND2 3.47Å; W51-N72 WeakPolarHBondContact CA-OD1 3.22Å; W51-N72 WeakPolarHBondContact CB-OD1 3.44Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; K52-N72 PolarHBondContact N-OD1 3.28Å; N72-Y148 WeakPolarHBondContact CB-O 3.47Å; N72-Y148 PolarHBondContact ND2-O 3.25Å; N72-L154 HydrophobicContact CB-CD2 3.94Å
73	K	98	Very high	97.7	Very high	76 Å²	76	39.4 Å²	39.4	33%	0.33	22%	0.215	S	C	.	.			trans	-61.2	141.5	-168.7	-70.5	-174.4	171.7	-68.2	0	113	W51 E81 Y144 Y148	W51-K73 PolarHBondContact NE1-O 2.87Å; W51-K73 VanDerWaalsContact NE1-O 3.12Å; K73-E81 PolarHBondContact NZ-O 2.56Å; K73-E81 VanDerWaalsContact NZ-O 3.1Å; K73-Y144 HydrophobicContact CB-CD1 4.48Å; K73-Y148 HydrophobicContact CB-CD1 4.35Å; K73-Y148 HydrophobicContact CB-CD2 3.78Å; K73-Y148 HydrophobicContact CB-CE2 4.3Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.28Å; K73-Y148 HydrophobicContact CD-CD2 4.29Å; K73-Y148 HydrophobicContact CD-CE1 3.98Å; K73-Y148 HydrophobicContact CD-CE2 4Å; K73-Y148 HydrophobicContact CD-CG 4.42Å; K73-Y148 HydrophobicContact CG-CG 4.45Å
74	I	98.5	Very high	97.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	18%	0.181	C	C	.	.			trans	-136.5	143.7	172.2	-171.5	166.8	0	0	0	109.3	Y46 W51 F70 H76 I79 L113	Y46-I74 HydrophobicContact CD1-CD1 4.13Å; Y46-I74 HydrophobicContact CD1-CG1 4.33Å; Y46-I74 HydrophobicContact CE1-CD1 3.99Å; Y46-I74 HydrophobicContact CE1-CG1 3.91Å; W51-I74 HydrophobicContact CD2-CD1 4.39Å; W51-I74 HydrophobicContact CZ2-CD1 4.04Å; W51-I74 HydrophobicContact CZ2-CG1 4.1Å; F70-I74 HydrophobicContact CB-CG2 3.8Å; F70-I74 HydrophobicContact CD1-CB 4.24Å; F70-I74 HydrophobicContact CD1-CD1 3.95Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.13Å; F70-I74 HydrophobicContact CE1-CD1 3.64Å; F70-I74 HydrophobicContact CG-CB 4.43Å; F70-I74 HydrophobicContact CG-CG2 3.71Å; F70-I74 HydrophobicContact CZ-CD1 4.01Å; I74-H76 HydrophobicContact CG1-CB 4.47Å; I74-I79 HydrophobicContact CD1-CD1 4.07Å; I74-I79 HydrophobicContact CG2-CB 4.19Å; I74-I79 HydrophobicContact CG2-CD1 3.82Å; I74-I79 HydrophobicContact CG2-CG2 3.67Å; I74-L113 HydrophobicContact CD1-CD1 4.46Å; I74-L113 HydrophobicContact CD1-CD2 4.34Å; I74-L113 HydrophobicContact CD1-CG 4.5Å
75	F	98.4	Very high	97.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.013	18%	0.175	C	C	.	.			trans	-104.2	105.7	175.3	-168.5	-109.4	0	0	0	109.2	Y46 D125 A126 M129 Y137 K140 I141 Y144	Y46-F75 WeakPolarHBondContact CE1-O 3.16Å; Y46-F75 PolarHBondContact OH-O 3.49Å; F75-D125 HydrophobicContact CE2-CB 4.43Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; F75-A126 HydrophobicContact CD1-CB 3.99Å; F75-A126 HydrophobicContact CD2-CB 4.25Å; F75-A126 HydrophobicContact CE1-CB 3.64Å; F75-A126 HydrophobicContact CE2-CB 3.9Å; F75-A126 HydrophobicContact CG-CB 4.29Å; F75-A126 HydrophobicContact CZ-CB 3.6Å; F75-M129 HydrophobicContact CE1-SD 3.85Å; F75-M129 HydrophobicContact CZ-CE 4.44Å; F75-M129 HydrophobicContact CZ-SD 3.86Å; F75-Y137 HydrophobicContact CD1-CD2 4.24Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.97Å; F75-Y137 HydrophobicContact CE1-CD2 3.97Å; F75-Y137 HydrophobicContact CE1-CE2 4.2Å; F75-K140 HydrophobicContact CD1-CB 4.25Å; F75-K140 HydrophobicContact CD1-CG 3.75Å; F75-K140 HydrophobicContact CD2-CG 4.41Å; F75-K140 HydrophobicContact CE1-CB 4.18Å; F75-K140 HydrophobicContact CE1-CG 3.69Å; F75-K140 HydrophobicContact CE2-CG 4.37Å; F75-K140 HydrophobicContact CG-CG 4.11Å; F75-K140 HydrophobicContact CZ-CG 4.01Å; F75-I141 HydrophobicContact CB-CG1 4.34Å; F75-I141 HydrophobicContact CD1-CG1 4.15Å; F75-Y144 HydrophobicContact CB-CD1 3.7Å; F75-Y144 HydrophobicContact CB-CE1 3.92Å; F75-Y144 HydrophobicContact CB-CG 4.04Å; F75-Y144 HydrophobicContact CD2-CE1 4.16Å; F75-Y144 HydrophobicContact CG-CE1 4.46Å
76	H	98.4	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.172	C	C	.	.			trans	-155.1	138.1	-175.5	-175.7	-81.6	0	0	0	111.3	Y46 I74 N78 I79 L112 N123	Y46-H76 AromaticContact CZ-CD2 3.77Å; Y46-H76 PolarHBondContact OH-CD2 3.36Å; I74-H76 HydrophobicContact CG1-CB 4.47Å; H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 3.35Å; H76-N78 PolarHBondContact ND1-N 3.45Å; H76-N78 PolarHBondContact O-N 3.34Å; H76-I79 HydrophobicContact CB-CB 4.08Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.88Å; H76-I79 PolarHBondContact O-N 2.87Å; H76-I79 VanDerWaalsContact O-N 3.13Å; H76-I79 VanDerWaalsContact O-O 3.09Å; H76-L112 PolarHBondContact NE2-O 2.88Å; H76-N123 WeakPolarHBondContact O-CB 3.37Å
77	P	98	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-40.6	-177.6	-30.7	37	0	0	0	115.2	P116 P121 L122 N123 A126 A127 Y137	P77-P116 HydrophobicContact CB-CB 4.06Å; P77-P116 HydrophobicContact CG-CB 3.65Å; P77-P116 HydrophobicContact CG-CG 4.17Å; P77-P121 HydrophobicContact CB-CB 4.29Å; P77-P121 CarbonylContact O-C 3.53Å; P77-P121 WeakPolarHBondContact O-CA 3.31Å; P77-P121 WeakPolarHBondContact O-CB 3.33Å; P77-L122 PolarHBondContact O-N 3.03Å; P77-N123 PolarHBondContact O-N 3.27Å; P77-A126 HydrophobicContact CG-CB 4.16Å; P77-A127 HydrophobicContact CB-CB 4.08Å; P77-A127 HydrophobicContact CG-CB 4.44Å; P77-Y137 VanDerWaalsContact CD-OH 3.25Å; P77-Y137 WeakPolarHBondContact CD-OH 3.22Å; P77-Y137 HydrophobicContact CG-CE2 4.5Å
78	N	98.1	Very high	97.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	15.9	-177.5	-49.9	108.1	0	0	0	114.8	H76 C87 V90 L112 N117	H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 3.35Å; H76-N78 PolarHBondContact ND1-N 3.45Å; H76-N78 PolarHBondContact O-N 3.34Å; N78-C87 HydrophobicContact CB-CB 4.39Å; N78-C87 PolarHBondContact O-N 3.23Å; N78-V90 HydrophobicContact CB-CG2 4.23Å; N78-L112 HydrophobicContact CB-CD1 4.18Å; N78-N117 PolarHBondContact ND2-O 2.88Å; N78-N117 PolarHBondContact OD1-N 2.84Å; N78-N117 PolarHBondContact OD1-O 3.24Å
79	I	98.3	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-127.2	126.1	178.5	-52.7	177	0	0	0	108.2	F70 I74 H76 E81 G84 T85 V86	F70-I79 HydrophobicContact CD2-CD1 3.78Å; F70-I79 HydrophobicContact CD2-CG2 4.22Å; F70-I79 HydrophobicContact CE2-CD1 3.5Å; F70-I79 VanDerWaalsContact CE2-CD1 3.5Å; F70-I79 HydrophobicContact CZ-CD1 4.12Å; I74-I79 HydrophobicContact CD1-CD1 4.07Å; I74-I79 HydrophobicContact CG2-CB 4.19Å; I74-I79 HydrophobicContact CG2-CD1 3.82Å; I74-I79 HydrophobicContact CG2-CG2 3.67Å; H76-I79 HydrophobicContact CB-CB 4.08Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.88Å; H76-I79 PolarHBondContact O-N 2.87Å; H76-I79 VanDerWaalsContact O-N 3.13Å; H76-I79 VanDerWaalsContact O-O 3.09Å; I79-E81 PolarHBondContact O-N 2.92Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.4Å; I79-T85 WeakPolarHBondContact CA-O 3.31Å; I79-V86 HydrophobicContact CD1-CG2 4.35Å; I79-V86 HydrophobicContact CG1-CG2 4.17Å
80	D	98	Very high	97.1	Very high	53 Å²	53	35.8 Å²	35.8	28%	0.283	21%	0.205	S	C	.	.			trans	-66.5	125.8	175.3	173.2	57.6	0	0	0	110.2	A82 S83 G84 T85 L122	D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 2.79Å; D80-A82 PolarHBondContact OD2-N 3.05Å; D80-S83 VanDerWaalsContact OD2-CB 3.22Å; D80-S83 WeakPolarHBondContact OD2-CB 3.41Å; D80-S83 PolarHBondContact OD2-N 2.89Å; D80-S83 PolarHBondContact OD2-OG 2.85Å; D80-G84 WeakPolarHBondContact O-CA 3.1Å; D80-G84 PolarHBondContact O-N 2.98Å; D80-T85 PolarHBondContact N-O 3.37Å; D80-L122 HydrophobicContact CB-CB 4.37Å; D80-L122 HydrophobicContact CB-CD1 4.24Å
81	E	97.2	Very high	97	Very high	52 Å²	52	35.8 Å²	35.8	24%	0.243	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-26	-172.4	-173.9	175.9	158.3	0	0	113.3	K73 I79 N123 Y144	K73-E81 PolarHBondContact NZ-O 2.56Å; K73-E81 VanDerWaalsContact NZ-O 3.1Å; I79-E81 PolarHBondContact O-N 2.92Å; E81-N123 PolarHBondContact OE2-ND2 3.31Å; E81-Y144 HydrophobicContact CG-CE1 4.35Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.39Å; E81-Y144 PolarHBondContact OE1-OH 2.92Å
