A0A3B3W1L3_9TELE Loading...

Ubiquitin-conjugating enzyme E2 H

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

AlphaFold DB , UniProt , Accession A0A3B3W1L3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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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	57.4	Low	83.8	Confident	243 Å²	243	96 Å²	96	100%	1.197	53%	0.533	S	S	*	.				0	119.4	0	-65.5	179.7	-176.7	0	0	107.2
2	S	68.6	Low	84.7	Confident	125 Å²	125	91.9 Å²	91.9	87%	0.874	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-69.7	136.5	-179.5	-74.8	0	0	0	0	110.7
3	S	73	Confident	85.5	Confident	97 Å²	97	90.2 Å²	90.2	68%	0.678	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-57.1	138.4	173.3	-68	0	0	0	0	110.9
4	P	81.3	Confident	86.3	Confident	60 Å²	60	83.7 Å²	83.7	39%	0.39	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.5	177.8	21.7	-29.4	0	0	0	110.5	K8 R9	P4-K8 HydrophobicContact CB-CB 4.43Å; P4-K8 HydrophobicContact CB-CD 4.07Å; P4-K8 HydrophobicContact CB-CG 4.44Å; P4-R9 HydrophobicContact CB-CG 4.08Å; P4-R9 HydrophobicContact CG-CG 3.9Å; P4-R9 PolarHBondContact O-NE 3.2Å; P4-R9 VanDerWaalsContact O-NE 3.1Å
5	S	89	Confident	87	Confident	68 Å²	68	78.1 Å²	78.1	48%	0.476	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-59.7	154.3	178.9	70.3	0	0	0	0	110.9	G7 K8 R9	S5-G7 PolarHBondContact O-N 3.32Å; S5-K8 PolarHBondContact O-N 3.13Å; S5-K8 VanDerWaalsContact O-N 3.09Å; S5-K8 WeakPolarHBondContact OG-CB 3.38Å; S5-K8 PolarHBondContact OG-N 2.89Å; S5-R9 WeakPolarHBondContact O-CG 3.18Å; S5-R9 PolarHBondContact O-N 3.36Å
6	P	89	Confident	87.5	Confident	112 Å²	112	77.1 Å²	77.1	73%	0.727	43%	0.432	S	S	*	.	H	α-helix	trans	-54.9	-39.8	177.2	-26.3	34.6	0	0	0	113	R9 R10	P6-R9 PolarHBondContact O-N 2.68Å; P6-R10 WeakPolarHBondContact O-CB 3.39Å; P6-R10 PolarHBondContact O-N 2.71Å
7	G	88.7	Confident	88	Confident	17 Å²	17	78.3 Å²	78.3	18%	0.175	43%	0.431	C	S	.	.	H	α-helix	trans	-63.6	-42.6	176	0	0	0	0	0	112.8	S5 R10 M11 Y61	S5-G7 PolarHBondContact O-N 3.32Å; G7-R10 PolarHBondContact O-N 3.34Å; G7-M11 PolarHBondContact O-N 2.79Å; G7-Y61 WeakPolarHBondContact CA-O 3.36Å
8	K	91.2	Very high	88.5	Confident	110 Å²	110	73.9 Å²	73.9	48%	0.478	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-44.6	175.7	-171.7	177.9	178.7	70.7	0	111.8	P4 S5 R10 M11 D12	P4-K8 HydrophobicContact CB-CB 4.43Å; P4-K8 HydrophobicContact CB-CD 4.07Å; P4-K8 HydrophobicContact CB-CG 4.44Å; S5-K8 PolarHBondContact O-N 3.13Å; S5-K8 VanDerWaalsContact O-N 3.09Å; S5-K8 WeakPolarHBondContact OG-CB 3.38Å; S5-K8 PolarHBondContact OG-N 2.89Å; K8-R10 PolarHBondContact O-N 3.44Å; K8-M11 WeakPolarHBondContact O-CB 3.15Å; K8-M11 PolarHBondContact O-N 3.23Å; K8-D12 PolarHBondContact O-N 3.17Å
9	R	93.3	Very high	88.8	Confident	132 Å²	132	74.2 Å²	74.2	50%	0.498	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-39.7	175.3	-66.9	179	-173.6	-154	-7.8	111.8	P4 S5 P6 T13	P4-R9 HydrophobicContact CB-CG 4.08Å; P4-R9 HydrophobicContact CG-CG 3.9Å; P4-R9 PolarHBondContact O-NE 3.2Å; P4-R9 VanDerWaalsContact O-NE 3.1Å; S5-R9 WeakPolarHBondContact O-CG 3.18Å; S5-R9 PolarHBondContact O-N 3.36Å; P6-R9 PolarHBondContact O-N 2.68Å; R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.16Å; R9-T13 PolarHBondContact O-OG1 2.6Å
10	R	94.9	Very high	89.1	Confident	74 Å²	74	78.2 Å²	78.2	28%	0.279	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-44.9	177.6	178.3	56.9	-167	-161.2	15.5	111.6	P6 G7 K8 T13 D14 Y61 P62	P6-R10 WeakPolarHBondContact O-CB 3.39Å; P6-R10 PolarHBondContact O-N 2.71Å; G7-R10 PolarHBondContact O-N 3.34Å; K8-R10 PolarHBondContact O-N 3.44Å; R10-T13 PolarHBondContact O-N 2.91Å; R10-D14 WeakPolarHBondContact CD-OD1 3.47Å; R10-D14 IonicContact CZ-OD1 3.47Å; R10-D14 IonicContact CZ-OD2 3.3Å; R10-D14 IonicContact NE-OD1 3.67Å; R10-D14 PolarHBondContact NE-OD1 2.7Å; R10-D14 IonicContact NE-OD2 2.95Å; R10-D14 PolarHBondContact NE-OD2 3.16Å; R10-D14 IonicContact NH1-OD1 3.31Å; R10-D14 IonicContact NH2-OD1 2.85Å; R10-D14 PolarHBondContact NH2-OD1 2.94Å; R10-D14 IonicContact NH2-OD2 3.64Å; R10-D14 PolarHBondContact NH2-OD2 3.38Å; R10-D14 WeakPolarHBondContact O-CB 3.45Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 3.25Å; R10-Y61 HydrophobicContact CG-CE1 4.2Å; R10-P62 HydrophobicContact CG-CG 4.07Å
11	M	95.6	Very high	89.3	Confident	18 Å²	18	76.3 Å²	76.3	9%	0.089	42%	0.415	C	S	.	.	H	α-helix	trans	-54.4	-54.2	173.3	-175.5	-172.9	-68.1	0	0	111.3	G7 K8 T13 D14 V15 N32 L57 Y61	G7-M11 PolarHBondContact O-N 2.79Å; K8-M11 WeakPolarHBondContact O-CB 3.15Å; K8-M11 PolarHBondContact O-N 3.23Å; M11-T13 VanDerWaalsContact C-N 3.29Å; M11-T13 PolarHBondContact O-N 3.01Å; M11-D14 PolarHBondContact O-N 3.19Å; M11-V15 HydrophobicContact CG-CG2 4.44Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.47Å; M11-V15 PolarHBondContact O-N 3.02Å; M11-N32 HydrophobicContact CE-CB 4.35Å; M11-N32 HydrophobicContact SD-CB 3.82Å; M11-L57 HydrophobicContact CE-CB 3.91Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.4Å; M11-L57 HydrophobicContact SD-CD1 4.36Å; M11-Y61 HydrophobicContact CB-CD1 3.84Å; M11-Y61 HydrophobicContact CB-CE1 4.25Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.35Å
12	D	94.6	Very high	91.1	Very high	47 Å²	47	72.2 Å²	72.2	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-58.5	-43.3	-178.8	-60.6	-16.3	0	0	0	110.9	K8 V16 L31	K8-D12 PolarHBondContact O-N 3.17Å; D12-V16 WeakPolarHBondContact O-CB 3.36Å; D12-V16 WeakPolarHBondContact O-CG2 3.5Å; D12-V16 PolarHBondContact O-N 3.47Å; D12-L31 HydrophobicContact CB-CD1 4.35Å
13	T	95.5	Very high	92.3	Very high	69 Å²	69	67.7 Å²	67.7	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-43.1	178.8	-55.5	0	0	0	0	112.3	R9 R10 M11 K17	R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.16Å; R9-T13 PolarHBondContact O-OG1 2.6Å; R10-T13 PolarHBondContact O-N 2.91Å; M11-T13 VanDerWaalsContact C-N 3.29Å; M11-T13 PolarHBondContact O-N 3.01Å; T13-K17 HydrophobicContact CG2-CD 4.36Å; T13-K17 VanDerWaalsContact O-CG 3.3Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 3Å
14	D	96.4	Very high	93.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-70.1	-40.6	-176.8	-73.1	-2.1	0	0	0	112.3	R10 M11 K17 L18 Y61 L101	R10-D14 WeakPolarHBondContact CD-OD1 3.47Å; R10-D14 IonicContact CZ-OD1 3.47Å; R10-D14 IonicContact CZ-OD2 3.3Å; R10-D14 IonicContact NE-OD1 3.67Å; R10-D14 PolarHBondContact NE-OD1 2.7Å; R10-D14 IonicContact NE-OD2 2.95Å; R10-D14 PolarHBondContact NE-OD2 3.16Å; R10-D14 IonicContact NH1-OD1 3.31Å; R10-D14 IonicContact NH2-OD1 2.85Å; R10-D14 PolarHBondContact NH2-OD1 2.94Å; R10-D14 IonicContact NH2-OD2 3.64Å; R10-D14 PolarHBondContact NH2-OD2 3.38Å; R10-D14 WeakPolarHBondContact O-CB 3.45Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 3.25Å; M11-D14 PolarHBondContact O-N 3.19Å; D14-K17 PolarHBondContact O-N 3.26Å; D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 PolarHBondContact O-N 2.95Å; D14-Y61 PolarHBondContact OD2-OH 3Å; D14-L101 HydrophobicContact CB-CB 4.07Å; D14-L101 HydrophobicContact CB-CD2 4.02Å
15	V	95.9	Very high	94.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-69.1	-41	178.9	179.2	0	0	0	0	110	M11 K17 L18 I19 I27 L31 F34 L57 L101	M11-V15 HydrophobicContact CG-CG2 4.44Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.47Å; M11-V15 PolarHBondContact O-N 3.02Å; V15-K17 VanDerWaalsContact C-N 3.35Å; V15-K17 PolarHBondContact O-N 3.39Å; V15-L18 WeakPolarHBondContact O-CB 3.05Å; V15-L18 PolarHBondContact O-N 2.75Å; V15-L18 VanDerWaalsContact O-N 3.16Å; V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.5Å; V15-I19 PolarHBondContact O-N 2.93Å; V15-I27 HydrophobicContact CG1-CD1 4.09Å; V15-L31 HydrophobicContact CB-CB 4.44Å; V15-L31 HydrophobicContact CG1-CB 4.17Å; V15-L31 HydrophobicContact CG1-CD2 3.87Å; V15-L31 VanDerWaalsContact CG2-O 3.27Å; V15-L31 WeakPolarHBondContact CG2-O 3.49Å; V15-F34 HydrophobicContact CG1-CD1 4.3Å; V15-F34 HydrophobicContact CG1-CE1 4.41Å; V15-F34 HydrophobicContact CG2-CD1 4.46Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; V15-L57 HydrophobicContact CG2-CD1 3.63Å; V15-L101 HydrophobicContact CG2-CD2 3.99Å
16	V	95.7	Very high	94.6	Very high	62 Å²	62	67.4 Å²	67.4	38%	0.376	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-44.8	173.6	169.6	0	0	0	0	111.1	D12 L18 I19 E20	D12-V16 WeakPolarHBondContact O-CB 3.36Å; D12-V16 WeakPolarHBondContact O-CG2 3.5Å; D12-V16 PolarHBondContact O-N 3.47Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-I19 VanDerWaalsContact O-N 3.16Å; V16-E20 HydrophobicContact CG1-CG 4.34Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.28Å
17	K	95.9	Very high	94.9	Very high	97 Å²	97	65 Å²	65	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-38.5	174.5	-76.5	174.5	176.1	-175.2	0	112.9	T13 D14 V15 E20 S21	T13-K17 HydrophobicContact CG2-CD 4.36Å; T13-K17 VanDerWaalsContact O-CG 3.3Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 3Å; D14-K17 PolarHBondContact O-N 3.26Å; V15-K17 VanDerWaalsContact C-N 3.35Å; V15-K17 PolarHBondContact O-N 3.39Å; K17-E20 PolarHBondContact O-N 3.44Å; K17-S21 PolarHBondContact O-N 3.31Å; K17-S21 VanDerWaalsContact O-N 3.13Å
18	L	96.2	Very high	95.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-40.6	176.3	-175.8	66.8	0	0	0	111.2	D14 V15 V16 S21 H23 V25 F34 V36 L101 T102 F105	D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 PolarHBondContact O-N 2.95Å; V15-L18 WeakPolarHBondContact O-CB 3.05Å; V15-L18 PolarHBondContact O-N 2.75Å; V15-L18 VanDerWaalsContact O-N 3.16Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å; L18-S21 WeakPolarHBondContact O-CB 3.43Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-OG 3.06Å; L18-H23 HydrophobicContact CD1-CB 4.4Å; L18-V25 HydrophobicContact CD2-CG2 4.26Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; L18-F34 HydrophobicContact CD2-CD2 4.08Å; L18-F34 HydrophobicContact CD2-CE2 3.41Å; L18-F34 VanDerWaalsContact CD2-CE2 3.41Å; L18-F34 HydrophobicContact CD2-CZ 3.97Å; L18-V36 HydrophobicContact CD2-CG2 4.14Å; L18-L101 HydrophobicContact CB-CD2 4.33Å; L18-L101 HydrophobicContact CD2-CD2 3.95Å; L18-L101 HydrophobicContact CD2-CG 4.21Å; L18-T102 HydrophobicContact CD1-CG2 3.88Å; L18-F105 HydrophobicContact CD1-CD2 3.94Å; L18-F105 HydrophobicContact CD1-CE2 4.1Å; L18-F105 HydrophobicContact CD2-CE2 3.98Å
19	I	95.2	Very high	95.1	Very high	78 Å²	78	67.1 Å²	67.1	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-39.9	175.1	-65.5	161.6	0	0	0	111.4	V15 V16 S21 V25 I27	V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.5Å; V15-I19 PolarHBondContact O-N 2.93Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-I19 VanDerWaalsContact O-N 3.16Å; I19-S21 PolarHBondContact O-N 3.25Å; I19-V25 HydrophobicContact CG1-CB 4.18Å; I19-V25 HydrophobicContact CG1-CG1 4.09Å; I19-V25 HydrophobicContact CG1-CG2 4.48Å; I19-I27 HydrophobicContact CD1-CD1 4.1Å; I19-I27 HydrophobicContact CD1-CG1 4.34Å
20	E	94.2	Very high	95	Very high	155 Å²	155	61.8 Å²	61.8	72%	0.724	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.1	178.2	-69.7	178.1	167.4	0	0	113.3	V16 K17	V16-E20 HydrophobicContact CG1-CG 4.34Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.28Å; K17-E20 PolarHBondContact O-N 3.44Å
21	S	94.4	Very high	94.9	Very high	38 Å²	38	61 Å²	61	27%	0.266	33%	0.327	S	S	.	.	S	Bend	trans	-79.8	-175.8	178.3	82.6	0	0	0	0	112.1	K17 L18 I19 H23	K17-S21 PolarHBondContact O-N 3.31Å; K17-S21 VanDerWaalsContact O-N 3.13Å; L18-S21 WeakPolarHBondContact O-CB 3.43Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-OG 3.06Å; I19-S21 PolarHBondContact O-N 3.25Å; S21-H23 PolarHBondContact O-N 3.06Å; S21-H23 WeakPolarHBondContact OG-CB 3.3Å; S21-H23 PolarHBondContact OG-CD2 3.27Å; S21-H23 PolarHBondContact OG-N 3.12Å
22	K	93.7	Very high	94.9	Very high	158 Å²	158	63.4 Å²	63.4	69%	0.687	34%	0.34	S	S	*	.	S	Bend	trans	-72.3	-7.8	174.2	68.8	-173.4	176.4	-153.8	0	114	E106	K22-E106 WeakPolarHBondContact CE-OE1 3.19Å; K22-E106 IonicContact NZ-OE1 2.84Å; K22-E106 PolarHBondContact NZ-OE1 3.11Å