82	A	95.9	Very high	96.8	Very high	85 Å²	85	34.4 Å²	34.4	70%	0.702	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-49.8	-178.6	0	0	0	0	0	111.4	D80	D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 2.79Å; D80-A82 PolarHBondContact OD2-N 3.05Å
83	S	96.9	Very high	96.6	Very high	66 Å²	66	40.8 Å²	40.8	46%	0.462	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-19.2	-177	66.6	0	0	0	0	114.5	D80 T85	D80-S83 VanDerWaalsContact OD2-CB 3.22Å; D80-S83 WeakPolarHBondContact OD2-CB 3.41Å; D80-S83 PolarHBondContact OD2-N 2.89Å; D80-S83 PolarHBondContact OD2-OG 2.85Å; S83-T85 PolarHBondContact O-N 3.5Å; S83-T85 WeakPolarHBondContact OG-CB 3.24Å; S83-T85 PolarHBondContact OG-N 3.13Å; S83-T85 PolarHBondContact OG-OG1 3.1Å
84	G	97.8	Very high	96.4	Very high	5 Å²	5	40 Å²	40	5%	0.052	23%	0.232	C	C	.	.			trans	75.8	5.9	-172	0	0	0	0	0	114.3	G69 F70 I79 D80 V86	G69-G84 CarbonylContact C-O 3.51Å; G69-G84 WeakPolarHBondContact CA-O 3.41Å; F70-G84 PolarHBondContact N-O 3.48Å; F70-G84 WeakPolarHBondContact O-CA 3.46Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.4Å; D80-G84 WeakPolarHBondContact O-CA 3.1Å; D80-G84 PolarHBondContact O-N 2.98Å; G84-V86 PolarHBondContact O-N 2.9Å
85	T	97.9	Very high	96.4	Very high	65 Å²	65	41.1 Å²	41.1	40%	0.399	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-68.9	127.5	-174.8	-55.3	0	0	0	0	111.3	I79 D80 S83	I79-T85 WeakPolarHBondContact CA-O 3.31Å; D80-T85 PolarHBondContact N-O 3.37Å; S83-T85 PolarHBondContact O-N 3.5Å; S83-T85 WeakPolarHBondContact OG-CB 3.24Å; S83-T85 PolarHBondContact OG-N 3.13Å; S83-T85 PolarHBondContact OG-OG1 3.1Å
86	V	97.9	Very high	96.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-76.1	135.3	171.5	-178.4	0	0	0	0	109.3	I68 F70 I79 G84 L88 I91 F108 L112	I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.06Å; I68-V86 HydrophobicContact CG2-CG2 3.88Å; I68-V86 PolarHBondContact O-N 3.32Å; F70-V86 HydrophobicContact CD2-CG2 3.96Å; F70-V86 HydrophobicContact CE2-CG2 3.77Å; I79-V86 HydrophobicContact CD1-CG2 4.35Å; I79-V86 HydrophobicContact CG1-CG2 4.17Å; G84-V86 PolarHBondContact O-N 2.9Å; V86-L88 PolarHBondContact O-N 3.22Å; V86-L88 VanDerWaalsContact O-N 3.16Å; V86-I91 HydrophobicContact CB-CD1 4.17Å; V86-I91 HydrophobicContact CG1-CD1 4.15Å; V86-I91 HydrophobicContact CG1-CG1 3.98Å; V86-F108 HydrophobicContact CG1-CE1 4.34Å; V86-F108 HydrophobicContact CG1-CZ 4.33Å; V86-L112 HydrophobicContact CG1-CD2 3.76Å
87	C	95.8	Very high	96.1	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.122	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-52.9	120.9	179.7	-178	0	0	0	0	112.3	N78 D89 V90 I91 L122	N78-C87 HydrophobicContact CB-CB 4.39Å; N78-C87 PolarHBondContact O-N 3.23Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.43Å; C87-V90 HydrophobicContact CB-CB 4.17Å; C87-V90 HydrophobicContact CB-CG2 3.86Å; C87-V90 WeakPolarHBondContact O-CB 3.33Å; C87-V90 PolarHBondContact O-N 3.44Å; C87-V90 VanDerWaalsContact O-N 3.13Å; C87-I91 PolarHBondContact O-N 3.3Å; C87-I91 VanDerWaalsContact O-N 3.13Å; C87-L122 HydrophobicContact CB-CD1 3.69Å; C87-L122 HydrophobicContact CB-CG 4Å
88	L	94	Very high	96	Very high	90 Å²	90	53.3 Å²	53.3	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-34.2	-176.6	-174.9	61.7	0	0	0	112.3	S65 V86 V90 I91 N92	S65-L88 WeakPolarHBondContact OG-CD1 3.43Å; V86-L88 PolarHBondContact O-N 3.22Å; V86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.05Å; L88-I91 PolarHBondContact O-N 3.16Å; L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 VanDerWaalsContact O-CG 3.32Å; L88-N92 PolarHBondContact O-N 3.13Å; L88-N92 PolarHBondContact O-ND2 2.95Å
89	D	93.7	Very high	95.8	Very high	108 Å²	108	54.9 Å²	54.9	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-67.2	-35.9	177.4	-67.5	-25.7	0	0	0	111.7	C87 N92 Q93	C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.43Å; D89-N92 PolarHBondContact O-N 3.1Å; D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.44Å; D89-Q93 PolarHBondContact O-N 2.78Å; D89-Q93 VanDerWaalsContact O-N 3.1Å
90	V	93.1	Very high	95.6	Very high	12 Å²	12	56.6 Å²	56.6	7%	0.073	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-41.1	173.9	176.3	0	0	0	0	111	N78 C87 L88 Q93 F108 L112	N78-V90 HydrophobicContact CB-CG2 4.23Å; C87-V90 HydrophobicContact CB-CB 4.17Å; C87-V90 HydrophobicContact CB-CG2 3.86Å; C87-V90 WeakPolarHBondContact O-CB 3.33Å; C87-V90 PolarHBondContact O-N 3.44Å; C87-V90 VanDerWaalsContact O-N 3.13Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.05Å; V90-Q93 PolarHBondContact O-N 3.27Å; V90-F108 HydrophobicContact CG1-CE2 4.15Å; V90-F108 HydrophobicContact CG1-CZ 4.18Å; V90-L112 HydrophobicContact CG1-CD1 3.74Å; V90-L112 HydrophobicContact CG1-CD2 4.46Å
91	I	94.9	Very high	95.5	Very high	5 Å²	5	54 Å²	54	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-47.8	174	-61.7	170.3	0	0	0	110.1	I68 V86 C87 L88 Q93 T94 W95 F108	I68-I91 HydrophobicContact CB-CD1 4.18Å; I68-I91 HydrophobicContact CD1-CD1 4Å; I68-I91 HydrophobicContact CD1-CG1 4.26Å; I68-I91 HydrophobicContact CG1-CD1 4.08Å; V86-I91 HydrophobicContact CB-CD1 4.17Å; V86-I91 HydrophobicContact CG1-CD1 4.15Å; V86-I91 HydrophobicContact CG1-CG1 3.98Å; C87-I91 PolarHBondContact O-N 3.3Å; C87-I91 VanDerWaalsContact O-N 3.13Å; L88-I91 PolarHBondContact O-N 3.16Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 2.91Å; I91-T94 PolarHBondContact O-N 2.81Å; I91-W95 HydrophobicContact CG2-CB 4.41Å; I91-W95 WeakPolarHBondContact O-CB 3.48Å; I91-W95 PolarHBondContact O-N 2.87Å; I91-F108 HydrophobicContact CB-CZ 4.32Å; I91-F108 HydrophobicContact CG1-CE1 4.03Å; I91-F108 HydrophobicContact CG1-CZ 3.74Å
92	N	94.7	Very high	95.4	Very high	77 Å²	77	52 Å²	52	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-21.8	-176.8	-76.5	-33.1	0	0	0	114.2	S65 L88 D89 T94	S65-N92 WeakPolarHBondContact CB-OD1 3.18Å; S65-N92 PolarHBondContact OG-OD1 3.43Å; S65-N92 VanDerWaalsContact OG-OD1 3.11Å; L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 VanDerWaalsContact O-CG 3.32Å; L88-N92 PolarHBondContact O-N 3.13Å; L88-N92 PolarHBondContact O-ND2 2.95Å; D89-N92 PolarHBondContact O-N 3.1Å; N92-T94 PolarHBondContact O-N 3.12Å
93	Q	93.8	Very high	95.5	Very high	136 Å²	136	50.7 Å²	50.7	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-66.9	-27.3	172.2	-74.2	166.9	24.5	0	0	112.6	D89 V90 I91	D89-Q93 VanDerWaalsContact O-CG 3.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.44Å; D89-Q93 PolarHBondContact O-N 2.78Å; D89-Q93 VanDerWaalsContact O-N 3.1Å; V90-Q93 PolarHBondContact O-N 3.27Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 2.91Å
94	T	93.7	Very high	95.5	Very high	59 Å²	59	47.7 Å²	47.7	36%	0.362	26%	0.26	S	S	.	.	H	α-helix	trans	-104.8	-31.9	-178	-58.5	0	0	0	0	112.3	I91 N92 Y99 F108	I91-T94 PolarHBondContact O-N 2.81Å; N92-T94 PolarHBondContact O-N 3.12Å; T94-Y99 HydrophobicContact CG2-CD2 4.29Å; T94-Y99 HydrophobicContact CG2-CE2 3.49Å; T94-Y99 VanDerWaalsContact CG2-CE2 3.49Å; T94-Y99 WeakPolarHBondContact O-CD2 3.32Å; T94-F108 HydrophobicContact CG2-CD2 4.05Å
95	W	97.2	Very high	95.5	Very high	26 Å²	26	47.8 Å²	47.8	10%	0.098	26%	0.259	C	S	.	.			trans	-68.8	135.9	-173.5	-172.6	-97.7	0	0	0	113.1	Y61 P62 S65 P66 I91 Y99 I104	Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.59Å; Y61-W95 HydrophobicContact CE2-CH2 3.59Å; Y61-W95 AromaticContact CE2-CZ2 3.45Å; Y61-W95 HydrophobicContact CE2-CZ2 3.45Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.45Å; P62-W95 HydrophobicContact CB-CZ2 4.22Å; P62-W95 PolarHBondContact O-NE1 3.5Å; S65-W95 VanDerWaalsContact CA-CD1 3.49Å; S65-W95 VanDerWaalsContact CB-CG 3.49Å; P66-W95 HydrophobicContact CG-CE3 4.07Å; P66-W95 HydrophobicContact CG-CH2 4.18Å; P66-W95 HydrophobicContact CG-CZ3 3.85Å; I91-W95 HydrophobicContact CG2-CB 4.41Å; I91-W95 WeakPolarHBondContact O-CB 3.48Å; I91-W95 PolarHBondContact O-N 2.87Å; W95-Y99 AromaticContact CE3-CD1 3.78Å; W95-Y99 HydrophobicContact CE3-CD1 3.78Å; W95-Y99 HydrophobicContact CE3-CG 4.09Å; W95-Y99 AromaticContact CZ3-CD1 3.7Å; W95-Y99 HydrophobicContact CZ3-CD1 3.7Å; W95-Y99 HydrophobicContact CZ3-CG 4.27Å; W95-I104 HydrophobicContact CZ3-CD1 4.08Å; W95-I104 HydrophobicContact CZ3-CG1 4.41Å
96	T	96.4	Very high	95.4	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.472	26%	0.26	S	S	.	.			trans	-137.6	161.7	168.1	71.8	0	0	0	0	109.2	L98 Y99	T96-L98 PolarHBondContact O-N 3.3Å; T96-L98 PolarHBondContact OG1-N 2.88Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 2.83Å; T96-Y99 PolarHBondContact OG1-N 3.05Å
97	A	95.3	Very high	95.4	Very high	32 Å²	32	51.3 Å²	51.3	26%	0.264	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.4	178.8	0	0	0	0	0	114.6	R10 P62 F63	R10-A97 PolarHBondContact NH1-O 3.15Å; R10-A97 PolarHBondContact NH2-O 3.16Å; P62-A97 HydrophobicContact CB-CB 4.49Å; P62-A97 HydrophobicContact CG-CB 4.18Å; P62-A97 WeakPolarHBondContact CG-O 3.4Å; F63-A97 HydrophobicContact CD1-CB 4.12Å; F63-A97 HydrophobicContact CE1-CB 4.35Å
98	L	95	Very high	95.5	Very high	150 Å²	150	51.2 Å²	51.2	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.5	175.6	-62	177.8	0	0	0	112.6	T96 D100	T96-L98 PolarHBondContact O-N 3.3Å; T96-L98 PolarHBondContact OG1-N 2.88Å; L98-D100 PolarHBondContact O-N 3.24Å
99	Y	95.2	Very high	95.7	Very high	35 Å²	35	46.9 Å²	46.9	14%	0.137	25%	0.252	C	S	.	.			trans	-66.4	132	179	-160.4	-88.3	0	0	0	109.9	T94 W95 T96 N103 I104	T94-Y99 HydrophobicContact CG2-CD2 4.29Å; T94-Y99 HydrophobicContact CG2-CE2 3.49Å; T94-Y99 VanDerWaalsContact CG2-CE2 3.49Å; T94-Y99 WeakPolarHBondContact O-CD2 3.32Å; W95-Y99 AromaticContact CE3-CD1 3.78Å; W95-Y99 HydrophobicContact CE3-CD1 3.78Å; W95-Y99 HydrophobicContact CE3-CG 4.09Å; W95-Y99 AromaticContact CZ3-CD1 3.7Å; W95-Y99 HydrophobicContact CZ3-CD1 3.7Å; W95-Y99 HydrophobicContact CZ3-CG 4.27Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 2.83Å; T96-Y99 PolarHBondContact OG1-N 3.05Å; Y99-N103 HydrophobicContact CD1-CB 4.33Å; Y99-N103 HydrophobicContact CE1-CB 3.53Å; Y99-N103 PolarHBondContact OH-O 3.25Å; Y99-I104 HydrophobicContact CE1-CG1 4.32Å
100	D	93.4	Very high	95.9	Very high	35 Å²	35	43 Å²	43	19%	0.187	23%	0.233	C	C	.	.			trans	-77.1	132.6	179.9	-166.4	-17.7	0	0	0	110.1	K17 L98 T102 N103	K17-D100 IonicContact NZ-OD1 3.05Å; K17-D100 IonicContact NZ-OD2 3.76Å; K17-D100 PolarHBondContact NZ-OD2 2.85Å; L98-D100 PolarHBondContact O-N 3.24Å; D100-T102 PolarHBondContact O-N 3.11Å; D100-T102 PolarHBondContact OD1-N 3.1Å; D100-T102 VanDerWaalsContact OD1-N 3.16Å; D100-N103 HydrophobicContact CB-CB 4.3Å; D100-N103 WeakPolarHBondContact O-CB 3.43Å; D100-N103 PolarHBondContact O-N 2.82Å
101	L	94.9	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.1	179.4	-165	68.4	0	0	0	111.5	D14 V15 L18 F34 L57 N103 I104	D14-L101 HydrophobicContact CB-CB 4.24Å; D14-L101 HydrophobicContact CB-CD2 4.39Å; V15-L101 HydrophobicContact CG2-CD2 3.81Å; L18-L101 HydrophobicContact CB-CD2 4.39Å; L18-L101 HydrophobicContact CD2-CD2 3.94Å; L18-L101 HydrophobicContact CD2-CG 4.16Å; F34-L101 HydrophobicContact CE1-CD2 4.23Å; F34-L101 HydrophobicContact CZ-CD1 4.33Å; F34-L101 HydrophobicContact CZ-CD2 3.7Å; F34-L101 HydrophobicContact CZ-CG 4.25Å; L57-L101 HydrophobicContact CD2-CD1 3.99Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 3.45Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 HydrophobicContact CG-CD1 4.48Å; L101-I104 VanDerWaalsContact O-CB 3.31Å; L101-I104 WeakPolarHBondContact O-CB 3.35Å; L101-I104 WeakPolarHBondContact O-CG1 3.34Å; L101-I104 PolarHBondContact O-N 2.8Å; L101-I104 VanDerWaalsContact O-N 3.15Å
102	T	96.4	Very high	96.1	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-32.7	174.5	-55.8	0	0	0	0	112.3	D100 I104 F105 E106	D100-T102 PolarHBondContact O-N 3.11Å; D100-T102 PolarHBondContact OD1-N 3.1Å; D100-T102 VanDerWaalsContact OD1-N 3.16Å; T102-I104 PolarHBondContact O-N 3.36Å; T102-I104 VanDerWaalsContact O-N 3.16Å; T102-F105 PolarHBondContact O-N 3.32Å; T102-F105 VanDerWaalsContact O-N 3.11Å; T102-E106 HydrophobicContact CG2-CG 3.97Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.09Å
103	N	96.8	Very high	96.3	Very high	57 Å²	57	44.3 Å²	44.3	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-69.9	-10.4	178.8	-71.2	-17.1	0	0	0	113.2	Y99 D100 L101 F105 S107 F108	Y99-N103 HydrophobicContact CD1-CB 4.33Å; Y99-N103 HydrophobicContact CE1-CB 3.53Å; Y99-N103 PolarHBondContact OH-O 3.25Å; D100-N103 HydrophobicContact CB-CB 4.3Å; D100-N103 WeakPolarHBondContact O-CB 3.43Å; D100-N103 PolarHBondContact O-N 2.82Å; L101-N103 VanDerWaalsContact C-N 3.26Å; L101-N103 PolarHBondContact O-N 3.45Å; N103-F105 VanDerWaalsContact C-N 3.31Å; N103-S107 WeakPolarHBondContact O-CB 3.2Å; N103-S107 PolarHBondContact O-N 3.39Å; N103-F108 PolarHBondContact O-N 2.73Å
104	I	97.5	Very high	96.4	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	22%	0.218	C	C	.	.	I	π-helix	trans	-60.8	-47.1	168.7	-66.2	177.2	0	0	0	109.7	P66 I68 W95 Y99 L101 T102 F108 L109	P66-I104 HydrophobicContact CG-CD1 3.63Å; I68-I104 HydrophobicContact CD1-CD1 4.29Å; I68-I104 HydrophobicContact CD1-CG2 3.62Å; I68-I104 HydrophobicContact CG1-CG2 4.5Å; W95-I104 HydrophobicContact CZ3-CD1 4.08Å; W95-I104 HydrophobicContact CZ3-CG1 4.41Å; Y99-I104 HydrophobicContact CE1-CG1 4.32Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 HydrophobicContact CG-CD1 4.48Å; L101-I104 VanDerWaalsContact O-CB 3.31Å; L101-I104 WeakPolarHBondContact O-CB 3.35Å; L101-I104 WeakPolarHBondContact O-CG1 3.34Å; L101-I104 PolarHBondContact O-N 2.8Å; L101-I104 VanDerWaalsContact O-N 3.15Å; T102-I104 PolarHBondContact O-N 3.36Å; T102-I104 VanDerWaalsContact O-N 3.16Å; I104-F108 HydrophobicContact CG2-CD1 4.39Å; I104-L109 HydrophobicContact CG2-CD1 4.07Å; I104-L109 HydrophobicContact CG2-CG 4.16Å; I104-L109 WeakPolarHBondContact O-CB 3.09Å; I104-L109 WeakPolarHBondContact O-CG 3.36Å; I104-L109 PolarHBondContact O-N 2.95Å
105	F	97.9	Very high	96.5	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	23%	0.232	C	C	.	.	I	π-helix	trans	-88.3	-28	-175.7	-57.2	-75.4	0	0	0	112.9	L18 V36 F38 V53 V55 T102 N103 L109 P110	L18-F105 HydrophobicContact CD1-CD2 3.96Å; L18-F105 HydrophobicContact CD1-CE2 4.19Å; L18-F105 HydrophobicContact CD2-CE2 4Å; V36-F105 HydrophobicContact CB-CD1 4.19Å; V36-F105 HydrophobicContact CB-CE1 3.54Å; V36-F105 HydrophobicContact CB-CE2 4.03Å; V36-F105 HydrophobicContact CB-CZ 3.44Å; V36-F105 VanDerWaalsContact CB-CZ 3.44Å; V36-F105 HydrophobicContact CG1-CD1 3.95Å; V36-F105 HydrophobicContact CG1-CD2 4.27Å; V36-F105 HydrophobicContact CG1-CE1 3.83Å; V36-F105 HydrophobicContact CG1-CE2 4.15Å; V36-F105 HydrophobicContact CG1-CG 4.17Å; V36-F105 HydrophobicContact CG1-CZ 3.92Å; V36-F105 HydrophobicContact CG2-CD2 4.47Å; V36-F105 HydrophobicContact CG2-CE1 4.01Å; V36-F105 HydrophobicContact CG2-CE2 3.62Å; V36-F105 HydrophobicContact CG2-CZ 3.33Å; F38-F105 HydrophobicContact CD2-CD1 4.12Å; V53-F105 HydrophobicContact CB-CE1 4Å; V53-F105 HydrophobicContact CG1-CE1 3.91Å; V55-F105 HydrophobicContact CG2-CE2 4.47Å; V55-F105 HydrophobicContact CG2-CZ 3.71Å; T102-F105 PolarHBondContact O-N 3.32Å; T102-F105 VanDerWaalsContact O-N 3.11Å; N103-F105 VanDerWaalsContact C-N 3.31Å; F105-L109 HydrophobicContact CD1-CD1 3.84Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; F105-P110 WeakPolarHBondContact O-CD 3.46Å; F105-P110 VanDerWaalsContact O-CG 3.29Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å