23	H	95.1	Very high	95	Very high	29 Å²	29	62.6 Å²	62.6	13%	0.134	33%	0.334	C	S	.	.	S	Bend	trans	-81.7	138.7	-174.5	-63.5	-67	0	0	0	111.3	L18 S21 V25 V36 E106	L18-H23 HydrophobicContact CD1-CB 4.4Å; S21-H23 PolarHBondContact O-N 3.06Å; S21-H23 WeakPolarHBondContact OG-CB 3.3Å; S21-H23 PolarHBondContact OG-CD2 3.27Å; S21-H23 PolarHBondContact OG-N 3.12Å; H23-V25 HydrophobicContact CB-CG2 4.43Å; H23-V25 PolarHBondContact O-N 2.98Å; H23-V36 HydrophobicContact CB-CG1 3.88Å; H23-E106 WeakPolarHBondContact NE2-CG 3.42Å; H23-E106 IonicContact NE2-OE1 2.88Å
24	E	96.3	Very high	95.1	Very high	99 Å²	99	59.3 Å²	59.3	46%	0.463	31%	0.314	S	S	.	.			trans	-81.9	100.5	176.8	-61.9	167.3	-111.3	0	0	109.1	V36 K37 Y39	E24-V36 WeakPolarHBondContact O-CA 3.49Å; E24-K37 HydrophobicContact CB-CB 3.91Å; E24-K37 PolarHBondContact O-N 3.29Å; E24-K37 WeakPolarHBondContact OE2-CD 3.46Å; E24-Y39 PolarHBondContact OE1-OH 2.95Å
25	V	97.1	Very high	95.2	Very high	32 Å²	32	59.9 Å²	59.9	19%	0.194	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.9	-176.4	-172.1	0	0	0	0	110.8	L18 I19 H23 I27 F34 V35 V36	L18-V25 HydrophobicContact CD2-CG2 4.26Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; I19-V25 HydrophobicContact CG1-CB 4.18Å; I19-V25 HydrophobicContact CG1-CG1 4.09Å; I19-V25 HydrophobicContact CG1-CG2 4.48Å; H23-V25 HydrophobicContact CB-CG2 4.43Å; H23-V25 PolarHBondContact O-N 2.98Å; V25-I27 HydrophobicContact CG1-CD1 4Å; V25-F34 HydrophobicContact CG1-CB 4.11Å; V25-F34 HydrophobicContact CG1-CD2 4.12Å; V25-F34 HydrophobicContact CG1-CG 4.33Å; V25-V35 CarbonylContact C-O 3.29Å; V25-V35 WeakPolarHBondContact CA-O 3.3Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.18Å
26	T	96.8	Very high	95.3	Very high	88 Å²	88	59.9 Å²	59.9	54%	0.54	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.5	170.7	-56.8	0	0	0	0	109.2	F34 V35	T26-F34 CarbonylContact O-C 3.54Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.38Å; T26-V35 PolarHBondContact N-O 3.14Å; T26-V35 PolarHBondContact O-N 2.83Å
27	I	96.1	Very high	95.4	Very high	62 Å²	62	58.9 Å²	58.9	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136	174.8	-57.8	-54.8	0	0	0	109.5	V15 I19 V25 L31 F34	V15-I27 HydrophobicContact CG1-CD1 4.09Å; I19-I27 HydrophobicContact CD1-CD1 4.1Å; I19-I27 HydrophobicContact CD1-CG1 4.34Å; V25-I27 HydrophobicContact CG1-CD1 4Å; I27-L31 HydrophobicContact CD1-CD2 4.22Å; I27-L31 HydrophobicContact CG1-CD2 4.46Å; I27-F34 HydrophobicContact CD1-CB 3.67Å; I27-F34 HydrophobicContact CD1-CG 4.36Å
28	L	94.2	Very high	95.5	Very high	76 Å²	76	54.8 Å²	54.8	40%	0.398	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-111.5	176.5	-60.6	-177.9	0	0	0	110.3	E33 V35	L28-E33 HydrophobicContact CB-CB 4.47Å; L28-E33 HydrophobicContact CB-CG 3.93Å; L28-E33 WeakPolarHBondContact CB-O 3.39Å; L28-E33 HydrophobicContact CD1-CG 3.77Å; L28-E33 HydrophobicContact CG-CG 4.32Å; L28-E33 PolarHBondContact N-O 3.01Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.12Å; L28-V35 HydrophobicContact CG-CG2 4.05Å
29	S	88.9	Confident	95.6	Very high	95 Å²	95	60.1 Å²	60.1	66%	0.664	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	-24.3	-177.9	67.4	0	0	0	0	113.5	E33	S29-E33 WeakPolarHBondContact CB-OE2 3.49Å; S29-E33 PolarHBondContact OG-OE2 3.43Å
30	G	91.9	Very high	95.7	Very high	20 Å²	20	56.9 Å²	56.9	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	178.6	-179.2	0	0	0	0	0	112.5	N32 E33	G30-N32 PolarHBondContact O-N 3.08Å; G30-E33 CarbonylContact O-C 3.53Å; G30-E33 PolarHBondContact O-N 3.49Å
31	L	92.7	Very high	95.9	Very high	59 Å²	59	50.6 Å²	50.6	31%	0.309	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.4	-179.2	-61.5	-178.7	0	0	0	113.6	D12 V15 I27 E33 F34	D12-L31 HydrophobicContact CB-CD1 4.35Å; V15-L31 HydrophobicContact CB-CB 4.44Å; V15-L31 HydrophobicContact CG1-CB 4.17Å; V15-L31 HydrophobicContact CG1-CD2 3.87Å; V15-L31 VanDerWaalsContact CG2-O 3.27Å; V15-L31 WeakPolarHBondContact CG2-O 3.49Å; I27-L31 HydrophobicContact CD1-CD2 4.22Å; I27-L31 HydrophobicContact CG1-CD2 4.46Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-F34 WeakPolarHBondContact O-CD1 3.35Å
32	N	95.4	Very high	96	Very high	67 Å²	67	56.9 Å²	56.9	36%	0.358	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.2	174.6	65.5	-49.8	0	0	0	113.5	M11 G30 D56 L57	M11-N32 HydrophobicContact CE-CB 4.35Å; M11-N32 HydrophobicContact SD-CB 3.82Å; G30-N32 PolarHBondContact O-N 3.08Å; N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.36Å; N32-L57 HydrophobicContact CB-CB 4.26Å; N32-L57 PolarHBondContact O-N 3.29Å
33	E	97.3	Very high	96.1	Very high	30 Å²	30	53 Å²	53	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	114.1	-178.6	-177.6	-172	-173.1	0	0	109.9	L28 S29 G30 L31 R54 V55 D56	L28-E33 HydrophobicContact CB-CB 4.47Å; L28-E33 HydrophobicContact CB-CG 3.93Å; L28-E33 WeakPolarHBondContact CB-O 3.39Å; L28-E33 HydrophobicContact CD1-CG 3.77Å; L28-E33 HydrophobicContact CG-CG 4.32Å; L28-E33 PolarHBondContact N-O 3.01Å; S29-E33 WeakPolarHBondContact CB-OE2 3.49Å; S29-E33 PolarHBondContact OG-OE2 3.43Å; G30-E33 CarbonylContact O-C 3.53Å; G30-E33 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact C-N 3.31Å; E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 2.77Å; E33-R54 IonicContact OE1-NH1 3.67Å; E33-R54 PolarHBondContact OE1-NH1 3.03Å; E33-R54 IonicContact OE1-NH2 3.67Å; E33-R54 PolarHBondContact OE1-NH2 2.56Å; E33-V55 WeakPolarHBondContact CA-O 3.46Å; E33-D56 WeakPolarHBondContact CG-OD1 3.49Å
34	F	97.7	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.4	-176.6	53.6	-91	0	0	0	111.9	V15 L18 V25 T26 I27 L31 V36 R54 V55 L57 L101	V15-F34 HydrophobicContact CG1-CD1 4.3Å; V15-F34 HydrophobicContact CG1-CE1 4.41Å; V15-F34 HydrophobicContact CG2-CD1 4.46Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; L18-F34 HydrophobicContact CD2-CD2 4.08Å; L18-F34 HydrophobicContact CD2-CE2 3.41Å; L18-F34 VanDerWaalsContact CD2-CE2 3.41Å; L18-F34 HydrophobicContact CD2-CZ 3.97Å; V25-F34 HydrophobicContact CG1-CB 4.11Å; V25-F34 HydrophobicContact CG1-CD2 4.12Å; V25-F34 HydrophobicContact CG1-CG 4.33Å; T26-F34 CarbonylContact O-C 3.54Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.38Å; I27-F34 HydrophobicContact CD1-CB 3.67Å; I27-F34 HydrophobicContact CD1-CG 4.36Å; L31-F34 WeakPolarHBondContact O-CD1 3.35Å; F34-V36 HydrophobicContact CD2-CG2 3.84Å; F34-V36 HydrophobicContact CE2-CG2 4.08Å; F34-R54 WeakPolarHBondContact O-CA 3.47Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.42Å; F34-V55 HydrophobicContact CE1-CG1 4.28Å; F34-V55 HydrophobicContact CE2-CB 3.55Å; F34-V55 HydrophobicContact CE2-CG1 3.92Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.72Å; F34-V55 HydrophobicContact CZ-CG1 3.58Å; F34-V55 HydrophobicContact CZ-CG2 4.47Å; F34-V55 PolarHBondContact N-O 2.81Å; F34-V55 PolarHBondContact O-N 2.88Å; F34-L57 HydrophobicContact CE1-CD1 3.88Å; F34-L57 HydrophobicContact CE1-CD2 4.32Å; F34-L57 HydrophobicContact CE1-CG 3.93Å; F34-L57 HydrophobicContact CZ-CD1 4.49Å; F34-L57 HydrophobicContact CZ-CD2 4.38Å; F34-L57 HydrophobicContact CZ-CG 4.47Å; F34-L101 HydrophobicContact CE1-CD2 4.47Å; F34-L101 HydrophobicContact CZ-CD1 4.44Å; F34-L101 HydrophobicContact CZ-CD2 3.84Å; F34-L101 HydrophobicContact CZ-CG 4.46Å
35	V	98.2	Very high	96.2	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.3	177.4	-179.5	0	0	0	0	108.6	V25 T26 L28 K52 V53 R54 M71	V25-V35 CarbonylContact C-O 3.29Å; V25-V35 WeakPolarHBondContact CA-O 3.3Å; T26-V35 PolarHBondContact N-O 3.14Å; T26-V35 PolarHBondContact O-N 2.83Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.12Å; L28-V35 HydrophobicContact CG-CG2 4.05Å; V35-K52 HydrophobicContact CG1-CB 3.74Å; V35-K52 HydrophobicContact CG1-CG 4.16Å; V35-V53 CarbonylContact C-O 3.57Å; V35-V53 WeakPolarHBondContact CA-O 3.47Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; V35-M71 HydrophobicContact CB-SD 4.43Å; V35-M71 HydrophobicContact CG1-SD 3.94Å; V35-M71 HydrophobicContact CG2-SD 3.54Å; V35-M71 VanDerWaalsContact CG2-SD 3.54Å
36	V	98.2	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.6	176.3	-175.2	0	0	0	0	109.4	L18 H23 E24 V25 F34 F38 V53 F105	L18-V36 HydrophobicContact CD2-CG2 4.14Å; H23-V36 HydrophobicContact CB-CG1 3.88Å; E24-V36 WeakPolarHBondContact O-CA 3.49Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.18Å; F34-V36 HydrophobicContact CD2-CG2 3.84Å; F34-V36 HydrophobicContact CE2-CG2 4.08Å; V36-F38 PolarHBondContact O-N 3.07Å; V36-V53 PolarHBondContact N-O 2.82Å; V36-V53 PolarHBondContact O-N 2.98Å; V36-F105 HydrophobicContact CB-CD1 4.25Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.48Å; V36-F105 VanDerWaalsContact CB-CZ 3.48Å; V36-F105 HydrophobicContact CG1-CD1 4.05Å; V36-F105 HydrophobicContact CG1-CD2 4.32Å; V36-F105 HydrophobicContact CG1-CE1 3.9Å; V36-F105 HydrophobicContact CG1-CE2 4.19Å; V36-F105 HydrophobicContact CG1-CG 4.25Å; V36-F105 HydrophobicContact CG1-CZ 3.96Å; V36-F105 HydrophobicContact CG2-CE1 4.03Å; V36-F105 HydrophobicContact CG2-CE2 3.67Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å
37	K	97.9	Very high	96.4	Very high	42 Å²	42	49 Å²	49	18%	0.183	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.5	170.4	-162.4	176	178	-172.5	0	109.6	E24 Y39 V50 E151	E24-K37 HydrophobicContact CB-CB 3.91Å; E24-K37 PolarHBondContact O-N 3.29Å; E24-K37 WeakPolarHBondContact OE2-CD 3.46Å; K37-Y39 WeakPolarHBondContact CD-OH 3.44Å; K37-Y39 VanDerWaalsContact CE-OH 3.27Å; K37-Y39 WeakPolarHBondContact CE-OH 3.43Å; K37-Y39 HydrophobicContact CG-CE2 4.44Å; K37-Y39 PolarHBondContact NZ-OH 2.93Å; K37-V50 HydrophobicContact CD-CG1 4.22Å; K37-V50 HydrophobicContact CG-CG1 3.86Å; K37-E151 WeakPolarHBondContact CE-OE1 3.5Å; K37-E151 WeakPolarHBondContact CE-OE2 3.25Å; K37-E151 IonicContact NZ-OE1 2.81Å; K37-E151 PolarHBondContact NZ-OE1 3.28Å; K37-E151 IonicContact NZ-OE2 3.64Å; K37-E151 PolarHBondContact NZ-OE2 2.84Å
38	F	98.3	Very high	96.4	Very high	10 Å²	10	49 Å²	49	4%	0.044	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.4	-174.7	176.8	-104.2	0	0	0	110.5	V36 W51 V53 F70 F105 L109 P110 L113	V36-F38 PolarHBondContact O-N 3.07Å; F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 3.06Å; F38-W51 PolarHBondContact O-N 2.81Å; F38-V53 HydrophobicContact CB-CG2 3.64Å; F38-V53 HydrophobicContact CD1-CG2 4.37Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; F38-F70 HydrophobicContact CD1-CE1 4.18Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-L109 HydrophobicContact CD2-CD1 4.31Å; F38-L109 HydrophobicContact CE1-CB 4.43Å; F38-L109 HydrophobicContact CE2-CB 3.86Å; F38-L109 HydrophobicContact CE2-CD1 4.37Å; F38-L109 HydrophobicContact CZ-CB 3.76Å; F38-P110 HydrophobicContact CE2-CG 4.19Å; F38-P110 HydrophobicContact CZ-CG 4.37Å; F38-L113 HydrophobicContact CE1-CD2 3.78Å; F38-L113 HydrophobicContact CZ-CD2 4.3Å
39	Y	98.1	Very high	96.6	Very high	113 Å²	113	45.3 Å²	45.3	44%	0.443	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.8	178.7	-59.4	-87.1	0	0	0	109.6	E24 K37 V50	E24-Y39 PolarHBondContact OE1-OH 2.95Å; K37-Y39 WeakPolarHBondContact CD-OH 3.44Å; K37-Y39 VanDerWaalsContact CE-OH 3.27Å; K37-Y39 WeakPolarHBondContact CE-OH 3.43Å; K37-Y39 HydrophobicContact CG-CE2 4.44Å; K37-Y39 PolarHBondContact NZ-OH 2.93Å; Y39-V50 HydrophobicContact CD1-CG1 4.32Å; Y39-V50 HydrophobicContact CD1-CG2 3.89Å; Y39-V50 HydrophobicContact CE1-CG1 4.12Å; Y39-V50 HydrophobicContact CE1-CG2 4.03Å
40	G	97.9	Very high	97	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.2	137.2	178.3	0	0	0	0	0	112.3	Y46 G49	G40-Y46 WeakPolarHBondContact CA-O 3.3Å; G40-G49 PolarHBondContact N-O 2.67Å
41	P	98	Very high	97.3	Very high	22 Å²	22	40.5 Å²	40.5	14%	0.143	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.5	139.3	-176	24.2	-31.7	0	0	0	112.3	T44 P110 L113	P41-T44 HydrophobicContact CB-CG2 4Å; P41-T44 HydrophobicContact CG-CG2 3.71Å; P41-T44 WeakPolarHBondContact CG-OG1 3.27Å; P41-T44 PolarHBondContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 3.09Å; P41-P110 HydrophobicContact CB-CB 4.15Å; P41-P110 HydrophobicContact CG-CB 4.48Å; P41-L113 HydrophobicContact CG-CB 3.97Å; P41-L113 HydrophobicContact CG-CD2 4.29Å
42	Q	96.3	Very high	97.6	Very high	170 Å²	170	39.9 Å²	39.9	79%	0.794	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	146.3	176.6	-66.4	-179.9	-0	0	0	111.7	T44	Q42-T44 PolarHBondContact O-N 2.97Å