106	E	96.6	Very high	96.3	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	23%	0.23	S	C	.	.	I	π-helix	trans	-88.7	-24.2	-179.4	-62	-163.6	152.6	0	0	114.2	K22 H23 T102	K22-E106 WeakPolarHBondContact CE-OE1 3.16Å; K22-E106 IonicContact NZ-OE1 3.71Å; K22-E106 PolarHBondContact NZ-OE1 3Å; H23-E106 VanDerWaalsContact NE2-CG 3.34Å; H23-E106 WeakPolarHBondContact NE2-CG 3.44Å; H23-E106 IonicContact NE2-OE1 2.73Å; T102-E106 HydrophobicContact CG2-CG 3.97Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.09Å
107	S	96.8	Very high	95.9	Very high	55 Å²	55	42 Å²	42	39%	0.385	22%	0.218	S	C	.	.	I	π-helix	trans	-131	-59.9	-173.9	-172.6	0	0	0	0	112.7	N103 P110 Q111	N103-S107 WeakPolarHBondContact O-CB 3.2Å; N103-S107 PolarHBondContact O-N 3.39Å; S107-P110 WeakPolarHBondContact O-CD 3.41Å; S107-Q111 VanDerWaalsContact O-CB 3.32Å; S107-Q111 WeakPolarHBondContact O-CB 3.46Å; S107-Q111 WeakPolarHBondContact O-CG 3.21Å; S107-Q111 PolarHBondContact O-N 3.24Å
108	F	97.7	Very high	95.2	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.066	22%	0.22	C	C	.	.	I	π-helix	trans	-61.6	-56.5	-170.9	171.3	-105.4	0	0	0	112.8	I68 V86 V90 I91 T94 N103 I104 Q111 L112	I68-F108 HydrophobicContact CD1-CD1 4.17Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; V86-F108 HydrophobicContact CG1-CE1 4.34Å; V86-F108 HydrophobicContact CG1-CZ 4.33Å; V90-F108 HydrophobicContact CG1-CE2 4.15Å; V90-F108 HydrophobicContact CG1-CZ 4.18Å; I91-F108 HydrophobicContact CB-CZ 4.32Å; I91-F108 HydrophobicContact CG1-CE1 4.03Å; I91-F108 HydrophobicContact CG1-CZ 3.74Å; T94-F108 HydrophobicContact CG2-CD2 4.05Å; N103-F108 PolarHBondContact O-N 2.73Å; I104-F108 HydrophobicContact CG2-CD1 4.39Å; F108-Q111 PolarHBondContact O-N 3.1Å; F108-L112 HydrophobicContact CE1-CD2 4.3Å; F108-L112 HydrophobicContact CZ-CD2 4.11Å; F108-L112 WeakPolarHBondContact O-CB 3.34Å; F108-L112 PolarHBondContact O-N 3.42Å
109	L	98.1	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-45.7	-179.3	-69	175.5	0	0	0	112.4	F38 V53 I68 F70 I104 F105 Q111 L112 L113	F38-L109 HydrophobicContact CD2-CD1 4.35Å; F38-L109 HydrophobicContact CE1-CB 4.27Å; F38-L109 HydrophobicContact CE2-CB 3.88Å; F38-L109 HydrophobicContact CE2-CD1 4.39Å; F38-L109 HydrophobicContact CG-CD1 4.5Å; F38-L109 HydrophobicContact CZ-CB 3.67Å; V53-L109 HydrophobicContact CG1-CD1 4.16Å; V53-L109 HydrophobicContact CG2-CD1 4.5Å; I68-L109 HydrophobicContact CG2-CD2 4.42Å; F70-L109 HydrophobicContact CE2-CD2 4.12Å; F70-L109 HydrophobicContact CZ-CD2 4.2Å; I104-L109 HydrophobicContact CG2-CD1 4.07Å; I104-L109 HydrophobicContact CG2-CG 4.16Å; I104-L109 WeakPolarHBondContact O-CB 3.09Å; I104-L109 WeakPolarHBondContact O-CG 3.36Å; I104-L109 PolarHBondContact O-N 2.95Å; F105-L109 HydrophobicContact CD1-CD1 3.84Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.81Å; L109-L112 PolarHBondContact O-N 3.11Å; L109-L113 WeakPolarHBondContact O-CD1 3.45Å; L109-L113 PolarHBondContact O-N 3.01Å
110	P	97.9	Very high	94.2	Very high	26 Å²	26	46.8 Å²	46.8	17%	0.169	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-42.8	173.5	-30	37.2	0	0	0	114	F38 P41 F105 S107 A114	F38-P110 HydrophobicContact CE2-CG 4.16Å; F38-P110 HydrophobicContact CZ-CG 4.31Å; P41-P110 HydrophobicContact CB-CB 4.17Å; P41-P110 HydrophobicContact CG-CB 4.49Å; F105-P110 WeakPolarHBondContact O-CD 3.46Å; F105-P110 VanDerWaalsContact O-CG 3.29Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å; S107-P110 WeakPolarHBondContact O-CD 3.41Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 2.88Å; P110-A114 VanDerWaalsContact O-N 3.1Å
111	Q	97	Very high	94.2	Very high	109 Å²	109	47 Å²	47	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-69.5	-41.4	178.2	-71.7	-62.7	-57.3	0	0	112.1	S107 F108 L109 L113 A114 Y115	S107-Q111 VanDerWaalsContact O-CB 3.32Å; S107-Q111 WeakPolarHBondContact O-CB 3.46Å; S107-Q111 WeakPolarHBondContact O-CG 3.21Å; S107-Q111 PolarHBondContact O-N 3.24Å; F108-Q111 PolarHBondContact O-N 3.1Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.81Å; Q111-L113 PolarHBondContact O-N 2.77Å; Q111-A114 PolarHBondContact O-N 2.82Å; Q111-Y115 PolarHBondContact O-N 2.99Å
112	L	97	Very high	94.2	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-48	177.1	-179	59.3	0	0	0	111.1	H76 N78 V86 V90 F108 L109 A114 Y115	H76-L112 PolarHBondContact NE2-O 2.88Å; N78-L112 HydrophobicContact CB-CD1 4.18Å; V86-L112 HydrophobicContact CG1-CD2 3.76Å; V90-L112 HydrophobicContact CG1-CD1 3.74Å; V90-L112 HydrophobicContact CG1-CD2 4.46Å; F108-L112 HydrophobicContact CE1-CD2 4.3Å; F108-L112 HydrophobicContact CZ-CD2 4.11Å; F108-L112 WeakPolarHBondContact O-CB 3.34Å; F108-L112 PolarHBondContact O-N 3.42Å; L109-L112 PolarHBondContact O-N 3.11Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 2.91Å; L112-Y115 CarbonylContact O-C 3.55Å; L112-Y115 VanDerWaalsContact O-C 3.29Å; L112-Y115 PolarHBondContact O-N 2.93Å
113	L	97.8	Very high	94.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-33.2	178.7	-92.2	62.2	0	0	0	112.8	F38 P41 Y46 F70 I74 L109 Q111	F38-L113 HydrophobicContact CE1-CD2 3.8Å; F38-L113 HydrophobicContact CZ-CD2 4.35Å; P41-L113 HydrophobicContact CG-CB 3.99Å; P41-L113 HydrophobicContact CG-CD2 4.33Å; Y46-L113 HydrophobicContact CD1-CD2 4.09Å; Y46-L113 HydrophobicContact CD1-CG 4.29Å; Y46-L113 HydrophobicContact CD2-CB 3.65Å; Y46-L113 HydrophobicContact CD2-CD2 3.97Å; Y46-L113 HydrophobicContact CD2-CG 3.74Å; Y46-L113 HydrophobicContact CE1-CG 4.47Å; Y46-L113 HydrophobicContact CE2-CB 3.95Å; Y46-L113 HydrophobicContact CE2-CG 3.94Å; Y46-L113 WeakPolarHBondContact CE2-O 3.44Å; Y46-L113 HydrophobicContact CG-CB 4.26Å; Y46-L113 HydrophobicContact CG-CD2 3.69Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; F70-L113 HydrophobicContact CZ-CD1 4.39Å; I74-L113 HydrophobicContact CD1-CD1 4.46Å; I74-L113 HydrophobicContact CD1-CD2 4.34Å; I74-L113 HydrophobicContact CD1-CG 4.5Å; L109-L113 WeakPolarHBondContact O-CD1 3.45Å; L109-L113 PolarHBondContact O-N 3.01Å; Q111-L113 PolarHBondContact O-N 2.77Å
114	A	96.6	Very high	94.2	Very high	31 Å²	31	50 Å²	50	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-73.9	-38.7	176.7	0	0	0	0	0	112.4	T44 P110 Q111 L112	T44-A114 HydrophobicContact CG2-CB 3.87Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 2.88Å; P110-A114 VanDerWaalsContact O-N 3.1Å; Q111-A114 PolarHBondContact O-N 2.82Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 2.91Å
115	Y	94.9	Very high	94.2	Very high	166 Å²	166	55.2 Å²	55.2	65%	0.651	30%	0.301	S	S	*	.	S	Bend	trans	-134.1	80	-173	-55.5	-72	0	0	0	111	Q111 L112	Q111-Y115 PolarHBondContact O-N 2.99Å; L112-Y115 CarbonylContact O-C 3.55Å; L112-Y115 VanDerWaalsContact O-C 3.29Å; L112-Y115 PolarHBondContact O-N 2.93Å
116	P	93.1	Very high	94.2	Very high	9 Å²	9	55 Å²	55	6%	0.058	30%	0.299	C	S	.	.			trans	-58.2	147.1	176.1	-21.5	31.2	0	0	0	111.6	P77 P118 Y130	P77-P116 HydrophobicContact CB-CB 4.06Å; P77-P116 HydrophobicContact CG-CB 3.65Å; P77-P116 HydrophobicContact CG-CG 4.17Å; P116-P118 VanDerWaalsContact O-CD 3.23Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P116-Y130 HydrophobicContact CB-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CD2 4.22Å; P116-Y130 HydrophobicContact CG-CE2 4.03Å
117	N	87.7	Confident	94.2	Very high	42 Å²	42	51 Å²	51	23%	0.225	28%	0.282	C	S	.	.			trans	-87.6	108.4	168.4	-178.1	-2.6	0	0	0	109.2	N78 I119	N78-N117 PolarHBondContact ND2-O 2.88Å; N78-N117 PolarHBondContact OD1-N 2.84Å; N78-N117 PolarHBondContact OD1-O 3.24Å; N117-I119 PolarHBondContact O-N 3.29Å; N117-I119 WeakPolarHBondContact OD1-CB 3.49Å; N117-I119 WeakPolarHBondContact OD1-CG1 3.44Å; N117-I119 PolarHBondContact OD1-N 3.34Å
118	P	81.1	Confident	94.2	Very high	49 Å²	49	50.1 Å²	50.1	32%	0.318	28%	0.278	S	S	.	.			trans	-77.7	-2.9	-178.2	33.1	-36.5	0	0	0	113.8	P116 Y130 L131	P116-P118 VanDerWaalsContact O-CD 3.23Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-Y130 HydrophobicContact CB-CD1 4.49Å; P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.86Å; P118-L131 HydrophobicContact CB-CG 4.11Å; P118-L131 HydrophobicContact CG-CD2 4.15Å
119	I	82.4	Confident	94.1	Very high	130 Å²	130	50.9 Å²	50.9	67%	0.667	28%	0.282	S	S	*	.	S	Bend	trans	-82.9	119	179	-53.5	175.1	0	0	0	108.6	N117	N117-I119 PolarHBondContact O-N 3.29Å; N117-I119 WeakPolarHBondContact OD1-CB 3.49Å; N117-I119 WeakPolarHBondContact OD1-CG1 3.44Å; N117-I119 PolarHBondContact OD1-N 3.34Å
120	D	86.6	Confident	94.1	Very high	140 Å²	140	54.4 Å²	54.4	75%	0.749	30%	0.295	S	S	*	.	S	Bend	trans	53.8	66.3	-179.4	-155.9	21.1	0	0	0	114.3
121	P	93	Very high	94	Very high	39 Å²	39	57.7 Å²	57.7	25%	0.253	31%	0.311	S	S	.	.			trans	-73.9	145.5	-174.8	32.8	-36.9	0	0	0	112.3	P77 N123 A127	P77-P121 HydrophobicContact CB-CB 4.29Å; P77-P121 CarbonylContact O-C 3.53Å; P77-P121 WeakPolarHBondContact O-CA 3.31Å; P77-P121 WeakPolarHBondContact O-CB 3.33Å; P121-N123 VanDerWaalsContact C-N 3.34Å; P121-A127 HydrophobicContact CB-CB 3.54Å; P121-A127 HydrophobicContact CG-CB 3.51Å
122	L	96.2	Very high	93.9	Very high	76 Å²	76	59.4 Å²	59.4	40%	0.398	32%	0.319	S	S	.	.	S	Bend	trans	-72.6	-31.9	166.9	-66.2	-175.6	0	0	0	111.5	P77 D80 C87	P77-L122 PolarHBondContact O-N 3.03Å; D80-L122 HydrophobicContact CB-CB 4.37Å; D80-L122 HydrophobicContact CB-CD1 4.24Å; C87-L122 HydrophobicContact CB-CD1 3.69Å; C87-L122 HydrophobicContact CB-CG 4Å
123	N	96.7	Very high	93.9	Very high	11 Å²	11	63.9 Å²	63.9	6%	0.059	34%	0.335	C	S	.	.			trans	-113.2	95.1	174.4	-171.8	-27.9	0	0	0	109.9	H76 P77 E81 P121 D125 A126 A127	H76-N123 WeakPolarHBondContact O-CB 3.37Å; P77-N123 PolarHBondContact O-N 3.27Å; E81-N123 PolarHBondContact OE2-ND2 3.31Å; P121-N123 VanDerWaalsContact C-N 3.34Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.05Å; N123-D125 PolarHBondContact OD1-N 3.32Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 VanDerWaalsContact CG-CB 3.48Å; N123-A126 PolarHBondContact O-N 3.47Å; N123-A126 PolarHBondContact OD1-N 3.01Å; N123-A127 PolarHBondContact O-N 3.34Å
124	G	96.4	Very high	93.8	Very high	43 Å²	43	67 Å²	67	44%	0.443	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-35.4	179.9	0	0	0	0	0	113.5	A127 A128	G124-A127 PolarHBondContact O-N 3.01Å; G124-A128 WeakPolarHBondContact O-CB 3.39Å; G124-A128 PolarHBondContact O-N 3.26Å
125	D	96.4	Very high	93.9	Very high	113 Å²	113	71.5 Å²	71.5	60%	0.604	37%	0.371	S	S	*	.	H	α-helix	trans	-67.4	-45.2	178.3	-73.1	-14.9	0	0	0	111	F75 N123 A127 A128 M129	F75-D125 HydrophobicContact CE2-CB 4.43Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.05Å; N123-D125 PolarHBondContact OD1-N 3.32Å; D125-A127 VanDerWaalsContact C-N 3.33Å; D125-A127 PolarHBondContact O-N 3.1Å; D125-A128 PolarHBondContact O-N 3.18Å; D125-M129 WeakPolarHBondContact O-CG 3.46Å; D125-M129 PolarHBondContact O-N 3.16Å
126	A	97.5	Very high	94	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175.5	0	0	0	0	0	111.4	F75 P77 N123 M129 Y130 Y137	F75-A126 HydrophobicContact CD1-CB 3.99Å; F75-A126 HydrophobicContact CD2-CB 4.25Å; F75-A126 HydrophobicContact CE1-CB 3.64Å; F75-A126 HydrophobicContact CE2-CB 3.9Å; F75-A126 HydrophobicContact CG-CB 4.29Å; F75-A126 HydrophobicContact CZ-CB 3.6Å; P77-A126 HydrophobicContact CG-CB 4.16Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 VanDerWaalsContact CG-CB 3.48Å; N123-A126 PolarHBondContact O-N 3.47Å; N123-A126 PolarHBondContact OD1-N 3.01Å; A126-M129 PolarHBondContact O-N 2.65Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 3.18Å; A126-Y137 HydrophobicContact CB-CE2 4.26Å
127	A	97.1	Very high	94.2	Very high	5 Å²	5	68.2 Å²	68.2	4%	0.041	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-44.5	176.9	0	0	0	0	0	112.5	P77 P121 N123 G124 D125 M129 Y130 L131	P77-A127 HydrophobicContact CB-CB 4.08Å; P77-A127 HydrophobicContact CG-CB 4.44Å; P121-A127 HydrophobicContact CB-CB 3.54Å; P121-A127 HydrophobicContact CG-CB 3.51Å; N123-A127 PolarHBondContact O-N 3.34Å; G124-A127 PolarHBondContact O-N 3.01Å; D125-A127 VanDerWaalsContact C-N 3.33Å; D125-A127 PolarHBondContact O-N 3.1Å; A127-M129 PolarHBondContact O-N 3.17Å; A127-Y130 PolarHBondContact O-N 3.49Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 2.98Å
128	A	96.5	Very high	94.7	Very high	36 Å²	36	70 Å²	70	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-40.7	178.2	0	0	0	0	0	112	G124 D125 H132	G124-A128 WeakPolarHBondContact O-CB 3.39Å; G124-A128 PolarHBondContact O-N 3.26Å; D125-A128 PolarHBondContact O-N 3.18Å; A128-H132 WeakPolarHBondContact O-CB 3.33Å; A128-H132 PolarHBondContact O-CD2 3.3Å; A128-H132 PolarHBondContact O-N 3.39Å
129	M	97.1	Very high	95.5	Very high	30 Å²	30	72.3 Å²	72.3	15%	0.148	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-44.2	173.5	-70.1	-175.3	-170.6	0	0	111.5	F75 D125 A126 A127 L131 R133 Y137 K140	F75-M129 HydrophobicContact CE1-SD 3.85Å; F75-M129 HydrophobicContact CZ-CE 4.44Å; F75-M129 HydrophobicContact CZ-SD 3.86Å; D125-M129 WeakPolarHBondContact O-CG 3.46Å; D125-M129 PolarHBondContact O-N 3.16Å; A126-M129 PolarHBondContact O-N 2.65Å; A127-M129 PolarHBondContact O-N 3.17Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 2.83Å; M129-R133 CarbonylContact O-C 3.54Å; M129-R133 VanDerWaalsContact O-CA 3.29Å; M129-R133 WeakPolarHBondContact O-CA 3.36Å; M129-R133 PolarHBondContact O-N 3.39Å; M129-R133 VanDerWaalsContact O-O 3.05Å; M129-Y137 HydrophobicContact CB-CD2 4.04Å; M129-Y137 HydrophobicContact CB-CG 4.47Å; M129-K140 HydrophobicContact SD-CB 4.32Å; M129-K140 HydrophobicContact SD-CG 4.37Å
130	Y	96.4	Very high	96.3	Very high	74 Å²	74	69.2 Å²	69.2	29%	0.29	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-44.1	178.1	175.3	-108.3	0	0	0	112.3	P116 P118 A126 A127 Y137	P116-Y130 HydrophobicContact CB-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CD2 4.22Å; P116-Y130 HydrophobicContact CG-CE2 4.03Å; P118-Y130 HydrophobicContact CB-CD1 4.49Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.42Å; A126-Y130 PolarHBondContact O-N 3.18Å; A127-Y130 PolarHBondContact O-N 3.49Å; Y130-Y137 HydrophobicContact CD2-CD1 4.13Å; Y130-Y137 AromaticContact CD2-CE1 3.82Å; Y130-Y137 HydrophobicContact CD2-CE1 3.82Å
131	L	95.6	Very high	96.8	Very high	96 Å²	96	62.7 Å²	62.7	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-78.8	-38.8	-177.5	-68.8	176.1	0	0	0	114.1	P118 A127 M129	P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.86Å; P118-L131 HydrophobicContact CB-CG 4.11Å; P118-L131 HydrophobicContact CG-CD2 4.15Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 2.98Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 2.83Å
132	H	96.7	Very high	97.1	Very high	145 Å²	145	66.3 Å²	66.3	67%	0.671	33%	0.332	S	S	*	.	H	α-helix	trans	-113.7	-20.8	-167.7	-57	-55.2	0	0	0	114.2	A128	A128-H132 WeakPolarHBondContact O-CB 3.33Å; A128-H132 PolarHBondContact O-CD2 3.3Å; A128-H132 PolarHBondContact O-N 3.39Å