43	G	95.1	Very high	97.8	Very high	76 Å²	76	36.7 Å²	36.7	78%	0.784	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	8.8	-178.7	0	0	0	0	0	114	E47	G43-E47 PolarHBondContact N-OE2 3.32Å
44	T	97.4	Very high	97.8	Very high	22 Å²	22	39.4 Å²	39.4	14%	0.135	22%	0.222	C	C	.	.	S	Bend	trans	-115.1	164.4	176.1	79.2	0	0	0	0	110.8	P41 Q42 Y46 E47 A114	P41-T44 HydrophobicContact CB-CG2 4Å; P41-T44 HydrophobicContact CG-CG2 3.71Å; P41-T44 WeakPolarHBondContact CG-OG1 3.27Å; P41-T44 PolarHBondContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 3.09Å; Q42-T44 PolarHBondContact O-N 2.97Å; T44-Y46 PolarHBondContact O-N 3.44Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 3.41Å; T44-E47 WeakPolarHBondContact O-CB 3.33Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.14Å; T44-A114 HydrophobicContact CG2-CB 3.88Å
45	P	97.5	Very high	97.8	Very high	34 Å²	34	39.4 Å²	39.4	22%	0.221	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	174.4	-19.7	32.9	0	0	0	113.6	K138 I141 I145	P45-K138 HydrophobicContact CB-CB 4.49Å; P45-K138 HydrophobicContact CB-CG 4.16Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P45-I141 HydrophobicContact CB-CB 4.28Å; P45-I141 HydrophobicContact CB-CD1 3.77Å; P45-I141 HydrophobicContact CB-CG2 4.13Å; P45-I141 HydrophobicContact CG-CD1 4.37Å; P45-I141 VanDerWaalsContact O-CG2 3.27Å; P45-I141 WeakPolarHBondContact O-CG2 3.41Å; P45-I145 WeakPolarHBondContact O-CD1 3.4Å
46	Y	98.4	Very high	97.8	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.1	-179	-59.7	-82.8	0	0	0	113.6	G40 T44 G48 G49 W51 I74 F75 H76 L113 Y137 I141	G40-Y46 WeakPolarHBondContact CA-O 3.3Å; T44-Y46 PolarHBondContact O-N 3.44Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 3.41Å; Y46-G48 PolarHBondContact O-N 3.13Å; Y46-G49 PolarHBondContact O-N 2.6Å; Y46-G49 VanDerWaalsContact O-N 3.07Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.22Å; Y46-W51 HydrophobicContact CG-CH2 4.43Å; Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.93Å; Y46-I74 HydrophobicContact CE1-CG1 3.86Å; Y46-F75 PolarHBondContact OH-O 3.19Å; Y46-H76 AromaticContact CZ-CD2 3.75Å; Y46-H76 WeakPolarHBondContact OH-CB 3.45Å; Y46-H76 PolarHBondContact OH-CD2 3.22Å; Y46-L113 HydrophobicContact CD1-CD2 4.03Å; Y46-L113 HydrophobicContact CD1-CG 4.24Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 4Å; Y46-L113 HydrophobicContact CD2-CG 3.77Å; Y46-L113 HydrophobicContact CE1-CG 4.41Å; Y46-L113 HydrophobicContact CE2-CB 3.99Å; Y46-L113 HydrophobicContact CE2-CG 3.97Å; Y46-L113 VanDerWaalsContact CE2-O 3.22Å; Y46-L113 WeakPolarHBondContact CE2-O 3.26Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.68Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; Y46-Y137 PolarHBondContact OH-OH 3.15Å; Y46-I141 HydrophobicContact CD1-CG2 3.74Å; Y46-I141 HydrophobicContact CE1-CD1 3.96Å; Y46-I141 HydrophobicContact CE1-CG1 4.17Å; Y46-I141 HydrophobicContact CE1-CG2 3.86Å; Y46-I141 HydrophobicContact CE2-CD1 3.98Å; Y46-I141 HydrophobicContact CG-CG2 4.27Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.32Å
47	E	98.1	Very high	97.8	Very high	107 Å²	107	41.1 Å²	41.1	50%	0.5	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.7	-178.5	-176.1	176.7	157.5	0	0	111.9	G43 T44 G49	G43-E47 PolarHBondContact N-OE2 3.32Å; T44-E47 WeakPolarHBondContact O-CB 3.33Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.14Å; E47-G49 PolarHBondContact O-N 3.2Å
48	G	96.8	Very high	97.7	Very high	62 Å²	62	41 Å²	41	64%	0.639	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	-9.8	-178.5	0	0	0	0	0	114.8	Y46	Y46-G48 PolarHBondContact O-N 3.13Å
49	G	98.1	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.			trans	-77.3	150.3	171.6	0	0	0	0	0	113.1	G40 Y46 E47 W51 A149	G40-G49 PolarHBondContact N-O 2.67Å; Y46-G49 PolarHBondContact O-N 2.6Å; Y46-G49 VanDerWaalsContact O-N 3.07Å; E47-G49 PolarHBondContact O-N 3.2Å; G49-W51 VanDerWaalsContact C-CZ3 3.4Å; G49-W51 WeakPolarHBondContact O-CZ3 3.38Å; G49-A149 CarbonylContact C-O 3.54Å; G49-A149 WeakPolarHBondContact CA-O 3.24Å
50	V	98.3	Very high	97.4	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	179.9	-170.8	0	0	0	0	109.2	K37 Y39 N72 A149 E151 L154	K37-V50 HydrophobicContact CD-CG1 4.22Å; K37-V50 HydrophobicContact CG-CG1 3.86Å; Y39-V50 HydrophobicContact CD1-CG1 4.32Å; Y39-V50 HydrophobicContact CD1-CG2 3.89Å; Y39-V50 HydrophobicContact CE1-CG1 4.12Å; Y39-V50 HydrophobicContact CE1-CG2 4.03Å; V50-N72 PolarHBondContact O-ND2 2.87Å; V50-N72 VanDerWaalsContact O-ND2 3.1Å; V50-A149 PolarHBondContact N-O 3.47Å; V50-A149 WeakPolarHBondContact O-CA 3.32Å; V50-A149 WeakPolarHBondContact O-CB 3.34Å; V50-E151 HydrophobicContact CG2-CG 4.41Å; V50-L154 HydrophobicContact CB-CD1 4.07Å; V50-L154 HydrophobicContact CG1-CD1 3.66Å
51	W	98.6	Very high	97.3	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	-179.3	-67.1	-89.7	0	0	0	112.5	F38 Y46 G49 V53 F70 N72 K73 I74 I145 A149	F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 3.06Å; F38-W51 PolarHBondContact O-N 2.81Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.22Å; Y46-W51 HydrophobicContact CG-CH2 4.43Å; G49-W51 VanDerWaalsContact C-CZ3 3.4Å; G49-W51 WeakPolarHBondContact O-CZ3 3.38Å; W51-V53 HydrophobicContact CB-CG2 4.35Å; W51-F70 HydrophobicContact CB-CD1 3.66Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.66Å; W51-F70 HydrophobicContact CD2-CD1 4.36Å; W51-F70 HydrophobicContact CD2-CE1 4.26Å; W51-F70 AromaticContact CG-CD1 3.61Å; W51-F70 HydrophobicContact CG-CD1 3.61Å; W51-F70 AromaticContact CG-CE1 3.89Å; W51-F70 HydrophobicContact CG-CE1 3.89Å; W51-N72 WeakPolarHBondContact CA-OD1 3.45Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; W51-K73 PolarHBondContact NE1-O 2.84Å; W51-K73 VanDerWaalsContact NE1-O 3.11Å; W51-I74 HydrophobicContact CD2-CD1 4.42Å; W51-I74 HydrophobicContact CZ2-CD1 4.11Å; W51-I74 HydrophobicContact CZ2-CG1 4.13Å; W51-I145 HydrophobicContact CH2-CD1 4.24Å; W51-I145 HydrophobicContact CH2-CG1 3.94Å; W51-I145 HydrophobicContact CZ2-CG1 3.97Å; W51-A149 HydrophobicContact CD2-CB 4.08Å; W51-A149 VanDerWaalsContact CE2-CB 3.48Å; W51-A149 HydrophobicContact CG-CB 4.42Å; W51-A149 HydrophobicContact CH2-CB 4.47Å; W51-A149 HydrophobicContact CZ2-CB 3.73Å
52	K	98.2	Very high	97.2	Very high	46 Å²	46	48.8 Å²	48.8	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.2	164.1	-75.3	175.6	-177.8	170.1	0	108.2	V35 M71 N72 L154 E158	V35-K52 HydrophobicContact CG1-CB 3.74Å; V35-K52 HydrophobicContact CG1-CG 4.16Å; K52-M71 HydrophobicContact CB-CB 4.03Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.23Å; K52-M71 WeakPolarHBondContact O-CB 3.21Å; K52-M71 PolarHBondContact O-N 2.97Å; K52-N72 PolarHBondContact N-OD1 3.35Å; K52-L154 HydrophobicContact CD-CD2 4.3Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.62Å; K52-E158 PolarHBondContact NZ-OE1 3.47Å
53	V	98.5	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.3	-178.6	179.8	0	0	0	0	108.7	V35 V36 F38 W51 V55 I68 G69 F70 F105 L109	V35-V53 CarbonylContact C-O 3.57Å; V35-V53 WeakPolarHBondContact CA-O 3.47Å; V36-V53 PolarHBondContact N-O 2.82Å; V36-V53 PolarHBondContact O-N 2.98Å; F38-V53 HydrophobicContact CB-CG2 3.64Å; F38-V53 HydrophobicContact CD1-CG2 4.37Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; W51-V53 HydrophobicContact CB-CG2 4.35Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V53-I68 HydrophobicContact CG1-CG2 3.47Å; V53-I68 VanDerWaalsContact CG1-CG2 3.47Å; V53-G69 CarbonylContact C-O 3.28Å; V53-G69 WeakPolarHBondContact CA-O 3.47Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.43Å; V53-F70 HydrophobicContact CG2-CZ 4.09Å; V53-F105 HydrophobicContact CB-CE1 4.04Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V53-L109 HydrophobicContact CG1-CD1 4.18Å; V53-L109 HydrophobicContact CG2-CD1 4.48Å
54	R	98.3	Very high	97.3	Very high	88 Å²	88	51 Å²	51	33%	0.332	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.6	172.9	177.8	179.3	164.7	151.8	7.3	109.8	E33 F34 V35 D56 I68 G69 M71	E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 2.77Å; E33-R54 IonicContact OE1-NH1 3.67Å; E33-R54 PolarHBondContact OE1-NH1 3.03Å; E33-R54 IonicContact OE1-NH2 3.67Å; E33-R54 PolarHBondContact OE1-NH2 2.56Å; F34-R54 WeakPolarHBondContact O-CA 3.47Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; R54-D56 IonicContact CZ-OD1 2.7Å; R54-D56 IonicContact CZ-OD2 2.68Å; R54-D56 IonicContact NE-OD1 3.01Å; R54-D56 PolarHBondContact NE-OD1 2.88Å; R54-D56 IonicContact NE-OD2 3.82Å; R54-D56 PolarHBondContact NE-OD2 3.42Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 2.96Å; R54-D56 IonicContact NH2-OD2 2.56Å; R54-I68 WeakPolarHBondContact O-CA 3.42Å; R54-G69 PolarHBondContact N-O 2.88Å; R54-G69 PolarHBondContact O-N 3.23Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.15Å
55	V	98.3	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.5	175	-179.1	0	0	0	0	109	E33 F34 V53 L57 P66 S67 F105	E33-V55 WeakPolarHBondContact CA-O 3.46Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.42Å; F34-V55 HydrophobicContact CE1-CG1 4.28Å; F34-V55 HydrophobicContact CE2-CB 3.55Å; F34-V55 HydrophobicContact CE2-CG1 3.92Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.72Å; F34-V55 HydrophobicContact CZ-CG1 3.58Å; F34-V55 HydrophobicContact CZ-CG2 4.47Å; F34-V55 PolarHBondContact N-O 2.81Å; F34-V55 PolarHBondContact O-N 2.88Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; V55-P66 HydrophobicContact CG1-CB 3.85Å; V55-S67 WeakPolarHBondContact CA-O 3.37Å; V55-F105 HydrophobicContact CG2-CZ 3.72Å
56	D	98.1	Very high	97.3	Very high	41 Å²	41	49 Å²	49	22%	0.219	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	173.4	-56.4	-104.1	0	0	0	109.6	N32 E33 R54 P66 S67	N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.36Å; E33-D56 WeakPolarHBondContact CG-OD1 3.49Å; R54-D56 IonicContact CZ-OD1 2.7Å; R54-D56 IonicContact CZ-OD2 2.68Å; R54-D56 IonicContact NE-OD1 3.01Å; R54-D56 PolarHBondContact NE-OD1 2.88Å; R54-D56 IonicContact NE-OD2 3.82Å; R54-D56 PolarHBondContact NE-OD2 3.42Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 2.96Å; R54-D56 IonicContact NH2-OD2 2.56Å; D56-P66 WeakPolarHBondContact O-CA 3.45Å; D56-S67 WeakPolarHBondContact CB-OG 3.43Å; D56-S67 PolarHBondContact N-O 3.32Å; D56-S67 PolarHBondContact O-N 3.25Å
57	L	97.6	Very high	97.3	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	27%	0.266	C	S	.	.			trans	-95.8	121.6	178.8	-52.5	-173.1	0	0	0	109.6	M11 V15 N32 F34 V55 Y61 P66 L101	M11-L57 HydrophobicContact CE-CB 3.91Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.4Å; M11-L57 HydrophobicContact SD-CD1 4.36Å; V15-L57 HydrophobicContact CG2-CD1 3.63Å; N32-L57 HydrophobicContact CB-CB 4.26Å; N32-L57 PolarHBondContact O-N 3.29Å; F34-L57 HydrophobicContact CE1-CD1 3.88Å; F34-L57 HydrophobicContact CE1-CD2 4.32Å; F34-L57 HydrophobicContact CE1-CG 3.93Å; F34-L57 HydrophobicContact CZ-CD1 4.49Å; F34-L57 HydrophobicContact CZ-CD2 4.38Å; F34-L57 HydrophobicContact CZ-CG 4.47Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CB-CG 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.09Å; L57-Y61 HydrophobicContact CD2-CE2 4Å; L57-P66 HydrophobicContact CD2-CB 3.68Å; L57-L101 HydrophobicContact CD2-CD1 4.1Å
58	P	96.8	Very high	97.3	Very high	40 Å²	40	46.7 Å²	46.7	26%	0.26	24%	0.243	S	C	.	.			trans	-74.2	160.8	-178.9	31	-36.6	0	0	0	112.1	K60 Y61 K64 S65	P58-K60 PolarHBondContact O-N 3.18Å; P58-Y61 WeakPolarHBondContact O-CB 3.48Å; P58-Y61 PolarHBondContact O-N 3.25Å; P58-K64 HydrophobicContact CB-CB 4.36Å; P58-K64 HydrophobicContact CG-CB 3.6Å; P58-S65 WeakPolarHBondContact CD-O 3.49Å; P58-S65 WeakPolarHBondContact CG-O 3.33Å
59	D	94.2	Very high	97.4	Very high	163 Å²	163	44.3 Å²	44.3	87%	0.872	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.1	177	-67.1	-20.4	0	0	0	114.3	Y61	D59-Y61 VanDerWaalsContact C-N 3.34Å
60	K	94.9	Very high	97.4	Very high	141 Å²	141	44.5 Å²	44.5	61%	0.613	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	13.8	179.8	-63.2	-172.9	179.7	-176.1	0	113.3	P58 F63 K64	P58-K60 PolarHBondContact O-N 3.18Å; K60-F63 WeakPolarHBondContact O-CB 3.49Å; K60-F63 PolarHBondContact O-N 3.09Å; K60-K64 HydrophobicContact CB-CB 4.25Å; K60-K64 HydrophobicContact CB-CD 4.12Å; K60-K64 HydrophobicContact CB-CG 3.95Å; K60-K64 HydrophobicContact CD-CD 4.37Å; K60-K64 PolarHBondContact O-N 3.25Å; K60-K64 VanDerWaalsContact O-N 3.14Å
61	Y	96.3	Very high	97.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.008	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	140	173.3	-177.6	-90.9	0	0	0	111.4	G7 R10 M11 D14 L57 P58 D59 W95	G7-Y61 WeakPolarHBondContact CA-O 3.36Å; R10-Y61 HydrophobicContact CG-CE1 4.2Å; M11-Y61 HydrophobicContact CB-CD1 3.84Å; M11-Y61 HydrophobicContact CB-CE1 4.25Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.35Å; D14-Y61 PolarHBondContact OD2-OH 3Å; L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CB-CG 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.09Å; L57-Y61 HydrophobicContact CD2-CE2 4Å; P58-Y61 WeakPolarHBondContact O-CB 3.48Å; P58-Y61 PolarHBondContact O-N 3.25Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.55Å; Y61-W95 HydrophobicContact CE2-CH2 3.55Å; Y61-W95 AromaticContact CE2-CZ2 3.4Å; Y61-W95 HydrophobicContact CE2-CZ2 3.4Å
62	P	96.1	Very high	97.3	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.078	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	6.5	1.1	37.8	-38.5	0	0	0	114.6	R10 K64 W95 A97	R10-P62 HydrophobicContact CG-CG 4.07Å; P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 CarbonylContact C-O 3.5Å; P62-K64 PolarHBondContact O-N 3.32Å; P62-W95 HydrophobicContact CB-CZ2 4.18Å; P62-W95 PolarHBondContact O-NE1 2.93Å; P62-A97 HydrophobicContact CG-CB 4.2Å; P62-A97 WeakPolarHBondContact CG-O 3.38Å
63	F	95.4	Very high	97.3	Very high	173 Å²	173	50.7 Å²	50.7	76%	0.759	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.5	-179.8	-60.3	-72.1	0	0	0	112.9	K60 A97	K60-F63 WeakPolarHBondContact O-CB 3.49Å; K60-F63 PolarHBondContact O-N 3.09Å; F63-A97 HydrophobicContact CD1-CB 4.02Å; F63-A97 HydrophobicContact CE1-CB 4.28Å
64	K	96.5	Very high	97.3	Very high	119 Å²	119	50.8 Å²	50.8	52%	0.517	25%	0.25	S	C	.	.	S	Bend	trans	-101	139.8	162.2	-74.2	-165.1	170.1	-165.9	0	109.6	P58 K60 P62	P58-K64 HydrophobicContact CB-CB 4.36Å; P58-K64 HydrophobicContact CG-CB 3.6Å; K60-K64 HydrophobicContact CB-CB 4.25Å; K60-K64 HydrophobicContact CB-CD 4.12Å; K60-K64 HydrophobicContact CB-CG 3.95Å; K60-K64 HydrophobicContact CD-CD 4.37Å; K60-K64 PolarHBondContact O-N 3.25Å; K60-K64 VanDerWaalsContact O-N 3.14Å; P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 CarbonylContact C-O 3.5Å; P62-K64 PolarHBondContact O-N 3.32Å
65	S	97.4	Very high	97.3	Very high	14 Å²	14	46.7 Å²	46.7	10%	0.098	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64.8	154.3	175.4	50.4	0	0	0	0	112	P58 N92 W95	P58-S65 WeakPolarHBondContact CD-O 3.49Å; P58-S65 WeakPolarHBondContact CG-O 3.33Å; S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 3.12Å; S65-W95 VanDerWaalsContact CA-CD1 3.48Å
66	P	97.9	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-66.8	152	167	29.5	-34.1	0	0	0	111	V55 D56 L57 W95 I104	V55-P66 HydrophobicContact CG1-CB 3.85Å; D56-P66 WeakPolarHBondContact O-CA 3.45Å; L57-P66 HydrophobicContact CD2-CB 3.68Å; P66-W95 HydrophobicContact CG-CE3 4.12Å; P66-W95 HydrophobicContact CG-CH2 4.26Å; P66-W95 HydrophobicContact CG-CZ3 3.94Å; P66-I104 HydrophobicContact CG-CD1 3.67Å
67	S	98	Very high	97.3	Very high	56 Å²	56	44.7 Å²	44.7	39%	0.392	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.7	160.9	49.1	0	0	0	0	109.7	V55 D56	V55-S67 WeakPolarHBondContact CA-O 3.37Å; D56-S67 WeakPolarHBondContact CB-OG 3.43Å; D56-S67 PolarHBondContact N-O 3.32Å; D56-S67 PolarHBondContact O-N 3.25Å
68	I	98.6	Very high	97.3	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.1	-175.8	-56	168.6	0	0	0	108.1	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 3.42Å; I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.05Å; I68-V86 HydrophobicContact CG2-CG2 3.87Å; I68-V86 PolarHBondContact O-N 3.22Å; I68-I91 HydrophobicContact CB-CD1 4.19Å; I68-I91 HydrophobicContact CD1-CD1 4.04Å; I68-I91 HydrophobicContact CD1-CG1 4.3Å; I68-I91 HydrophobicContact CG1-CD1 4.09Å; I68-I104 HydrophobicContact CD1-CD1 4.31Å; I68-I104 HydrophobicContact CD1-CG2 3.63Å; I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; I68-L109 HydrophobicContact CG2-CD2 4.4Å
69	G	98.3	Very high	97.4	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.9	179.3	0	0	0	0	0	112.8	V53 R54 G84	V53-G69 CarbonylContact C-O 3.28Å; V53-G69 WeakPolarHBondContact CA-O 3.47Å; R54-G69 PolarHBondContact N-O 2.88Å; R54-G69 PolarHBondContact O-N 3.23Å; G69-G84 CarbonylContact C-O 3.54Å; G69-G84 WeakPolarHBondContact CA-O 3.42Å
70	F	98.5	Very high	97.6	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117	172.1	-75.4	-103.6	0	0	0	109.6	F38 W51 V53 I74 I79 G84 V86 L109 L113	F38-F70 HydrophobicContact CD1-CE1 4.18Å; W51-F70 HydrophobicContact CB-CD1 3.66Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.66Å; W51-F70 HydrophobicContact CD2-CD1 4.36Å; W51-F70 HydrophobicContact CD2-CE1 4.26Å; W51-F70 AromaticContact CG-CD1 3.61Å; W51-F70 HydrophobicContact CG-CD1 3.61Å; W51-F70 AromaticContact CG-CE1 3.89Å; W51-F70 HydrophobicContact CG-CE1 3.89Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.43Å; V53-F70 HydrophobicContact CG2-CZ 4.09Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.26Å; F70-I74 HydrophobicContact CD1-CD1 3.9Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.61Å; F70-I74 HydrophobicContact CG-CB 4.45Å; F70-I74 HydrophobicContact CG-CG2 3.72Å; F70-I74 HydrophobicContact CZ-CD1 4Å; F70-I79 HydrophobicContact CD2-CD1 3.77Å; F70-I79 HydrophobicContact CD2-CG2 4.24Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; F70-G84 PolarHBondContact N-O 3.2Å; F70-G84 WeakPolarHBondContact O-CA 3.33Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; F70-L109 HydrophobicContact CE2-CD2 4.11Å; F70-L109 HydrophobicContact CZ-CD2 4.18Å; F70-L113 HydrophobicContact CZ-CD1 4.38Å
71	M	97.7	Very high	97.6	Very high	107 Å²	107	33 Å²	33	53%	0.527	16%	0.164	S	C	.	.	S	Bend	trans	-74.3	-36.4	-176.3	-62.4	-171.7	70.1	0	0	112.5	V35 K52 R54	V35-M71 HydrophobicContact CB-SD 4.43Å; V35-M71 HydrophobicContact CG1-SD 3.94Å; V35-M71 HydrophobicContact CG2-SD 3.54Å; V35-M71 VanDerWaalsContact CG2-SD 3.54Å; K52-M71 HydrophobicContact CB-CB 4.03Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.23Å; K52-M71 WeakPolarHBondContact O-CB 3.21Å; K52-M71 PolarHBondContact O-N 2.97Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.15Å
72	N	97.4	Very high	97.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.199	C	C	.	.	S	Bend	trans	-98.9	152.7	169.9	62.6	-55.1	0	0	0	110.3	V50 W51 K52 Y148 L154	V50-N72 PolarHBondContact O-ND2 2.87Å; V50-N72 VanDerWaalsContact O-ND2 3.1Å; W51-N72 WeakPolarHBondContact CA-OD1 3.45Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; K52-N72 PolarHBondContact N-OD1 3.35Å; N72-Y148 WeakPolarHBondContact CB-O 3.49Å; N72-Y148 PolarHBondContact ND2-O 3.46Å; N72-L154 HydrophobicContact CB-CD2 4.06Å
73	K	97.8	Very high	97.6	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	22%	0.218	S	C	.	.			trans	-61.6	140.1	-168	-71.4	-177.5	172.9	-70.3	0	112.6	W51 E81 Y144 Y148	W51-K73 PolarHBondContact NE1-O 2.84Å; W51-K73 VanDerWaalsContact NE1-O 3.11Å; K73-E81 PolarHBondContact NZ-O 3.45Å; K73-Y144 HydrophobicContact CB-CD1 4.45Å; K73-Y148 HydrophobicContact CB-CD1 4.34Å; K73-Y148 HydrophobicContact CB-CD2 3.81Å; K73-Y148 HydrophobicContact CB-CE2 4.35Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.15Å; K73-Y148 HydrophobicContact CD-CD2 4.22Å; K73-Y148 HydrophobicContact CD-CE1 3.87Å; K73-Y148 HydrophobicContact CD-CE2 3.97Å; K73-Y148 HydrophobicContact CD-CG 4.31Å; K73-Y148 HydrophobicContact CG-CG 4.45Å
74	I	98.4	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.01	19%	0.185	C	C	.	.			trans	-137.1	143.3	172.5	-171.4	167.3	0	0	0	109	Y46 W51 F70 H76 I79 L113	Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.93Å; Y46-I74 HydrophobicContact CE1-CG1 3.86Å; W51-I74 HydrophobicContact CD2-CD1 4.42Å; W51-I74 HydrophobicContact CZ2-CD1 4.11Å; W51-I74 HydrophobicContact CZ2-CG1 4.13Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.26Å; F70-I74 HydrophobicContact CD1-CD1 3.9Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.61Å; F70-I74 HydrophobicContact CG-CB 4.45Å; F70-I74 HydrophobicContact CG-CG2 3.72Å; F70-I74 HydrophobicContact CZ-CD1 4Å; I74-H76 HydrophobicContact CG1-CB 4.45Å; I74-I79 HydrophobicContact CD1-CD1 4.06Å; I74-I79 HydrophobicContact CG2-CB 4.23Å; I74-I79 HydrophobicContact CG2-CD1 3.88Å; I74-I79 HydrophobicContact CG2-CG2 3.69Å; I74-L113 HydrophobicContact CD1-CD1 4.49Å; I74-L113 HydrophobicContact CD1-CD2 4.36Å
75	F	98.4	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	18%	0.179	C	C	.	.			trans	-106.9	99.4	177.8	-172.4	-108.4	0	0	0	109.6	Y46 E81 D125 A126 M129 Y137 K140 I141 Y144	Y46-F75 PolarHBondContact OH-O 3.19Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.41Å; F75-D125 HydrophobicContact CE2-CB 4.35Å; F75-D125 HydrophobicContact CZ-CB 4.25Å; F75-A126 HydrophobicContact CD1-CB 4.06Å; F75-A126 HydrophobicContact CD2-CB 4.27Å; F75-A126 HydrophobicContact CE1-CB 3.63Å; F75-A126 HydrophobicContact CE2-CB 3.83Å; F75-A126 HydrophobicContact CG-CB 4.37Å; F75-A126 HydrophobicContact CZ-CB 3.51Å; F75-M129 HydrophobicContact CE1-SD 3.87Å; F75-M129 HydrophobicContact CZ-SD 3.89Å; F75-Y137 HydrophobicContact CD1-CD2 4.2Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CE2 4.18Å; F75-K140 HydrophobicContact CD1-CB 4.42Å; F75-K140 HydrophobicContact CD1-CD 4.03Å; F75-K140 HydrophobicContact CD1-CG 4.02Å; F75-K140 HydrophobicContact CD2-CD 4.37Å; F75-K140 HydrophobicContact CE1-CB 4.41Å; F75-K140 HydrophobicContact CE1-CD 3.62Å; F75-K140 HydrophobicContact CE1-CG 4.08Å; F75-K140 HydrophobicContact CE2-CD 4.03Å; F75-K140 VanDerWaalsContact CE2-CE 3.48Å; F75-K140 HydrophobicContact CG-CD 4.38Å; F75-K140 HydrophobicContact CG-CG 4.36Å; F75-K140 HydrophobicContact CZ-CD 3.61Å; F75-K140 HydrophobicContact CZ-CG 4.49Å; F75-I141 HydrophobicContact CB-CG1 4.46Å; F75-I141 HydrophobicContact CD1-CG1 4.2Å; F75-Y144 HydrophobicContact CB-CD1 3.74Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.9Å; F75-Y144 HydrophobicContact CB-CG 4.01Å; F75-Y144 HydrophobicContact CD2-CE1 4.28Å; F75-Y144 HydrophobicContact CG-CE1 4.48Å
76	H	98.4	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.			trans	-148.7	140.2	-173.9	-177.2	-79.3	0	0	0	111.6	Y46 I74 N78 I79 L112 N123	Y46-H76 AromaticContact CZ-CD2 3.75Å; Y46-H76 WeakPolarHBondContact OH-CB 3.45Å; Y46-H76 PolarHBondContact OH-CD2 3.22Å; I74-H76 HydrophobicContact CG1-CB 4.45Å; H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.86Å; H76-N78 PolarHBondContact ND1-N 3.4Å; H76-N78 PolarHBondContact O-N 3.4Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.9Å; H76-I79 PolarHBondContact O-N 3.35Å; H76-I79 VanDerWaalsContact O-N 3.15Å; H76-I79 VanDerWaalsContact O-O 3.06Å; H76-L112 PolarHBondContact NE2-O 3.07Å; H76-N123 WeakPolarHBondContact O-CB 3.35Å
77	P	98.2	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.2	-177.2	-30.3	37.2	0	0	0	115.5	P116 P121 L122 N123 A126 A127 Y137	P77-P116 HydrophobicContact CB-CB 4.05Å; P77-P116 HydrophobicContact CG-CB 3.64Å; P77-P116 HydrophobicContact CG-CG 4.15Å; P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.55Å; P77-P121 WeakPolarHBondContact O-CA 3.42Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P77-L122 PolarHBondContact O-N 2.84Å; P77-N123 PolarHBondContact O-N 3.08Å; P77-A126 HydrophobicContact CG-CB 4.11Å; P77-A127 HydrophobicContact CB-CB 4.09Å; P77-A127 HydrophobicContact CG-CB 4.48Å; P77-Y137 VanDerWaalsContact CD-OH 3.3Å; P77-Y137 WeakPolarHBondContact CD-OH 3.47Å
78	N	98.3	Very high	97.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	15.6	-177.9	-49.9	108.4	0	0	0	114.6	H76 C87 V90 L112 N117	H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.86Å; H76-N78 PolarHBondContact ND1-N 3.4Å; H76-N78 PolarHBondContact O-N 3.4Å; N78-C87 HydrophobicContact CB-CB 4.33Å; N78-C87 PolarHBondContact O-N 2.62Å; N78-V90 HydrophobicContact CB-CG2 4.27Å; N78-L112 HydrophobicContact CB-CD1 4.21Å; N78-N117 PolarHBondContact ND2-O 2.87Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.85Å