133	R	96.6	Very high	97.2	Very high	104 Å²	104	67.2 Å²	67.2	39%	0.392	33%	0.334	S	S	.	.			trans	-142	62	-172.5	-61.4	175.1	-69.6	162.1	-9.7	110.9	M129 E135 E136 Y137	M129-R133 CarbonylContact O-C 3.54Å; M129-R133 VanDerWaalsContact O-CA 3.29Å; M129-R133 WeakPolarHBondContact O-CA 3.36Å; M129-R133 PolarHBondContact O-N 3.39Å; M129-R133 VanDerWaalsContact O-O 3.05Å; R133-E135 PolarHBondContact O-N 3.23Å; R133-E135 VanDerWaalsContact O-N 3.14Å; R133-E136 HydrophobicContact CB-CB 4.01Å; R133-E136 HydrophobicContact CB-CG 4.24Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.7Å; R133-E136 IonicContact NE-OE2 3.65Å; R133-E136 IonicContact NH1-OE2 3.47Å; R133-E136 PolarHBondContact NH1-OE2 2.8Å; R133-E136 PolarHBondContact O-N 2.76Å; R133-Y137 PolarHBondContact O-N 3.06Å
134	P	95.9	Very high	97.2	Very high	68 Å²	68	68.1 Å²	68.1	44%	0.442	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-28.3	-170.6	23.9	-35.1	0	0	0	113.9	Y137 K138	P134-Y137 WeakPolarHBondContact O-CB 3.46Å; P134-K138 VanDerWaalsContact O-CG 3.29Å; P134-K138 WeakPolarHBondContact O-CG 3.4Å; P134-K138 PolarHBondContact O-N 2.9Å; P134-K138 VanDerWaalsContact O-N 3.12Å
135	E	97.4	Very high	97.3	Very high	125 Å²	125	66.5 Å²	66.5	58%	0.584	32%	0.318	S	S	*	.	H	α-helix	trans	-74.3	-39.3	175.5	-62	-51.7	131.2	0	0	112.3	R133 Y137 K138 Q139	R133-E135 PolarHBondContact O-N 3.23Å; R133-E135 VanDerWaalsContact O-N 3.14Å; E135-Y137 VanDerWaalsContact C-N 3.31Å; E135-Y137 PolarHBondContact O-N 3.08Å; E135-K138 PolarHBondContact O-N 3.07Å; E135-K138 IonicContact OE1-NZ 3.67Å; E135-K138 PolarHBondContact OE1-NZ 3.17Å; E135-K138 IonicContact OE2-NZ 2.78Å; E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 3.01Å
136	E	98	Very high	97.4	Very high	97 Å²	97	67.9 Å²	67.9	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-38.5	172.1	-68.8	-179.5	-152.3	0	0	111.1	R133 K138 Q139 K140	R133-E136 HydrophobicContact CB-CB 4.01Å; R133-E136 HydrophobicContact CB-CG 4.24Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.7Å; R133-E136 IonicContact NE-OE2 3.65Å; R133-E136 IonicContact NH1-OE2 3.47Å; R133-E136 PolarHBondContact NH1-OE2 2.8Å; R133-E136 PolarHBondContact O-N 2.76Å; E136-K138 PolarHBondContact O-N 2.62Å; E136-Q139 PolarHBondContact O-N 2.58Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.49Å; E136-K140 PolarHBondContact O-N 3.08Å
137	Y	97.9	Very high	97.3	Very high	9 Å²	9	74.3 Å²	74.3	4%	0.035	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-50.5	174.2	-179	-110	0	0	0	111.7	Y46 F75 P77 A126 M129 Y130 R133 P134 E135 Q139 K140 I141	Y46-Y137 PolarHBondContact OH-OH 3.05Å; F75-Y137 HydrophobicContact CD1-CD2 4.24Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.97Å; F75-Y137 HydrophobicContact CE1-CD2 3.97Å; F75-Y137 HydrophobicContact CE1-CE2 4.2Å; P77-Y137 VanDerWaalsContact CD-OH 3.25Å; P77-Y137 WeakPolarHBondContact CD-OH 3.22Å; P77-Y137 HydrophobicContact CG-CE2 4.5Å; A126-Y137 HydrophobicContact CB-CE2 4.26Å; M129-Y137 HydrophobicContact CB-CD2 4.04Å; M129-Y137 HydrophobicContact CB-CG 4.47Å; Y130-Y137 HydrophobicContact CD2-CD1 4.13Å; Y130-Y137 AromaticContact CD2-CE1 3.82Å; Y130-Y137 HydrophobicContact CD2-CE1 3.82Å; R133-Y137 PolarHBondContact O-N 3.06Å; P134-Y137 WeakPolarHBondContact O-CB 3.46Å; E135-Y137 VanDerWaalsContact C-N 3.31Å; E135-Y137 PolarHBondContact O-N 3.08Å; Y137-Q139 VanDerWaalsContact C-N 3.34Å; Y137-Q139 PolarHBondContact O-N 3.03Å; Y137-K140 PolarHBondContact O-N 2.98Å; Y137-I141 HydrophobicContact CD1-CD1 3.77Å; Y137-I141 HydrophobicContact CD2-CD1 4.26Å; Y137-I141 HydrophobicContact CE1-CD1 3.36Å; Y137-I141 HydrophobicContact CE2-CD1 3.89Å; Y137-I141 HydrophobicContact CG-CD1 4.21Å; Y137-I141 VanDerWaalsContact CZ-CD1 3.45Å; Y137-I141 WeakPolarHBondContact O-CG1 3.46Å; Y137-I141 PolarHBondContact O-N 3.18Å
138	K	97.8	Very high	97.4	Very high	80 Å²	80	76.3 Å²	76.3	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-44.2	176.7	-71.6	168.5	-172.6	169.7	0	111.9	P45 P134 E135 E136 I141 K142	P45-K138 HydrophobicContact CB-CG 4.17Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P134-K138 VanDerWaalsContact O-CG 3.29Å; P134-K138 WeakPolarHBondContact O-CG 3.4Å; P134-K138 PolarHBondContact O-N 2.9Å; P134-K138 VanDerWaalsContact O-N 3.12Å; E135-K138 PolarHBondContact O-N 3.07Å; E135-K138 IonicContact OE1-NZ 3.67Å; E135-K138 PolarHBondContact OE1-NZ 3.17Å; E135-K138 IonicContact OE2-NZ 2.78Å; E136-K138 PolarHBondContact O-N 2.62Å; K138-I141 PolarHBondContact O-N 2.78Å; K138-K142 WeakPolarHBondContact O-CG 3.46Å; K138-K142 PolarHBondContact O-N 2.82Å; K138-K142 VanDerWaalsContact O-N 3.09Å
139	Q	98.1	Very high	97.4	Very high	98 Å²	98	74.6 Å²	74.6	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-44.2	-179.1	-178.5	56.1	29.4	0	0	111.6	E135 E136 Y137 I141 K142 E143	E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 3.01Å; E136-Q139 PolarHBondContact O-N 2.58Å; Y137-Q139 VanDerWaalsContact C-N 3.34Å; Y137-Q139 PolarHBondContact O-N 3.03Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 2.96Å; Q139-K142 WeakPolarHBondContact O-CB 3.4Å; Q139-K142 PolarHBondContact O-N 3.43Å; Q139-E143 PolarHBondContact NE2-OE1 3.35Å; Q139-E143 VanDerWaalsContact NE2-OE1 3.13Å; Q139-E143 WeakPolarHBondContact O-CG 3.34Å; Q139-E143 PolarHBondContact O-N 3.48Å
140	K	98.1	Very high	97.5	Very high	65 Å²	65	74.1 Å²	74.1	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-42	176.6	-171.7	63.4	166	177.9	0	111.9	F75 M129 E136 Y137 E143 Y144	F75-K140 HydrophobicContact CD1-CB 4.25Å; F75-K140 HydrophobicContact CD1-CG 3.75Å; F75-K140 HydrophobicContact CD2-CG 4.41Å; F75-K140 HydrophobicContact CE1-CB 4.18Å; F75-K140 HydrophobicContact CE1-CG 3.69Å; F75-K140 HydrophobicContact CE2-CG 4.37Å; F75-K140 HydrophobicContact CG-CG 4.11Å; F75-K140 HydrophobicContact CZ-CG 4.01Å; M129-K140 HydrophobicContact SD-CB 4.32Å; M129-K140 HydrophobicContact SD-CG 4.37Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.49Å; E136-K140 PolarHBondContact O-N 3.08Å; Y137-K140 PolarHBondContact O-N 2.98Å; K140-E143 PolarHBondContact O-N 3.45Å; K140-Y144 HydrophobicContact CD-CD2 4.23Å; K140-Y144 HydrophobicContact CD-CE2 3.86Å; K140-Y144 HydrophobicContact CG-CD2 4.37Å; K140-Y144 HydrophobicContact CG-CE2 4.23Å; K140-Y144 VanDerWaalsContact O-CD2 3.25Å; K140-Y144 WeakPolarHBondContact O-CD2 3.46Å; K140-Y144 PolarHBondContact O-N 3.24Å
141	I	98.4	Very high	97.4	Very high	2 Å²	2	73.8 Å²	73.8	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-44.7	175.7	-69.1	166.2	0	0	0	110.9	P45 Y46 F75 Y137 K138 Q139 E143 Y144 I145	P45-I141 HydrophobicContact CB-CB 4.25Å; P45-I141 HydrophobicContact CB-CD1 3.74Å; P45-I141 HydrophobicContact CB-CG2 4.12Å; P45-I141 HydrophobicContact CG-CD1 4.35Å; P45-I141 VanDerWaalsContact O-CG2 3.24Å; P45-I141 WeakPolarHBondContact O-CG2 3.36Å; Y46-I141 HydrophobicContact CD1-CG2 3.67Å; Y46-I141 HydrophobicContact CE1-CD1 3.84Å; Y46-I141 HydrophobicContact CE1-CG1 4.07Å; Y46-I141 HydrophobicContact CE1-CG2 3.79Å; Y46-I141 HydrophobicContact CE2-CD1 4.03Å; Y46-I141 HydrophobicContact CG-CG2 4.26Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.39Å; F75-I141 HydrophobicContact CB-CG1 4.34Å; F75-I141 HydrophobicContact CD1-CG1 4.15Å; Y137-I141 HydrophobicContact CD1-CD1 3.77Å; Y137-I141 HydrophobicContact CD2-CD1 4.26Å; Y137-I141 HydrophobicContact CE1-CD1 3.36Å; Y137-I141 HydrophobicContact CE2-CD1 3.89Å; Y137-I141 HydrophobicContact CG-CD1 4.21Å; Y137-I141 VanDerWaalsContact CZ-CD1 3.45Å; Y137-I141 WeakPolarHBondContact O-CG1 3.46Å; Y137-I141 PolarHBondContact O-N 3.18Å; K138-I141 PolarHBondContact O-N 2.78Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 2.96Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.49Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.34Å; I141-Y144 VanDerWaalsContact O-N 3.12Å; I141-I145 HydrophobicContact CG2-CD1 3.93Å; I141-I145 HydrophobicContact CG2-CG1 4.35Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 2.94Å