79	I	98.3	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-125.9	126.9	178.3	-53.3	176.9	0	0	0	108	F70 I74 H76 E81 G84 T85 V86	F70-I79 HydrophobicContact CD2-CD1 3.77Å; F70-I79 HydrophobicContact CD2-CG2 4.24Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; I74-I79 HydrophobicContact CD1-CD1 4.06Å; I74-I79 HydrophobicContact CG2-CB 4.23Å; I74-I79 HydrophobicContact CG2-CD1 3.88Å; I74-I79 HydrophobicContact CG2-CG2 3.69Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.9Å; H76-I79 PolarHBondContact O-N 3.35Å; H76-I79 VanDerWaalsContact O-N 3.15Å; H76-I79 VanDerWaalsContact O-O 3.06Å; I79-E81 PolarHBondContact O-N 3.07Å; I79-G84 VanDerWaalsContact CG2-O 3.26Å; I79-G84 WeakPolarHBondContact CG2-O 3.41Å; I79-T85 WeakPolarHBondContact CA-O 3.49Å; I79-V86 HydrophobicContact CD1-CG2 4.37Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å
80	D	97.9	Very high	97	Very high	52 Å²	52	36.5 Å²	36.5	28%	0.278	21%	0.21	S	C	.	.			trans	-67	127.1	175	174.5	58.6	0	0	0	110.3	A82 S83 G84 T85 L122	D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 PolarHBondContact OD2-N 2.9Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-N 2.77Å; D80-S83 PolarHBondContact OD2-OG 3.14Å; D80-G84 WeakPolarHBondContact O-CA 3.46Å; D80-G84 PolarHBondContact O-N 2.8Å; D80-T85 PolarHBondContact N-O 3.43Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.23Å
81	E	96.3	Very high	96.8	Very high	52 Å²	52	36.6 Å²	36.6	24%	0.243	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.5	-172.1	-170.9	175.9	156.3	0	0	113.4	K73 F75 I79 N123 Y144	K73-E81 PolarHBondContact NZ-O 3.45Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.41Å; I79-E81 PolarHBondContact O-N 3.07Å; E81-N123 PolarHBondContact OE2-ND2 2.84Å; E81-Y144 HydrophobicContact CG-CE1 4.43Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.44Å; E81-Y144 PolarHBondContact OE1-OH 3.13Å
82	A	94.6	Very high	96.7	Very high	88 Å²	88	35.1 Å²	35.1	73%	0.727	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-48.7	-178.8	0	0	0	0	0	111.4	D80	D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 PolarHBondContact OD2-N 2.9Å
83	S	96.5	Very high	96.5	Very high	70 Å²	70	41.4 Å²	41.4	49%	0.49	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-19.7	-177.2	67.4	0	0	0	0	114.4	D80 T85	D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-N 2.77Å; D80-S83 PolarHBondContact OD2-OG 3.14Å; S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 WeakPolarHBondContact OG-CB 3.38Å; S83-T85 PolarHBondContact OG-N 2.77Å; S83-T85 PolarHBondContact OG-OG1 2.81Å
84	G	97.5	Very high	96.3	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	24%	0.235	C	C	.	.			trans	75.7	6	-171.6	0	0	0	0	0	114.3	G69 F70 I79 D80 V86	G69-G84 CarbonylContact C-O 3.54Å; G69-G84 WeakPolarHBondContact CA-O 3.42Å; F70-G84 PolarHBondContact N-O 3.2Å; F70-G84 WeakPolarHBondContact O-CA 3.33Å; I79-G84 VanDerWaalsContact CG2-O 3.26Å; I79-G84 WeakPolarHBondContact CG2-O 3.41Å; D80-G84 WeakPolarHBondContact O-CA 3.46Å; D80-G84 PolarHBondContact O-N 2.8Å; G84-V86 PolarHBondContact O-N 2.72Å
85	T	97.9	Very high	96.2	Very high	65 Å²	65	41.6 Å²	41.6	40%	0.399	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-68.8	128.1	-175	-55.5	0	0	0	0	111.3	I79 D80 S83	I79-T85 WeakPolarHBondContact CA-O 3.49Å; D80-T85 PolarHBondContact N-O 3.43Å; S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 WeakPolarHBondContact OG-CB 3.38Å; S83-T85 PolarHBondContact OG-N 2.77Å; S83-T85 PolarHBondContact OG-OG1 2.81Å
86	V	98	Very high	96.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-76.3	136.1	171.4	-177.7	0	0	0	0	109.5	I68 F70 I79 G84 L88 I91 F108 L112	I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.05Å; I68-V86 HydrophobicContact CG2-CG2 3.87Å; I68-V86 PolarHBondContact O-N 3.22Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; I79-V86 HydrophobicContact CD1-CG2 4.37Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å; G84-V86 PolarHBondContact O-N 2.72Å; V86-L88 PolarHBondContact O-N 2.59Å; V86-L88 VanDerWaalsContact O-N 3.16Å; V86-I91 HydrophobicContact CB-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CG1 3.99Å; V86-F108 HydrophobicContact CG1-CE1 4.38Å; V86-F108 HydrophobicContact CG1-CZ 4.37Å; V86-L112 HydrophobicContact CG1-CD2 3.79Å
87	C	96.1	Very high	96	Very high	18 Å²	18	46.9 Å²	46.9	12%	0.122	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.7	119.6	179.1	-178	0	0	0	0	112.2	N78 D89 V90 I91 L122	N78-C87 HydrophobicContact CB-CB 4.33Å; N78-C87 PolarHBondContact O-N 2.62Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.3Å; C87-V90 HydrophobicContact CB-CB 4.22Å; C87-V90 HydrophobicContact CB-CG2 3.9Å; C87-V90 WeakPolarHBondContact O-CB 3.47Å; C87-V90 PolarHBondContact O-N 2.89Å; C87-V90 VanDerWaalsContact O-N 3.13Å; C87-I91 PolarHBondContact O-N 2.76Å; C87-I91 VanDerWaalsContact O-N 3.16Å; C87-L122 HydrophobicContact CB-CD1 3.73Å; C87-L122 HydrophobicContact CB-CG 4.04Å
88	L	93.9	Very high	95.8	Very high	94 Å²	94	54.1 Å²	54.1	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-34	-176.8	-175.1	61.3	0	0	0	112.5	V86 V90 I91 N92	V86-L88 PolarHBondContact O-N 2.59Å; V86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.01Å; L88-I91 PolarHBondContact O-N 3.35Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.38Å; L88-N92 PolarHBondContact O-ND2 3.43Å
89	D	93.6	Very high	95.7	Very high	111 Å²	111	55.8 Å²	55.8	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-66.8	-36.4	178.1	-68	-24.1	0	0	0	111.7	C87 N92 Q93	C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.3Å; D89-N92 PolarHBondContact O-N 2.88Å; D89-Q93 VanDerWaalsContact O-CG 3.32Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 2.91Å
90	V	93.2	Very high	95.5	Very high	12 Å²	12	58.2 Å²	58.2	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-40.1	174.5	177.4	0	0	0	0	111	N78 C87 L88 N92 Q93 F108 L112	N78-V90 HydrophobicContact CB-CG2 4.27Å; C87-V90 HydrophobicContact CB-CB 4.22Å; C87-V90 HydrophobicContact CB-CG2 3.9Å; C87-V90 WeakPolarHBondContact O-CB 3.47Å; C87-V90 PolarHBondContact O-N 2.89Å; C87-V90 VanDerWaalsContact O-N 3.13Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.01Å; V90-N92 VanDerWaalsContact C-N 3.34Å; V90-Q93 PolarHBondContact O-N 3.36Å; V90-F108 HydrophobicContact CG1-CE2 4.13Å; V90-F108 HydrophobicContact CG1-CZ 4.19Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.45Å
91	I	94.9	Very high	95.4	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-46.9	173.3	-59.2	171.8	0	0	0	109.8	I68 V86 C87 L88 Q93 T94 W95 F108	I68-I91 HydrophobicContact CB-CD1 4.19Å; I68-I91 HydrophobicContact CD1-CD1 4.04Å; I68-I91 HydrophobicContact CD1-CG1 4.3Å; I68-I91 HydrophobicContact CG1-CD1 4.09Å; V86-I91 HydrophobicContact CB-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CG1 3.99Å; C87-I91 PolarHBondContact O-N 2.76Å; C87-I91 VanDerWaalsContact O-N 3.16Å; L88-I91 PolarHBondContact O-N 3.35Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.96Å; I91-T94 PolarHBondContact O-N 2.89Å; I91-T94 VanDerWaalsContact O-N 3.08Å; I91-W95 HydrophobicContact CG2-CB 4.4Å; I91-W95 WeakPolarHBondContact O-CB 3.35Å; I91-W95 PolarHBondContact O-N 3.33Å; I91-F108 HydrophobicContact CB-CZ 4.33Å; I91-F108 HydrophobicContact CG1-CE1 4.09Å; I91-F108 HydrophobicContact CG1-CZ 3.78Å
92	N	94.4	Very high	95.4	Very high	75 Å²	75	54 Å²	54	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-67.5	-22.9	-176.9	-72.3	-25	0	0	0	114.2	S65 L88 D89 V90 T94	S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 3.12Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.38Å; L88-N92 PolarHBondContact O-ND2 3.43Å; D89-N92 PolarHBondContact O-N 2.88Å; V90-N92 VanDerWaalsContact C-N 3.34Å; N92-T94 PolarHBondContact O-N 2.99Å
93	Q	93.6	Very high	95.5	Very high	135 Å²	135	52.4 Å²	52.4	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-66.9	-28.4	172.3	-73.9	166.2	22.1	0	0	112.4	D89 V90 I91	D89-Q93 VanDerWaalsContact O-CG 3.32Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 2.91Å; V90-Q93 PolarHBondContact O-N 3.36Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.96Å
94	T	94	Very high	95.6	Very high	59 Å²	59	49.2 Å²	49.2	36%	0.362	27%	0.269	S	S	.	.	H	α-helix	trans	-102.2	-33.8	-177.9	-56.5	0	0	0	0	112.2	I91 N92 Y99 F108	I91-T94 PolarHBondContact O-N 2.89Å; I91-T94 VanDerWaalsContact O-N 3.08Å; N92-T94 PolarHBondContact O-N 2.99Å; T94-Y99 HydrophobicContact CG2-CD2 4.37Å; T94-Y99 HydrophobicContact CG2-CE2 3.54Å; T94-F108 HydrophobicContact CG2-CD2 3.97Å
95	W	97.1	Very high	95.6	Very high	27 Å²	27	49.2 Å²	49.2	10%	0.102	27%	0.268	C	S	.	.			trans	-70.2	135.8	-172.7	-173.6	-97.4	0	0	0	112.8	Y61 P62 S65 P66 I91 Y99 I104	Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.55Å; Y61-W95 HydrophobicContact CE2-CH2 3.55Å; Y61-W95 AromaticContact CE2-CZ2 3.4Å; Y61-W95 HydrophobicContact CE2-CZ2 3.4Å; P62-W95 HydrophobicContact CB-CZ2 4.18Å; P62-W95 PolarHBondContact O-NE1 2.93Å; S65-W95 VanDerWaalsContact CA-CD1 3.48Å; P66-W95 HydrophobicContact CG-CE3 4.12Å; P66-W95 HydrophobicContact CG-CH2 4.26Å; P66-W95 HydrophobicContact CG-CZ3 3.94Å; I91-W95 HydrophobicContact CG2-CB 4.4Å; I91-W95 WeakPolarHBondContact O-CB 3.35Å; I91-W95 PolarHBondContact O-N 3.33Å; W95-Y99 AromaticContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CG 4.05Å; W95-Y99 AromaticContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CG 4.23Å; W95-I104 HydrophobicContact CZ3-CD1 4.06Å; W95-I104 HydrophobicContact CZ3-CG1 4.38Å
96	T	96.6	Very high	95.5	Very high	76 Å²	76	50.4 Å²	50.4	47%	0.466	27%	0.268	S	S	.	.			trans	-137	161.7	167.9	70.8	0	0	0	0	109	L98 Y99	T96-L98 PolarHBondContact O-N 2.98Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 3.02Å; T96-Y99 PolarHBondContact OG1-N 3.33Å
97	A	95.1	Very high	95.4	Very high	35 Å²	35	52.9 Å²	52.9	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-10.6	178.7	0	0	0	0	0	114.4	P62 F63	P62-A97 HydrophobicContact CG-CB 4.2Å; P62-A97 WeakPolarHBondContact CG-O 3.38Å; F63-A97 HydrophobicContact CD1-CB 4.02Å; F63-A97 HydrophobicContact CE1-CB 4.28Å
98	L	94.9	Very high	95.5	Very high	153 Å²	153	52.6 Å²	52.6	80%	0.801	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-1.3	176.4	-61.4	178	0	0	0	112.8	T96	T96-L98 PolarHBondContact O-N 2.98Å
99	Y	95.4	Very high	95.7	Very high	35 Å²	35	48.1 Å²	48.1	14%	0.137	26%	0.259	C	S	.	.			trans	-64.5	135	-179.4	-161.9	-90.2	0	0	0	110	T94 W95 T96 N103 I104	T94-Y99 HydrophobicContact CG2-CD2 4.37Å; T94-Y99 HydrophobicContact CG2-CE2 3.54Å; W95-Y99 AromaticContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CG 4.05Å; W95-Y99 AromaticContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CG 4.23Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 3.02Å; T96-Y99 PolarHBondContact OG1-N 3.33Å; Y99-N103 HydrophobicContact CD1-CB 4.37Å; Y99-N103 HydrophobicContact CE1-CB 3.56Å; Y99-N103 PolarHBondContact OH-O 2.97Å; Y99-I104 HydrophobicContact CE1-CG1 4.26Å
100	D	94.6	Very high	95.9	Very high	51 Å²	51	44 Å²	44	27%	0.273	24%	0.238	S	C	.	.			trans	-78.9	136.3	179.3	-158.3	-9.7	0	0	0	110.6	T102 N103	D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.02Å; D100-T102 PolarHBondContact OD2-OG1 3.3Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CB 3.42Å; D100-N103 PolarHBondContact O-N 2.84Å; D100-N103 VanDerWaalsContact O-N 3.13Å
101	L	95	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-67.6	-33.4	-175.8	-170.3	69.3	0	0	0	111.4	D14 V15 L18 F34 L57 N103 I104	D14-L101 HydrophobicContact CB-CB 4.07Å; D14-L101 HydrophobicContact CB-CD2 4.02Å; V15-L101 HydrophobicContact CG2-CD2 3.99Å; L18-L101 HydrophobicContact CB-CD2 4.33Å; L18-L101 HydrophobicContact CD2-CD2 3.95Å; L18-L101 HydrophobicContact CD2-CG 4.21Å; F34-L101 HydrophobicContact CE1-CD2 4.47Å; F34-L101 HydrophobicContact CZ-CD1 4.44Å; F34-L101 HydrophobicContact CZ-CD2 3.84Å; F34-L101 HydrophobicContact CZ-CG 4.46Å; L57-L101 HydrophobicContact CD2-CD1 4.1Å; L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 3.39Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 WeakPolarHBondContact O-CB 3.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.24Å; L101-I104 PolarHBondContact O-N 3.1Å
102	T	96.5	Very high	96.2	Very high	15 Å²	15	48.9 Å²	48.9	9%	0.092	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.7	172.8	50.8	0	0	0	0	112.2	L18 D100 I104 F105 E106	L18-T102 HydrophobicContact CD1-CG2 3.88Å; D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.02Å; D100-T102 PolarHBondContact OD2-OG1 3.3Å; T102-I104 PolarHBondContact O-N 3.48Å; T102-I104 VanDerWaalsContact O-N 3.09Å; T102-F105 PolarHBondContact O-N 3.14Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.08Å
103	N	96.9	Very high	96.4	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-15.1	-179.8	-73.5	-24.7	0	0	0	113.3	Y99 D100 L101 F105 S107 F108	Y99-N103 HydrophobicContact CD1-CB 4.37Å; Y99-N103 HydrophobicContact CE1-CB 3.56Å; Y99-N103 PolarHBondContact OH-O 2.97Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CB 3.42Å; D100-N103 PolarHBondContact O-N 2.84Å; D100-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 3.39Å; N103-F105 VanDerWaalsContact C-N 3.26Å; N103-F105 PolarHBondContact O-N 2.85Å; N103-S107 WeakPolarHBondContact O-CA 3.4Å; N103-S107 WeakPolarHBondContact O-CB 3.37Å; N103-S107 PolarHBondContact O-N 2.83Å; N103-F108 PolarHBondContact O-N 2.82Å
104	I	97.5	Very high	96.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.224	C	C	.	.	I	π-helix	trans	-56.7	-46.2	168.8	-66.1	179.2	0	0	0	110.1	P66 I68 W95 Y99 L101 T102 F108 L109	P66-I104 HydrophobicContact CG-CD1 3.67Å; I68-I104 HydrophobicContact CD1-CD1 4.31Å; I68-I104 HydrophobicContact CD1-CG2 3.63Å; W95-I104 HydrophobicContact CZ3-CD1 4.06Å; W95-I104 HydrophobicContact CZ3-CG1 4.38Å; Y99-I104 HydrophobicContact CE1-CG1 4.26Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 WeakPolarHBondContact O-CB 3.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.24Å; L101-I104 PolarHBondContact O-N 3.1Å; T102-I104 PolarHBondContact O-N 3.48Å; T102-I104 VanDerWaalsContact O-N 3.09Å; I104-F108 HydrophobicContact CG2-CD1 4.42Å; I104-L109 HydrophobicContact CG2-CD1 4.11Å; I104-L109 HydrophobicContact CG2-CG 4.2Å; I104-L109 WeakPolarHBondContact O-CB 3.47Å; I104-L109 WeakPolarHBondContact O-CG 3.42Å; I104-L109 PolarHBondContact O-N 3.44Å
105	F	97.8	Very high	96.6	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	24%	0.237	C	C	.	.	I	π-helix	trans	-90.5	-28.3	-175.6	-56.6	-75.2	0	0	0	112.9	L18 V36 F38 V53 V55 T102 N103 L109 P110	L18-F105 HydrophobicContact CD1-CD2 3.94Å; L18-F105 HydrophobicContact CD1-CE2 4.1Å; L18-F105 HydrophobicContact CD2-CE2 3.98Å; V36-F105 HydrophobicContact CB-CD1 4.25Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.48Å; V36-F105 VanDerWaalsContact CB-CZ 3.48Å; V36-F105 HydrophobicContact CG1-CD1 4.05Å; V36-F105 HydrophobicContact CG1-CD2 4.32Å; V36-F105 HydrophobicContact CG1-CE1 3.9Å; V36-F105 HydrophobicContact CG1-CE2 4.19Å; V36-F105 HydrophobicContact CG1-CG 4.25Å; V36-F105 HydrophobicContact CG1-CZ 3.96Å; V36-F105 HydrophobicContact CG2-CE1 4.03Å; V36-F105 HydrophobicContact CG2-CE2 3.67Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; V53-F105 HydrophobicContact CB-CE1 4.04Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V55-F105 HydrophobicContact CG2-CZ 3.72Å; T102-F105 PolarHBondContact O-N 3.14Å; N103-F105 VanDerWaalsContact C-N 3.26Å; N103-F105 PolarHBondContact O-N 2.85Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; F105-P110 VanDerWaalsContact O-CD 3.3Å; F105-P110 WeakPolarHBondContact O-CD 3.17Å; F105-P110 VanDerWaalsContact O-CG 3.26Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å
106	E	96.3	Very high	96.4	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	24%	0.235	S	C	.	.	I	π-helix	trans	-87	-25.4	-179.5	-59.8	-161.7	141.2	0	0	113.9	K22 H23 T102	K22-E106 WeakPolarHBondContact CE-OE1 3.19Å; K22-E106 IonicContact NZ-OE1 2.84Å; K22-E106 PolarHBondContact NZ-OE1 3.11Å; H23-E106 WeakPolarHBondContact NE2-CG 3.42Å; H23-E106 IonicContact NE2-OE1 2.88Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.08Å
107	S	96.9	Very high	96	Very high	54 Å²	54	42.8 Å²	42.8	38%	0.378	22%	0.223	S	C	.	.	I	π-helix	trans	-130.5	-61.7	-172.2	-175.4	0	0	0	0	112.5	N103 P110 Q111	N103-S107 WeakPolarHBondContact O-CA 3.4Å; N103-S107 WeakPolarHBondContact O-CB 3.37Å; N103-S107 PolarHBondContact O-N 2.83Å; S107-P110 WeakPolarHBondContact O-CD 3.42Å; S107-Q111 WeakPolarHBondContact O-CB 3.37Å; S107-Q111 VanDerWaalsContact O-CG 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.32Å; S107-Q111 PolarHBondContact O-N 2.78Å
108	F	97.8	Very high	95.3	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.057	23%	0.225	C	C	.	.	I	π-helix	trans	-60.7	-56.6	-171.5	171.3	-105.3	0	0	0	113.1	I68 V86 V90 I91 T94 N103 I104 Q111 L112	I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; V86-F108 HydrophobicContact CG1-CE1 4.38Å; V86-F108 HydrophobicContact CG1-CZ 4.37Å; V90-F108 HydrophobicContact CG1-CE2 4.13Å; V90-F108 HydrophobicContact CG1-CZ 4.19Å; I91-F108 HydrophobicContact CB-CZ 4.33Å; I91-F108 HydrophobicContact CG1-CE1 4.09Å; I91-F108 HydrophobicContact CG1-CZ 3.78Å; T94-F108 HydrophobicContact CG2-CD2 3.97Å; N103-F108 PolarHBondContact O-N 2.82Å; I104-F108 HydrophobicContact CG2-CD1 4.42Å; F108-Q111 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CE1-CD2 4.29Å; F108-L112 HydrophobicContact CZ-CD2 4.08Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.49Å; F108-L112 PolarHBondContact O-N 3.32Å
109	L	98.1	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-45.6	-179.4	-69.8	175.3	0	0	0	112.4	F38 V53 I68 F70 I104 F105 Q111 L112 L113	F38-L109 HydrophobicContact CD2-CD1 4.31Å; F38-L109 HydrophobicContact CE1-CB 4.43Å; F38-L109 HydrophobicContact CE2-CB 3.86Å; F38-L109 HydrophobicContact CE2-CD1 4.37Å; F38-L109 HydrophobicContact CZ-CB 3.76Å; V53-L109 HydrophobicContact CG1-CD1 4.18Å; V53-L109 HydrophobicContact CG2-CD1 4.48Å; I68-L109 HydrophobicContact CG2-CD2 4.4Å; F70-L109 HydrophobicContact CE2-CD2 4.11Å; F70-L109 HydrophobicContact CZ-CD2 4.18Å; I104-L109 HydrophobicContact CG2-CD1 4.11Å; I104-L109 HydrophobicContact CG2-CG 4.2Å; I104-L109 WeakPolarHBondContact O-CB 3.47Å; I104-L109 WeakPolarHBondContact O-CG 3.42Å; I104-L109 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-L113 WeakPolarHBondContact O-CD1 3.35Å; L109-L113 PolarHBondContact O-N 3.38Å
110	P	98.1	Very high	94.5	Very high	24 Å²	24	47 Å²	47	16%	0.156	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-44.1	173.6	-30	37.3	0	0	0	114	F38 P41 F105 S107 A114	F38-P110 HydrophobicContact CE2-CG 4.19Å; F38-P110 HydrophobicContact CZ-CG 4.37Å; P41-P110 HydrophobicContact CB-CB 4.15Å; P41-P110 HydrophobicContact CG-CB 4.48Å; F105-P110 VanDerWaalsContact O-CD 3.3Å; F105-P110 WeakPolarHBondContact O-CD 3.17Å; F105-P110 VanDerWaalsContact O-CG 3.26Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å; S107-P110 WeakPolarHBondContact O-CD 3.42Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.03Å; P110-A114 VanDerWaalsContact O-N 3.07Å
111	Q	97.2	Very high	94.5	Very high	110 Å²	110	46.8 Å²	46.8	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-68.9	-39.9	178.6	-71.4	-59.1	-58.7	0	0	112.1	S107 F108 L109 A114 Y115	S107-Q111 WeakPolarHBondContact O-CB 3.37Å; S107-Q111 VanDerWaalsContact O-CG 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.32Å; S107-Q111 PolarHBondContact O-N 2.78Å; F108-Q111 PolarHBondContact O-N 3.45Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.85Å; Q111-A114 PolarHBondContact O-N 3.29Å; Q111-Y115 PolarHBondContact O-N 2.92Å
112	L	97.2	Very high	94.5	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.9	-179	59.1	0	0	0	111.2	H76 N78 V86 V90 F108 L109 A114 Y115	H76-L112 PolarHBondContact NE2-O 3.07Å; N78-L112 HydrophobicContact CB-CD1 4.21Å; V86-L112 HydrophobicContact CG1-CD2 3.79Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.45Å; F108-L112 HydrophobicContact CE1-CD2 4.29Å; F108-L112 HydrophobicContact CZ-CD2 4.08Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.49Å; F108-L112 PolarHBondContact O-N 3.32Å; L109-L112 PolarHBondContact O-N 3.31Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.39Å; L112-Y115 CarbonylContact O-C 3.57Å; L112-Y115 VanDerWaalsContact O-C 3.28Å; L112-Y115 PolarHBondContact O-N 2.98Å
113	L	97.7	Very high	94.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-33.6	178.7	-92.7	61.8	0	0	0	112.6	F38 P41 Y46 F70 I74 L109	F38-L113 HydrophobicContact CE1-CD2 3.78Å; F38-L113 HydrophobicContact CZ-CD2 4.3Å; P41-L113 HydrophobicContact CG-CB 3.97Å; P41-L113 HydrophobicContact CG-CD2 4.29Å; Y46-L113 HydrophobicContact CD1-CD2 4.03Å; Y46-L113 HydrophobicContact CD1-CG 4.24Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 4Å; Y46-L113 HydrophobicContact CD2-CG 3.77Å; Y46-L113 HydrophobicContact CE1-CG 4.41Å; Y46-L113 HydrophobicContact CE2-CB 3.99Å; Y46-L113 HydrophobicContact CE2-CG 3.97Å; Y46-L113 VanDerWaalsContact CE2-O 3.22Å; Y46-L113 WeakPolarHBondContact CE2-O 3.26Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.68Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; F70-L113 HydrophobicContact CZ-CD1 4.38Å; I74-L113 HydrophobicContact CD1-CD1 4.49Å; I74-L113 HydrophobicContact CD1-CD2 4.36Å; L109-L113 WeakPolarHBondContact O-CD1 3.35Å; L109-L113 PolarHBondContact O-N 3.38Å
114	A	96.4	Very high	94.5	Very high	30 Å²	30	49.6 Å²	49.6	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-40	176.4	0	0	0	0	0	112.3	T44 P110 Q111 L112	T44-A114 HydrophobicContact CG2-CB 3.88Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.03Å; P110-A114 VanDerWaalsContact O-N 3.07Å; Q111-A114 PolarHBondContact O-N 3.29Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.39Å
115	Y	94.6	Very high	94.5	Very high	161 Å²	161	54.3 Å²	54.3	63%	0.631	30%	0.296	S	S	*	.	S	Bend	trans	-133.2	80.9	-173.3	-54.7	-71.7	0	0	0	110.9	Q111 L112	Q111-Y115 PolarHBondContact O-N 2.92Å; L112-Y115 CarbonylContact O-C 3.57Å; L112-Y115 VanDerWaalsContact O-C 3.28Å; L112-Y115 PolarHBondContact O-N 2.98Å
116	P	92.8	Very high	94.4	Very high	9 Å²	9	54 Å²	54	6%	0.058	30%	0.295	C	S	.	.			trans	-59.5	145.4	176.5	-21.3	31	0	0	0	111.7	P77 P118 Y130	P77-P116 HydrophobicContact CB-CB 4.05Å; P77-P116 HydrophobicContact CG-CB 3.64Å; P77-P116 HydrophobicContact CG-CG 4.15Å; P116-P118 VanDerWaalsContact O-CD 3.3Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P116-Y130 HydrophobicContact CB-CE1 4.39Å; P116-Y130 HydrophobicContact CG-CD2 4.26Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 4.07Å
117	N	88.6	Confident	94.5	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	28%	0.277	C	S	.	.			trans	-84.6	112.6	169.1	-176.2	-9.7	0	0	0	109.2	N78 I119	N78-N117 PolarHBondContact ND2-O 2.87Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.85Å; N117-I119 VanDerWaalsContact C-N 3.28Å; N117-I119 PolarHBondContact O-N 3Å; N117-I119 WeakPolarHBondContact OD1-CB 3.27Å; N117-I119 PolarHBondContact OD1-N 2.84Å
118	P	81.5	Confident	94.4	Very high	52 Å²	52	49.3 Å²	49.3	34%	0.338	27%	0.274	S	S	.	.			trans	-80.3	-5	-176.8	33.2	-35.7	0	0	0	114.1	P116 L131	P116-P118 VanDerWaalsContact O-CD 3.3Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.89Å; P118-L131 HydrophobicContact CB-CG 4.17Å; P118-L131 HydrophobicContact CG-CD2 4.3Å
119	I	84.9	Confident	94.4	Very high	119 Å²	119	49.9 Å²	49.9	61%	0.61	28%	0.277	S	S	*	.	S	Bend	trans	-82.8	128.1	-179.9	-55.4	174.8	0	0	0	108.7	N117	N117-I119 VanDerWaalsContact C-N 3.28Å; N117-I119 PolarHBondContact O-N 3Å; N117-I119 WeakPolarHBondContact OD1-CB 3.27Å; N117-I119 PolarHBondContact OD1-N 2.84Å
120	D	87.8	Confident	94.3	Very high	142 Å²	142	53.3 Å²	53.3	76%	0.759	29%	0.291	S	S	*	.	S	Bend	trans	46.2	62.6	-179.5	-61.7	-31.6	0	0	0	113.9
121	P	94	Very high	94.2	Very high	46 Å²	46	56.6 Å²	56.6	30%	0.299	31%	0.307	S	S	.	.			trans	-70.4	147.2	-175.9	32	-37	0	0	0	112.1	P77 A127	P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.55Å; P77-P121 WeakPolarHBondContact O-CA 3.42Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P121-A127 HydrophobicContact CB-CB 3.56Å; P121-A127 HydrophobicContact CG-CB 3.53Å