142	K	97.8	Very high	97.4	Very high	116 Å²	116	75 Å²	75	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-41.9	176.8	-72.2	176.7	179.6	-178.1	0	112.3	K138 Q139 Y144 I145 Q146	K138-K142 WeakPolarHBondContact O-CG 3.46Å; K138-K142 PolarHBondContact O-N 2.82Å; K138-K142 VanDerWaalsContact O-N 3.09Å; Q139-K142 WeakPolarHBondContact O-CB 3.4Å; Q139-K142 PolarHBondContact O-N 3.43Å; K142-Y144 VanDerWaalsContact C-N 3.33Å; K142-I145 PolarHBondContact O-N 3.15Å; K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.19Å
143	E	98	Very high	97.3	Very high	95 Å²	95	68.3 Å²	68.3	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.2	-71.1	168.1	-165.2	0	0	111.8	Q139 K140 I141 I145 Q146 K147	Q139-E143 PolarHBondContact NE2-OE1 3.35Å; Q139-E143 VanDerWaalsContact NE2-OE1 3.13Å; Q139-E143 WeakPolarHBondContact O-CG 3.34Å; Q139-E143 PolarHBondContact O-N 3.48Å; K140-E143 PolarHBondContact O-N 3.45Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.49Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-Q146 PolarHBondContact O-N 2.61Å; E143-K147 VanDerWaalsContact O-CB 3.31Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 PolarHBondContact O-N 3.12Å
144	Y	98.1	Very high	97.2	Very high	29 Å²	29	63.7 Å²	63.7	11%	0.114	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-39.1	176.2	-88.2	-129.3	0	0	0	111.6	K73 F75 E81 K140 I141 K142 K147 Y148	K73-Y144 HydrophobicContact CB-CD1 4.48Å; F75-Y144 HydrophobicContact CB-CD1 3.7Å; F75-Y144 HydrophobicContact CB-CE1 3.92Å; F75-Y144 HydrophobicContact CB-CG 4.04Å; F75-Y144 HydrophobicContact CD2-CE1 4.16Å; F75-Y144 HydrophobicContact CG-CE1 4.46Å; E81-Y144 HydrophobicContact CG-CE1 4.35Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.39Å; E81-Y144 PolarHBondContact OE1-OH 2.92Å; K140-Y144 HydrophobicContact CD-CD2 4.23Å; K140-Y144 HydrophobicContact CD-CE2 3.86Å; K140-Y144 HydrophobicContact CG-CD2 4.37Å; K140-Y144 HydrophobicContact CG-CE2 4.23Å; K140-Y144 VanDerWaalsContact O-CD2 3.25Å; K140-Y144 WeakPolarHBondContact O-CD2 3.46Å; K140-Y144 PolarHBondContact O-N 3.24Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.34Å; I141-Y144 VanDerWaalsContact O-N 3.12Å; K142-Y144 VanDerWaalsContact C-N 3.33Å; Y144-K147 PolarHBondContact O-N 3.49Å; Y144-Y148 HydrophobicContact CD1-CD2 4.09Å; Y144-Y148 HydrophobicContact CD1-CE2 4.23Å; Y144-Y148 HydrophobicContact CE1-CE2 4.41Å; Y144-Y148 HydrophobicContact CG-CD2 4.16Å; Y144-Y148 HydrophobicContact CG-CE2 4.32Å; Y144-Y148 WeakPolarHBondContact O-CB 3.43Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.33Å; Y144-Y148 PolarHBondContact O-N 2.93Å
145	I	98.3	Very high	97	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.046	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-53.1	176.2	-71.4	168.2	0	0	0	110.1	W51 I141 K142 E143 K147 Y148 A149 T150	W51-I145 HydrophobicContact CH2-CD1 4.34Å; W51-I145 HydrophobicContact CH2-CG1 4.06Å; W51-I145 HydrophobicContact CZ2-CG1 4.06Å; I141-I145 HydrophobicContact CG2-CD1 3.93Å; I141-I145 HydrophobicContact CG2-CG1 4.35Å; I141-I145 WeakPolarHBondContact O-CG1 3.32Å; I141-I145 PolarHBondContact O-N 2.94Å; K142-I145 PolarHBondContact O-N 3.15Å; E143-I145 VanDerWaalsContact C-N 3.35Å; I145-K147 PolarHBondContact O-N 2.76Å; I145-Y148 PolarHBondContact O-N 2.64Å; I145-A149 CarbonylContact O-C 2.92Å; I145-A149 VanDerWaalsContact O-C 3.23Å; I145-A149 WeakPolarHBondContact O-CA 3.16Å; I145-A149 PolarHBondContact O-N 3Å; I145-T150 VanDerWaalsContact O-CG2 3.27Å; I145-T150 WeakPolarHBondContact O-CG2 3.47Å; I145-T150 PolarHBondContact O-N 2.87Å
146	Q	97.4	Very high	96.7	Very high	142 Å²	142	66.8 Å²	66.8	66%	0.664	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-32.4	-179.1	-67.1	-59	-42.3	0	0	112.8	K142 E143	K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.19Å; E143-Q146 PolarHBondContact O-N 2.61Å
147	K	97.1	Very high	95.9	Very high	135 Å²	135	66 Å²	66	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-87.8	-31.7	-176.4	-169.1	172.2	177.7	-170.8	0	114.2	E143 Y144 I145	E143-K147 VanDerWaalsContact O-CB 3.31Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 PolarHBondContact O-N 3.12Å; Y144-K147 PolarHBondContact O-N 3.49Å; I145-K147 PolarHBondContact O-N 2.76Å
148	Y	97.8	Very high	95.1	Very high	47 Å²	47	70.9 Å²	70.9	18%	0.184	32%	0.323	C	S	.	.	H	α-helix	trans	-133.4	-15.8	-166.5	-54.6	-64.8	0	0	0	114.7	N72 K73 Y144 I145	N72-Y148 WeakPolarHBondContact CB-O 3.47Å; N72-Y148 PolarHBondContact ND2-O 3.25Å; K73-Y148 HydrophobicContact CB-CD1 4.35Å; K73-Y148 HydrophobicContact CB-CD2 3.78Å; K73-Y148 HydrophobicContact CB-CE2 4.3Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.28Å; K73-Y148 HydrophobicContact CD-CD2 4.29Å; K73-Y148 HydrophobicContact CD-CE1 3.98Å; K73-Y148 HydrophobicContact CD-CE2 4Å; K73-Y148 HydrophobicContact CD-CG 4.42Å; K73-Y148 HydrophobicContact CG-CG 4.45Å; Y144-Y148 HydrophobicContact CD1-CD2 4.09Å; Y144-Y148 HydrophobicContact CD1-CE2 4.23Å; Y144-Y148 HydrophobicContact CE1-CE2 4.41Å; Y144-Y148 HydrophobicContact CG-CD2 4.16Å; Y144-Y148 HydrophobicContact CG-CE2 4.32Å; Y144-Y148 WeakPolarHBondContact O-CB 3.43Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.33Å; Y144-Y148 PolarHBondContact O-N 2.93Å; I145-Y148 PolarHBondContact O-N 2.64Å
149	A	97.8	Very high	94	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-134.2	40.3	-169.1	0	0	0	0	0	112.3	G49 V50 W51 I145	G49-A149 CarbonylContact C-O 3.29Å; G49-A149 WeakPolarHBondContact CA-O 3.19Å; V50-A149 WeakPolarHBondContact CG1-O 3.3Å; V50-A149 PolarHBondContact N-O 2.93Å; V50-A149 WeakPolarHBondContact O-CA 3.48Å; V50-A149 VanDerWaalsContact O-CB 3.29Å; V50-A149 WeakPolarHBondContact O-CB 3.5Å; W51-A149 HydrophobicContact CD2-CB 4.13Å; W51-A149 HydrophobicContact CG-CB 4.43Å; W51-A149 HydrophobicContact CZ2-CB 3.81Å; I145-A149 CarbonylContact O-C 2.92Å; I145-A149 VanDerWaalsContact O-C 3.23Å; I145-A149 WeakPolarHBondContact O-CA 3.16Å; I145-A149 PolarHBondContact O-N 3Å
150	T	97.6	Very high	92.2	Very high	21 Å²	21	72.9 Å²	72.9	13%	0.129	35%	0.352	C	S	.	.	S	Bend	trans	-106.4	163	163.7	79	0	0	0	0	110.3	V50 I145 E152 A153 L154	V50-T150 VanDerWaalsContact CG1-C 3.43Å; I145-T150 VanDerWaalsContact O-CG2 3.27Å; I145-T150 WeakPolarHBondContact O-CG2 3.47Å; I145-T150 PolarHBondContact O-N 2.87Å; T150-E152 WeakPolarHBondContact CB-OE2 3.42Å; T150-E152 PolarHBondContact O-N 3.44Å; T150-E152 PolarHBondContact OG1-N 2.99Å; T150-E152 PolarHBondContact OG1-OE2 2.88Å; T150-A153 PolarHBondContact O-N 3.29Å; T150-A153 PolarHBondContact OG1-N 3.26Å; T150-A153 VanDerWaalsContact OG1-N 3.1Å; T150-L154 WeakPolarHBondContact O-CG 3.46Å; T150-L154 PolarHBondContact O-N 2.85Å
151	E	95.6	Very high	90.3	Very high	67 Å²	67	75.3 Å²	75.3	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-32.4	176	-64.6	-76	-172.9	0	0	111.2	K37 Y39 V50 K155	K37-E151 WeakPolarHBondContact CE-OE1 3.48Å; K37-E151 WeakPolarHBondContact CE-OE2 3.44Å; K37-E151 VanDerWaalsContact NZ-CD 3.27Å; K37-E151 IonicContact NZ-OE1 3.3Å; K37-E151 PolarHBondContact NZ-OE1 3.02Å; K37-E151 IonicContact NZ-OE2 3.69Å; K37-E151 PolarHBondContact NZ-OE2 3.22Å; Y39-E151 PolarHBondContact OH-OE1 2.94Å; V50-E151 HydrophobicContact CG1-CG 4.26Å; E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 3.42Å