122	L	95.9	Very high	94.2	Very high	78 Å²	78	58.3 Å²	58.3	41%	0.408	31%	0.314	S	S	.	.	S	Bend	trans	-74.6	-32.9	168	-66.2	-175.8	0	0	0	111.3	P77 D80 C87	P77-L122 PolarHBondContact O-N 2.84Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.23Å; C87-L122 HydrophobicContact CB-CD1 3.73Å; C87-L122 HydrophobicContact CB-CG 4.04Å
123	N	97	Very high	94.2	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.053	33%	0.33	C	S	.	.			trans	-112.3	95.2	174.3	-170.3	-30.6	0	0	0	110	H76 P77 E81 D125 A126 A127	H76-N123 WeakPolarHBondContact O-CB 3.35Å; P77-N123 PolarHBondContact O-N 3.08Å; E81-N123 PolarHBondContact OE2-ND2 2.84Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.46Å; N123-D125 PolarHBondContact OD1-N 3.31Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 PolarHBondContact O-N 2.92Å; N123-A126 PolarHBondContact OD1-N 2.61Å; N123-A127 PolarHBondContact O-N 3.14Å
124	G	96.7	Very high	94.1	Very high	42 Å²	42	65.6 Å²	65.6	43%	0.433	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-35.3	179.8	0	0	0	0	0	113.4	A127 A128	G124-A127 PolarHBondContact O-N 2.97Å; G124-A128 WeakPolarHBondContact O-CB 3.33Å; G124-A128 PolarHBondContact O-N 3.01Å
125	D	96.4	Very high	94.1	Very high	102 Å²	102	70 Å²	70	55%	0.545	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-45.6	177.6	-73.5	-9.5	0	0	0	111.1	F75 N123 A127 A128 M129	F75-D125 HydrophobicContact CE2-CB 4.35Å; F75-D125 HydrophobicContact CZ-CB 4.25Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.46Å; N123-D125 PolarHBondContact OD1-N 3.31Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A128 PolarHBondContact O-N 3.16Å; D125-M129 WeakPolarHBondContact O-CB 3.4Å; D125-M129 WeakPolarHBondContact O-CG 3.47Å; D125-M129 PolarHBondContact O-N 3.49Å
126	A	97.1	Very high	94.3	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-43	176.4	0	0	0	0	0	111.3	F75 P77 N123 M129 Y130 Y137	F75-A126 HydrophobicContact CD1-CB 4.06Å; F75-A126 HydrophobicContact CD2-CB 4.27Å; F75-A126 HydrophobicContact CE1-CB 3.63Å; F75-A126 HydrophobicContact CE2-CB 3.83Å; F75-A126 HydrophobicContact CG-CB 4.37Å; F75-A126 HydrophobicContact CZ-CB 3.51Å; P77-A126 HydrophobicContact CG-CB 4.11Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 PolarHBondContact O-N 2.92Å; N123-A126 PolarHBondContact OD1-N 2.61Å; A126-M129 PolarHBondContact O-N 3.44Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.26Å; A126-Y130 PolarHBondContact O-N 2.85Å; A126-Y137 HydrophobicContact CB-CE2 4.25Å
127	A	97	Very high	94.5	Very high	6 Å²	6	67 Å²	67	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-45.2	177.3	0	0	0	0	0	112.4	P77 P121 N123 G124 D125 M129 Y130 L131	P77-A127 HydrophobicContact CB-CB 4.09Å; P77-A127 HydrophobicContact CG-CB 4.48Å; P121-A127 HydrophobicContact CB-CB 3.56Å; P121-A127 HydrophobicContact CG-CB 3.53Å; N123-A127 PolarHBondContact O-N 3.14Å; G124-A127 PolarHBondContact O-N 2.97Å; D125-A127 VanDerWaalsContact C-N 3.34Å; A127-M129 PolarHBondContact O-N 2.97Å; A127-Y130 PolarHBondContact O-N 3.43Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.3Å
128	A	96.6	Very high	95	Very high	37 Å²	37	68.9 Å²	68.9	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-40.5	178.2	0	0	0	0	0	111.9	G124 D125 H132	G124-A128 WeakPolarHBondContact O-CB 3.33Å; G124-A128 PolarHBondContact O-N 3.01Å; D125-A128 PolarHBondContact O-N 3.16Å; A128-H132 WeakPolarHBondContact O-CB 3.36Å; A128-H132 PolarHBondContact O-CD2 3.44Å; A128-H132 PolarHBondContact O-N 3.41Å
129	M	97.3	Very high	95.7	Very high	25 Å²	25	71.1 Å²	71.1	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-44.5	173.7	-70.1	-179.2	-179.7	0	0	111.4	F75 D125 A126 A127 L131 R133 Y137 K140	F75-M129 HydrophobicContact CE1-SD 3.87Å; F75-M129 HydrophobicContact CZ-SD 3.89Å; D125-M129 WeakPolarHBondContact O-CB 3.4Å; D125-M129 WeakPolarHBondContact O-CG 3.47Å; D125-M129 PolarHBondContact O-N 3.49Å; A126-M129 PolarHBondContact O-N 3.44Å; A127-M129 PolarHBondContact O-N 2.97Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.37Å; M129-R133 CarbonylContact O-C 2.89Å; M129-R133 VanDerWaalsContact O-CA 3.26Å; M129-R133 WeakPolarHBondContact O-CA 3.43Å; M129-R133 PolarHBondContact O-N 3.41Å; M129-Y137 HydrophobicContact CB-CD2 4.16Å; M129-Y137 HydrophobicContact CB-CG 4.49Å; M129-K140 HydrophobicContact CE-CD 3.98Å; M129-K140 HydrophobicContact SD-CD 3.75Å
130	Y	96.3	Very high	96.4	Very high	73 Å²	73	67.4 Å²	67.4	29%	0.286	35%	0.347	S	S	.	.	H	α-helix	trans	-57.5	-44	178.3	174.9	-110.8	0	0	0	112.4	P116 A126 A127 Y137	P116-Y130 HydrophobicContact CB-CE1 4.39Å; P116-Y130 HydrophobicContact CG-CD2 4.26Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 4.07Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.26Å; A126-Y130 PolarHBondContact O-N 2.85Å; A127-Y130 PolarHBondContact O-N 3.43Å; Y130-Y137 HydrophobicContact CD2-CD1 4.07Å; Y130-Y137 AromaticContact CD2-CE1 3.76Å; Y130-Y137 HydrophobicContact CD2-CE1 3.76Å
131	L	95.6	Very high	96.9	Very high	93 Å²	93	60.8 Å²	60.8	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-78.6	-38.3	-177.6	-68.9	175.4	0	0	0	114.1	P118 A127 M129	P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.89Å; P118-L131 HydrophobicContact CB-CG 4.17Å; P118-L131 HydrophobicContact CG-CD2 4.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.3Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.37Å
132	H	96.9	Very high	97	Very high	146 Å²	146	64.3 Å²	64.3	68%	0.676	32%	0.322	S	S	*	.	H	α-helix	trans	-113	-21.5	-168.2	-57.2	-56	0	0	0	114	A128	A128-H132 WeakPolarHBondContact O-CB 3.36Å; A128-H132 PolarHBondContact O-CD2 3.44Å; A128-H132 PolarHBondContact O-N 3.41Å
133	R	96.9	Very high	97.1	Very high	101 Å²	101	65.6 Å²	65.6	38%	0.381	33%	0.326	S	S	.	.			trans	-142.3	62.5	-172	-62.1	174.7	-69.1	160.6	-10.5	110.9	M129 E135 E136 Y137	M129-R133 CarbonylContact O-C 2.89Å; M129-R133 VanDerWaalsContact O-CA 3.26Å; M129-R133 WeakPolarHBondContact O-CA 3.43Å; M129-R133 PolarHBondContact O-N 3.41Å; R133-E135 VanDerWaalsContact C-N 3.25Å; R133-E135 PolarHBondContact O-N 3.43Å; R133-E136 HydrophobicContact CB-CB 4.04Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.5Å; R133-E136 IonicContact NE-OE2 3.67Å; R133-E136 IonicContact NH1-OE2 2.75Å; R133-E136 PolarHBondContact NH1-OE2 2.82Å; R133-E136 PolarHBondContact O-N 2.77Å; R133-E136 VanDerWaalsContact O-N 3.1Å; R133-Y137 PolarHBondContact O-N 2.86Å
134	P	95.3	Very high	97.2	Very high	64 Å²	64	66.9 Å²	66.9	42%	0.416	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-29.2	-170.7	24.3	-35.1	0	0	0	113.7	K138	P134-K138 VanDerWaalsContact O-CG 3.27Å; P134-K138 WeakPolarHBondContact O-CG 3.48Å; P134-K138 PolarHBondContact O-N 3.24Å; P134-K138 VanDerWaalsContact O-N 3.09Å
135	E	97.4	Very high	97.3	Very high	124 Å²	124	65.4 Å²	65.4	58%	0.579	31%	0.312	S	S	*	.	H	α-helix	trans	-73.3	-39.7	175.9	-61	-51.3	130.8	0	0	112.3	R133 Y137 K138 Q139	R133-E135 VanDerWaalsContact C-N 3.25Å; R133-E135 PolarHBondContact O-N 3.43Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.09Å; E135-K138 PolarHBondContact O-N 3.02Å; E135-K138 IonicContact OE1-NZ 2.87Å; E135-K138 PolarHBondContact OE1-NZ 2.93Å; E135-K138 IonicContact OE2-NZ 3.14Å; E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 2.79Å
136	E	97.9	Very high	97.3	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-38.5	172.6	-69.1	179.3	-152.4	0	0	111.3	R133 Q139 K140	R133-E136 HydrophobicContact CB-CB 4.04Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.5Å; R133-E136 IonicContact NE-OE2 3.67Å; R133-E136 IonicContact NH1-OE2 2.75Å; R133-E136 PolarHBondContact NH1-OE2 2.82Å; R133-E136 PolarHBondContact O-N 2.77Å; R133-E136 VanDerWaalsContact O-N 3.1Å; E136-Q139 PolarHBondContact O-N 3.42Å; E136-K140 WeakPolarHBondContact O-CB 3.22Å; E136-K140 PolarHBondContact O-N 2.56Å
137	Y	97.9	Very high	97.3	Very high	8 Å²	8	73.9 Å²	73.9	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-50.6	174.5	178.9	-113.1	0	0	0	111.4	Y46 F75 P77 A126 M129 Y130 R133 E135 Q139 K140 I141	Y46-Y137 PolarHBondContact OH-OH 3.15Å; F75-Y137 HydrophobicContact CD1-CD2 4.2Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CE2 4.18Å; P77-Y137 VanDerWaalsContact CD-OH 3.3Å; P77-Y137 WeakPolarHBondContact CD-OH 3.47Å; A126-Y137 HydrophobicContact CB-CE2 4.25Å; M129-Y137 HydrophobicContact CB-CD2 4.16Å; M129-Y137 HydrophobicContact CB-CG 4.49Å; Y130-Y137 HydrophobicContact CD2-CD1 4.07Å; Y130-Y137 AromaticContact CD2-CE1 3.76Å; Y130-Y137 HydrophobicContact CD2-CE1 3.76Å; R133-Y137 PolarHBondContact O-N 2.86Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.09Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Y137-K140 PolarHBondContact O-N 3Å; Y137-I141 HydrophobicContact CD1-CD1 3.81Å; Y137-I141 HydrophobicContact CD2-CD1 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.43Å; Y137-I141 VanDerWaalsContact CE1-CD1 3.43Å; Y137-I141 HydrophobicContact CE2-CD1 3.72Å; Y137-I141 HydrophobicContact CE2-CG1 4.41Å; Y137-I141 HydrophobicContact CG-CD1 4.15Å; Y137-I141 WeakPolarHBondContact O-CG1 3.33Å; Y137-I141 PolarHBondContact O-N 3.15Å
138	K	97.8	Very high	97.3	Very high	81 Å²	81	76 Å²	76	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-44.1	176.5	-71.1	167.8	-171.9	170.9	0	111.9	P45 P134 E135 I141 K142	P45-K138 HydrophobicContact CB-CB 4.49Å; P45-K138 HydrophobicContact CB-CG 4.16Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P134-K138 VanDerWaalsContact O-CG 3.27Å; P134-K138 WeakPolarHBondContact O-CG 3.48Å; P134-K138 PolarHBondContact O-N 3.24Å; P134-K138 VanDerWaalsContact O-N 3.09Å; E135-K138 PolarHBondContact O-N 3.02Å; E135-K138 IonicContact OE1-NZ 2.87Å; E135-K138 PolarHBondContact OE1-NZ 2.93Å; E135-K138 IonicContact OE2-NZ 3.14Å; K138-I141 PolarHBondContact O-N 2.79Å; K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.39Å; K138-K142 VanDerWaalsContact O-N 3.09Å
139	Q	98.1	Very high	97.3	Very high	98 Å²	98	74.2 Å²	74.2	46%	0.458	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-45.7	-179	-178.4	56.9	29	0	0	111.6	E135 E136 Y137 I141 K142 E143	E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 2.79Å; E136-Q139 PolarHBondContact O-N 3.42Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 3.23Å; Q139-K142 WeakPolarHBondContact O-CB 3.35Å; Q139-K142 PolarHBondContact O-N 3.43Å; Q139-K142 VanDerWaalsContact O-N 3.16Å; Q139-E143 PolarHBondContact NE2-OE1 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.94Å
140	K	98.1	Very high	97.3	Very high	42 Å²	42	74 Å²	74	18%	0.183	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-39.4	177.1	-172.9	166.1	177.4	-173.7	0	111.9	F75 M129 E136 Y137 E143 Y144	F75-K140 HydrophobicContact CD1-CB 4.42Å; F75-K140 HydrophobicContact CD1-CD 4.03Å; F75-K140 HydrophobicContact CD1-CG 4.02Å; F75-K140 HydrophobicContact CD2-CD 4.37Å; F75-K140 HydrophobicContact CE1-CB 4.41Å; F75-K140 HydrophobicContact CE1-CD 3.62Å; F75-K140 HydrophobicContact CE1-CG 4.08Å; F75-K140 HydrophobicContact CE2-CD 4.03Å; F75-K140 VanDerWaalsContact CE2-CE 3.48Å; F75-K140 HydrophobicContact CG-CD 4.38Å; F75-K140 HydrophobicContact CG-CG 4.36Å; F75-K140 HydrophobicContact CZ-CD 3.61Å; F75-K140 HydrophobicContact CZ-CG 4.49Å; M129-K140 HydrophobicContact CE-CD 3.98Å; M129-K140 HydrophobicContact SD-CD 3.75Å; E136-K140 WeakPolarHBondContact O-CB 3.22Å; E136-K140 PolarHBondContact O-N 2.56Å; Y137-K140 PolarHBondContact O-N 3Å; K140-E143 PolarHBondContact O-N 3.16Å; K140-Y144 HydrophobicContact CD-CE2 4.42Å; K140-Y144 HydrophobicContact CG-CD2 4.06Å; K140-Y144 HydrophobicContact CG-CE2 3.87Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3.16Å