152	E	94.9	Very high	87.8	Confident	120 Å²	120	78.2 Å²	78.2	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-67.4	-49.9	174.4	-57	73.2	-156.2	0	0	111.1	T150 L154 K155 E156	T150-E152 WeakPolarHBondContact CB-OE2 3.42Å; T150-E152 PolarHBondContact O-N 3.44Å; T150-E152 PolarHBondContact OG1-N 2.99Å; T150-E152 PolarHBondContact OG1-OE2 2.88Å; E152-L154 PolarHBondContact O-N 3.43Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 VanDerWaalsContact O-N 3.1Å; E152-E156 WeakPolarHBondContact O-CG 3.39Å; E152-E156 PolarHBondContact O-N 3.39Å
153	A	95.1	Very high	85.1	Confident	6 Å²	6	79.7 Å²	79.7	5%	0.05	42%	0.416	C	S	.	.	H	α-helix	trans	-61.4	-33.3	179.6	0	0	0	0	0	112.5	T150 Q157	T150-A153 PolarHBondContact O-N 3.29Å; T150-A153 PolarHBondContact OG1-N 3.26Å; T150-A153 VanDerWaalsContact OG1-N 3.1Å; A153-Q157 WeakPolarHBondContact O-CG 3.4Å; A153-Q157 PolarHBondContact O-N 2.98Å
154	L	94.1	Very high	82.3	Confident	7 Å²	7	80.6 Å²	80.6	4%	0.037	43%	0.433	C	S	.	.	H	α-helix	trans	-69.4	-35.7	175.8	-72.1	-176.2	0	0	0	112.9	V50 K52 N72 T150 E152 E158	V50-L154 HydrophobicContact CB-CD1 4.31Å; V50-L154 HydrophobicContact CG1-CD1 3.69Å; V50-L154 HydrophobicContact CG1-CG 4.34Å; V50-L154 HydrophobicContact CG2-CD1 3.81Å; K52-L154 HydrophobicContact CD-CD2 4.31Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; N72-L154 HydrophobicContact CB-CD2 3.94Å; T150-L154 WeakPolarHBondContact O-CG 3.46Å; T150-L154 PolarHBondContact O-N 2.85Å; E152-L154 PolarHBondContact O-N 3.43Å; L154-E158 WeakPolarHBondContact O-CG 3.16Å; L154-E158 PolarHBondContact O-N 3.31Å
155	K	92.5	Very high	79.6	Confident	122 Å²	122	83.4 Å²	83.4	53%	0.53	46%	0.457	S	S	.	.	H	α-helix	trans	-70	-44.1	176.1	-71.4	171.5	-176.7	176.3	0	111.4	E151 E152 Q157 E158 E159	E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 3.42Å; E152-K155 PolarHBondContact O-N 2.96Å; E152-K155 VanDerWaalsContact O-N 3.1Å; K155-Q157 PolarHBondContact O-N 3.36Å; K155-E158 PolarHBondContact O-N 2.76Å; K155-E158 VanDerWaalsContact O-N 3.07Å; K155-E159 PolarHBondContact O-N 3.01Å
156	E	90.1	Very high	77.1	Confident	136 Å²	136	88.4 Å²	88.4	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-58.1	-38.3	176.7	-70	176.6	-177	0	0	112.1	E152 G160	E152-E156 WeakPolarHBondContact O-CG 3.39Å; E152-E156 PolarHBondContact O-N 3.39Å; E156-G160 PolarHBondContact O-N 3.14Å
157	Q	81.4	Confident	74.8	Confident	79 Å²	79	90 Å²	90	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-67.9	-34.7	176	-76.1	178.1	13.7	0	0	113.3	A153 K155 T161	A153-Q157 WeakPolarHBondContact O-CG 3.4Å; A153-Q157 PolarHBondContact O-N 2.98Å; K155-Q157 PolarHBondContact O-N 3.36Å; Q157-T161 PolarHBondContact O-OG1 3.03Å; Q157-T161 VanDerWaalsContact O-OG1 3.08Å
158	E	80.3	Confident	72.4	Confident	112 Å²	112	88.9 Å²	88.9	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-69.5	-44.9	176.2	-72	178.5	161.9	0	0	111.4	K52 L154 K155 T161	K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.97Å; K52-E158 PolarHBondContact NZ-OE1 3.06Å; L154-E158 WeakPolarHBondContact O-CG 3.16Å; L154-E158 PolarHBondContact O-N 3.31Å; K155-E158 PolarHBondContact O-N 2.76Å; K155-E158 VanDerWaalsContact O-N 3.07Å; E158-T161 PolarHBondContact O-N 3.35Å; E158-T161 PolarHBondContact O-OG1 2.65Å
159	E	75.4	Confident	70.5	Confident	154 Å²	154	91.4 Å²	91.4	72%	0.72	53%	0.534	S	S	*	.	H	α-helix	trans	-66	-39.8	180	-68.8	179.7	179	0	0	111.8	K155 T161 G162	K155-E159 PolarHBondContact O-N 3.01Å; E159-T161 PolarHBondContact O-N 2.96Å; E159-G162 PolarHBondContact O-N 2.98Å
160	G	61.2	Low	68.3	Low	66 Å²	66	100.3 Å²	100.3	68%	0.68	58%	0.577	S	S	*	*	H	α-helix	trans	-66.4	-19.6	179.4	0	0	0	0	0	115	E156	E156-G160 PolarHBondContact O-N 3.14Å
161	T	57.7	Low	66.3	Low	117 Å²	117	104.3 Å²	104.3	72%	0.718	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-9.1	175.8	35	0	0	0	0	114.4	Q157 E158 E159	Q157-T161 PolarHBondContact O-OG1 3.03Å; Q157-T161 VanDerWaalsContact O-OG1 3.08Å; E158-T161 PolarHBondContact O-N 3.35Å; E158-T161 PolarHBondContact O-OG1 2.65Å; E159-T161 PolarHBondContact O-N 2.96Å
162	G	45	Very low	64.5	Low	63 Å²	63	107.7 Å²	107.7	65%	0.649	63%	0.627	S	S	*	*	S	Bend	trans	-89.1	-9.8	-171.3	0	0	0	0	0	117.1	E159	E159-G162 PolarHBondContact O-N 2.98Å
163	D	41.5	Very low	62.7	Low	147 Å²	147	111.7 Å²	111.7	79%	0.786	64%	0.642	S	S	*	*			trans	-122.5	23.9	-167	-158.4	26.7	0	0	0	115
164	S	39.9	Very low	60.4	Low	113 Å²	113	115.3 Å²	115.3	79%	0.79	67%	0.668	S	S	*	*			trans	-103	48.5	173.9	-173.6	0	0	0	0	112.3
165	S	41.8	Very low	58.4	Low	89 Å²	89	123.7 Å²	123.7	62%	0.622	71%	0.706	S	S	*	*	S	Bend	trans	-110.7	93.4	157.9	54.2	0	0	0	0	107.9	E167	S165-E167 PolarHBondContact O-N 2.97Å
166	S	44.7	Very low	56.6	Low	113 Å²	113	124.5 Å²	124.5	79%	0.79	72%	0.717	S	S	*	*			trans	-57.3	102.5	-178.4	-46.6	0	0	0	0	111.2	S168	S166-S168 VanDerWaalsContact C-N 3.31Å; S166-S168 PolarHBondContact O-N 3.43Å
167	E	48.7	Very low	54.8	Low	176 Å²	176	125.4 Å²	125.4	82%	0.822	72%	0.721	S	S	*	*			trans	-66.2	90.6	163.1	-61	-112.3	119.8	0	0	107.7	S165 S169	S165-E167 PolarHBondContact O-N 2.97Å; E167-S169 PolarHBondContact O-N 2.88Å
168	S	47.5	Very low	53.7	Low	111 Å²	111	126.6 Å²	126.6	78%	0.776	74%	0.744	S	S	*	*			trans	-72.9	75.7	162.4	60	0	0	0	0	108	S166 M170	S166-S168 VanDerWaalsContact C-N 3.31Å; S166-S168 PolarHBondContact O-N 3.43Å; S168-M170 PolarHBondContact O-N 3.36Å
169	S	56.9	Low	52.3	Low	101 Å²	101	129.1 Å²	129.1	71%	0.706	76%	0.756	S	S	*	*			trans	-76.1	111.9	175.4	-161.9	0	0	0	0	108.8	E167 S171	E167-S169 PolarHBondContact O-N 2.88Å; S169-S171 PolarHBondContact O-N 3.26Å
170	M	53.1	Low	51.3	Low	186 Å²	186	128.1 Å²	128.1	92%	0.916	76%	0.756	S	S	*	*			trans	-71.8	116.2	172.8	-63.6	-159.9	166.8	0	0	108.9	S168	S168-M170 PolarHBondContact O-N 3.36Å
171	S	55.9	Low	51.1	Low	105 Å²	105	132.6 Å²	132.6	73%	0.734	76%	0.761	S	S	*	*			trans	-115.5	105.3	166.4	62.3	0	0	0	0	110.1	S169	S169-S171 PolarHBondContact O-N 3.26Å
172	D	55.9	Low	50.9	Low	139 Å²	139	136.2 Å²	136.2	74%	0.743	77%	0.769	S	S	*	*			trans	-38	135.5	155.7	-168.6	24.4	0	0	0	112.7
173	F	56.9	Low	51.3	Low	203 Å²	203	145.1 Å²	145.1	89%	0.89	80%	0.801	S	S	*	*			trans	-122.9	97.1	166.9	-117.4	-87.3	0	0	0	106.3
174	S	46.9	Very low	51.7	Low	83 Å²	83	145 Å²	145	58%	0.58	80%	0.802	S	S	*	*			trans	-112.7	167.9	159.4	50.8	0	0	0	0	108.5
175	E	53.9	Low	52.4	Low	182 Å²	182	146.7 Å²	146.7	85%	0.85	80%	0.802	S	S	*	*			trans	91.8	137.3	-171.6	-60.1	-178.3	153.5	0	0	114.2
176	D	54.1	Low	53	Low	140 Å²	140	149.9 Å²	149.9	75%	0.749	81%	0.812	S	S	*	*			cis	-176.2	160.7	-23.4	-139.1	-40.1	0	0	0	104.4
177	E	51.6	Low	53.4	Low	154 Å²	154	152.1 Å²	152.1	72%	0.72	81%	0.813	S	S	*	*			trans	51.6	109.3	157.2	-56.5	-146.7	116.4	0	0	122.2
178	A	58.9	Low	53.7	Low	104 Å²	104	150.6 Å²	150.6	86%	0.86	81%	0.813	S	S	*	*				-153.9	104.2	128.4	0	0	0	0	0	110.6
179	Q	49.7	Very low	54.2	Low	166 Å²	166	153.2 Å²	153.2	78%	0.776	82%	0.815	S	S	*	*			trans	-54.3	143.3	158.6	-65.4	159.1	-1.5	0	0	109.5
180	D	55.2	Low	54	Low	133 Å²	133	156.9 Å²	156.9	71%	0.711	82%	0.823	S	S	*	*				166.6	142.3	106.6	-140.8	-12	0	0	0	113.6
181	M	57.8	Low	54	Low	160 Å²	160	154.7 Å²	154.7	79%	0.788	82%	0.816	S	S	*	*			trans	70.2	111.7	155.8	-86	175.9	-84.6	0	0	123.7
182	E	53.8	Low	53.9	Low	192 Å²	192	158.8 Å²	158.8	90%	0.897	82%	0.823	S	S	*	*			trans	-51.4	142.4	158.4	-59.7	174.4	139.3	0	0	114.2
183	L	51.6	Low	53.7	Low	250 Å²	250	160.6 Å²	160.6	100%	1.309	83%	0.83	S	S	*	*			trans	-153.6	0	132.5	-94.8	179.3	0	0	0	109.5

Retrieved 183 of 183 residues in 36.6 ms (Link to these results)

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