141	I	98.3	Very high	97.2	Very high	3 Å²	3	73.5 Å²	73.5	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-45.1	174.3	-69.4	166.2	0	0	0	111.1	P45 Y46 F75 Y137 K138 Q139 E143 Y144 I145	P45-I141 HydrophobicContact CB-CB 4.28Å; P45-I141 HydrophobicContact CB-CD1 3.77Å; P45-I141 HydrophobicContact CB-CG2 4.13Å; P45-I141 HydrophobicContact CG-CD1 4.37Å; P45-I141 VanDerWaalsContact O-CG2 3.27Å; P45-I141 WeakPolarHBondContact O-CG2 3.41Å; Y46-I141 HydrophobicContact CD1-CG2 3.74Å; Y46-I141 HydrophobicContact CE1-CD1 3.96Å; Y46-I141 HydrophobicContact CE1-CG1 4.17Å; Y46-I141 HydrophobicContact CE1-CG2 3.86Å; Y46-I141 HydrophobicContact CE2-CD1 3.98Å; Y46-I141 HydrophobicContact CG-CG2 4.27Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.32Å; F75-I141 HydrophobicContact CB-CG1 4.46Å; F75-I141 HydrophobicContact CD1-CG1 4.2Å; Y137-I141 HydrophobicContact CD1-CD1 3.81Å; Y137-I141 HydrophobicContact CD2-CD1 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.43Å; Y137-I141 VanDerWaalsContact CE1-CD1 3.43Å; Y137-I141 HydrophobicContact CE2-CD1 3.72Å; Y137-I141 HydrophobicContact CE2-CG1 4.41Å; Y137-I141 HydrophobicContact CG-CD1 4.15Å; Y137-I141 WeakPolarHBondContact O-CG1 3.33Å; Y137-I141 PolarHBondContact O-N 3.15Å; K138-I141 PolarHBondContact O-N 2.79Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 3.23Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.83Å; I141-Y144 WeakPolarHBondContact O-CB 3.48Å; I141-Y144 PolarHBondContact O-N 3.29Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 3.48Å
142	K	97.7	Very high	97.1	Very high	120 Å²	120	74.8 Å²	74.8	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-41.5	177.2	-72.4	178.3	179.6	-177.1	0	112.2	K138 Q139 Y144 I145 Q146	K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.39Å; K138-K142 VanDerWaalsContact O-N 3.09Å; Q139-K142 WeakPolarHBondContact O-CB 3.35Å; Q139-K142 PolarHBondContact O-N 3.43Å; Q139-K142 VanDerWaalsContact O-N 3.16Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; K142-I145 PolarHBondContact O-N 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.33Å
143	E	97.9	Very high	96.9	Very high	105 Å²	105	68.2 Å²	68.2	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-41.6	175.2	-70.9	167	-165	0	0	111.8	Q139 K140 I141 I145 Q146 K147	Q139-E143 PolarHBondContact NE2-OE1 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.94Å; K140-E143 PolarHBondContact O-N 3.16Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.83Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-Q146 PolarHBondContact O-N 2.53Å; E143-K147 WeakPolarHBondContact O-CB 3.21Å; E143-K147 PolarHBondContact O-N 3.1Å; E143-K147 VanDerWaalsContact O-N 3.1Å
144	Y	97.9	Very high	96.7	Very high	37 Å²	37	63.8 Å²	63.8	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-40.2	175.1	-88.4	-124.3	0	0	0	111.7	K73 F75 E81 K140 I141 K142 K147 Y148	K73-Y144 HydrophobicContact CB-CD1 4.45Å; F75-Y144 HydrophobicContact CB-CD1 3.74Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.9Å; F75-Y144 HydrophobicContact CB-CG 4.01Å; F75-Y144 HydrophobicContact CD2-CE1 4.28Å; F75-Y144 HydrophobicContact CG-CE1 4.48Å; E81-Y144 HydrophobicContact CG-CE1 4.43Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.44Å; E81-Y144 PolarHBondContact OE1-OH 3.13Å; K140-Y144 HydrophobicContact CD-CE2 4.42Å; K140-Y144 HydrophobicContact CG-CD2 4.06Å; K140-Y144 HydrophobicContact CG-CE2 3.87Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3.16Å; I141-Y144 WeakPolarHBondContact O-CB 3.48Å; I141-Y144 PolarHBondContact O-N 3.29Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-K147 PolarHBondContact O-N 2.98Å; Y144-Y148 AromaticContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CE2 4.11Å; Y144-Y148 HydrophobicContact CE1-CE2 4.35Å; Y144-Y148 HydrophobicContact CG-CD2 4.14Å; Y144-Y148 HydrophobicContact CG-CE2 4.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.3Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.41Å; Y144-Y148 PolarHBondContact O-N 2.91Å
145	I	98.1	Very high	96.5	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-53.4	177	-70.9	166.8	0	0	0	110.1	P45 W51 I141 K142 E143 K147 Y148 A149 T150	P45-I145 WeakPolarHBondContact O-CD1 3.4Å; W51-I145 HydrophobicContact CH2-CD1 4.24Å; W51-I145 HydrophobicContact CH2-CG1 3.94Å; W51-I145 HydrophobicContact CZ2-CG1 3.97Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 3.48Å; K142-I145 PolarHBondContact O-N 3.29Å; E143-I145 VanDerWaalsContact C-N 3.35Å; I145-K147 PolarHBondContact O-N 3.24Å; I145-Y148 PolarHBondContact O-N 2.89Å; I145-A149 CarbonylContact O-C 3.59Å; I145-A149 VanDerWaalsContact O-C 3.29Å; I145-A149 WeakPolarHBondContact O-CA 3.36Å; I145-A149 PolarHBondContact O-N 3.42Å; I145-T150 WeakPolarHBondContact O-CG2 3.26Å; I145-T150 PolarHBondContact O-N 3.07Å
146	Q	97.1	Very high	96	Very high	143 Å²	143	67 Å²	67	67%	0.668	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-32.2	-178.8	-69	-61.5	-39.3	0	0	112.7	K142 E143	K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 2.53Å
147	K	96.8	Very high	95.1	Very high	138 Å²	138	66.4 Å²	66.4	60%	0.6	30%	0.303	S	S	*	.	H	α-helix	trans	-88.9	-32	-176.3	-169.4	171.9	177.4	-172	0	114.3	E143 Y144 I145	E143-K147 WeakPolarHBondContact O-CB 3.21Å; E143-K147 PolarHBondContact O-N 3.1Å; E143-K147 VanDerWaalsContact O-N 3.1Å; Y144-K147 PolarHBondContact O-N 2.98Å; I145-K147 PolarHBondContact O-N 3.24Å
148	Y	97.1	Very high	94.1	Very high	49 Å²	49	71.3 Å²	71.3	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-132.2	-15.3	-166.5	-54.2	-64.8	0	0	0	114.6	N72 K73 Y144 I145	N72-Y148 WeakPolarHBondContact CB-O 3.49Å; N72-Y148 PolarHBondContact ND2-O 3.46Å; K73-Y148 HydrophobicContact CB-CD1 4.34Å; K73-Y148 HydrophobicContact CB-CD2 3.81Å; K73-Y148 HydrophobicContact CB-CE2 4.35Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.15Å; K73-Y148 HydrophobicContact CD-CD2 4.22Å; K73-Y148 HydrophobicContact CD-CE1 3.87Å; K73-Y148 HydrophobicContact CD-CE2 3.97Å; K73-Y148 HydrophobicContact CD-CG 4.31Å; K73-Y148 HydrophobicContact CG-CG 4.45Å; Y144-Y148 AromaticContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CE2 4.11Å; Y144-Y148 HydrophobicContact CE1-CE2 4.35Å; Y144-Y148 HydrophobicContact CG-CD2 4.14Å; Y144-Y148 HydrophobicContact CG-CE2 4.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.3Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.41Å; Y144-Y148 PolarHBondContact O-N 2.91Å; I145-Y148 PolarHBondContact O-N 2.89Å
149	A	97.3	Very high	93	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-133.2	35.8	-169.4	0	0	0	0	0	112.5	G49 V50 W51 I145	G49-A149 CarbonylContact C-O 3.54Å; G49-A149 WeakPolarHBondContact CA-O 3.24Å; V50-A149 PolarHBondContact N-O 3.47Å; V50-A149 WeakPolarHBondContact O-CA 3.32Å; V50-A149 WeakPolarHBondContact O-CB 3.34Å; W51-A149 HydrophobicContact CD2-CB 4.08Å; W51-A149 VanDerWaalsContact CE2-CB 3.48Å; W51-A149 HydrophobicContact CG-CB 4.42Å; W51-A149 HydrophobicContact CH2-CB 4.47Å; W51-A149 HydrophobicContact CZ2-CB 3.73Å; I145-A149 CarbonylContact O-C 3.59Å; I145-A149 VanDerWaalsContact O-C 3.29Å; I145-A149 WeakPolarHBondContact O-CA 3.36Å; I145-A149 PolarHBondContact O-N 3.42Å
150	T	97.1	Very high	91.1	Very high	21 Å²	21	73 Å²	73	13%	0.129	35%	0.353	C	S	.	.	S	Bend	trans	-101.4	161.3	164.9	61.3	0	0	0	0	110.4	I145 E152 A153 L154	I145-T150 WeakPolarHBondContact O-CG2 3.26Å; I145-T150 PolarHBondContact O-N 3.07Å; T150-E152 VanDerWaalsContact CB-OE2 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.46Å; T150-E152 PolarHBondContact O-N 3.37Å; T150-E152 PolarHBondContact OG1-OE2 3.41Å; T150-A153 PolarHBondContact O-N 3.03Å; T150-A153 WeakPolarHBondContact OG1-CB 3.44Å; T150-A153 PolarHBondContact OG1-N 3.45Å; T150-A153 VanDerWaalsContact OG1-N 3.12Å; T150-L154 WeakPolarHBondContact O-CG 3.48Å; T150-L154 PolarHBondContact O-N 3.19Å
151	E	94.5	Very high	89.1	Confident	62 Å²	62	76.7 Å²	76.7	29%	0.29	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-34	174.9	-65.8	-72	-177.5	0	0	111.6	K37 V50 K155	K37-E151 WeakPolarHBondContact CE-OE1 3.5Å; K37-E151 WeakPolarHBondContact CE-OE2 3.25Å; K37-E151 IonicContact NZ-OE1 2.81Å; K37-E151 PolarHBondContact NZ-OE1 3.28Å; K37-E151 IonicContact NZ-OE2 3.64Å; K37-E151 PolarHBondContact NZ-OE2 2.84Å; V50-E151 HydrophobicContact CG2-CG 4.41Å; E151-K155 WeakPolarHBondContact O-CG 3.38Å; E151-K155 PolarHBondContact O-N 2.93Å
152	E	93.6	Very high	86.5	Confident	120 Å²	120	79.5 Å²	79.5	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-66.1	-49.3	175.5	-60.7	73.2	-155.3	0	0	111.1	T150 L154 K155 E156	T150-E152 VanDerWaalsContact CB-OE2 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.46Å; T150-E152 PolarHBondContact O-N 3.37Å; T150-E152 PolarHBondContact OG1-OE2 3.41Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.81Å; E152-K155 PolarHBondContact O-N 3.34Å; E152-K155 VanDerWaalsContact O-N 3.12Å; E152-E156 WeakPolarHBondContact O-CG 3.36Å; E152-E156 PolarHBondContact O-N 2.98Å
153	A	93.3	Very high	83.6	Confident	9 Å²	9	79.9 Å²	79.9	7%	0.074	42%	0.416	C	S	.	.	H	α-helix	trans	-62.6	-33.4	179.4	0	0	0	0	0	112.4	T150 Q157	T150-A153 PolarHBondContact O-N 3.03Å; T150-A153 WeakPolarHBondContact OG1-CB 3.44Å; T150-A153 PolarHBondContact OG1-N 3.45Å; T150-A153 VanDerWaalsContact OG1-N 3.12Å; A153-Q157 WeakPolarHBondContact O-CG 3.35Å; A153-Q157 PolarHBondContact O-N 2.98Å
154	L	92	Very high	80.9	Confident	7 Å²	7	80.5 Å²	80.5	4%	0.037	43%	0.432	C	S	.	.	H	α-helix	trans	-67.9	-36.2	175.9	-71.2	179.8	0	0	0	112.7	V50 K52 N72 T150 E152 E158	V50-L154 HydrophobicContact CB-CD1 4.07Å; V50-L154 HydrophobicContact CG1-CD1 3.66Å; K52-L154 HydrophobicContact CD-CD2 4.3Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; N72-L154 HydrophobicContact CB-CD2 4.06Å; T150-L154 WeakPolarHBondContact O-CG 3.48Å; T150-L154 PolarHBondContact O-N 3.19Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.81Å; L154-E158 WeakPolarHBondContact O-CG 3.35Å; L154-E158 PolarHBondContact O-N 3.4Å
155	K	90	Very high	78.4	Confident	121 Å²	121	83.2 Å²	83.2	53%	0.526	46%	0.456	S	S	.	.	H	α-helix	trans	-69.9	-44.2	176.1	-71	170.8	-176.1	174.6	0	111.4	E151 E152 Q157 E158 E159	E151-K155 WeakPolarHBondContact O-CG 3.38Å; E151-K155 PolarHBondContact O-N 2.93Å; E152-K155 PolarHBondContact O-N 3.34Å; E152-K155 VanDerWaalsContact O-N 3.12Å; K155-Q157 VanDerWaalsContact C-N 3.26Å; K155-Q157 PolarHBondContact O-N 3.22Å; K155-E158 PolarHBondContact O-N 3.41Å; K155-E158 VanDerWaalsContact O-N 3.08Å; K155-E159 PolarHBondContact O-N 2.97Å
156	E	87.9	Confident	75.8	Confident	134 Å²	134	87.9 Å²	87.9	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-58.9	-37.4	177.6	-70.2	176.6	-177.1	0	0	112.3	E152 G160	E152-E156 WeakPolarHBondContact O-CG 3.36Å; E152-E156 PolarHBondContact O-N 2.98Å; E156-G160 PolarHBondContact O-N 3.41Å
157	Q	78.8	Confident	73.2	Confident	87 Å²	87	89.3 Å²	89.3	41%	0.407	50%	0.496	S	S	.	.	H	α-helix	trans	-69.2	-33.9	175.6	-76.2	-169	-15.3	0	0	113.5	A153 K155 T161	A153-Q157 WeakPolarHBondContact O-CG 3.35Å; A153-Q157 PolarHBondContact O-N 2.98Å; K155-Q157 VanDerWaalsContact C-N 3.26Å; K155-Q157 PolarHBondContact O-N 3.22Å; Q157-T161 PolarHBondContact O-N 2.88Å; Q157-T161 PolarHBondContact O-OG1 3.04Å
158	E	77.9	Confident	70.6	Confident	111 Å²	111	88.1 Å²	88.1	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-70.4	-41.1	175.3	-73.1	179.9	158.9	0	0	111.5	K52 L154 K155 T161	K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.62Å; K52-E158 PolarHBondContact NZ-OE1 3.47Å; L154-E158 WeakPolarHBondContact O-CG 3.35Å; L154-E158 PolarHBondContact O-N 3.4Å; K155-E158 PolarHBondContact O-N 3.41Å; K155-E158 VanDerWaalsContact O-N 3.08Å; E158-T161 PolarHBondContact O-N 2.76Å; E158-T161 PolarHBondContact O-OG1 2.75Å
159	E	72.9	Confident	68.1	Low	150 Å²	150	91.3 Å²	91.3	70%	0.701	54%	0.535	S	S	*	.	H	α-helix	trans	-69.9	-39.3	178.8	-69	179.2	177.2	0	0	111.7	K155 T161 G162	K155-E159 PolarHBondContact O-N 2.97Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.44Å; E159-G162 PolarHBondContact O-N 3.03Å
160	G	59.1	Low	66	Low	65 Å²	65	99.5 Å²	99.5	67%	0.67	58%	0.576	S	S	*	*	H	α-helix	trans	-70.6	-13.9	178.4	0	0	0	0	0	115.4	E156	E156-G160 PolarHBondContact O-N 3.41Å
161	T	55.1	Low	63.6	Low	118 Å²	118	103.7 Å²	103.7	72%	0.724	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-7	175.2	38.4	0	0	0	0	113.4	Q157 E158 E159	Q157-T161 PolarHBondContact O-N 2.88Å; Q157-T161 PolarHBondContact O-OG1 3.04Å; E158-T161 PolarHBondContact O-N 2.76Å; E158-T161 PolarHBondContact O-OG1 2.75Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.44Å
162	G	44.1	Very low	61.3	Low	62 Å²	62	108.1 Å²	108.1	64%	0.639	63%	0.631	S	S	*	*	S	Bend	trans	-85.7	-6.1	-178.6	0	0	0	0	0	116.5	E159	E159-G162 PolarHBondContact O-N 3.03Å
163	D	37.1	Very low	59	Low	129 Å²	129	110.5 Å²	110.5	69%	0.69	64%	0.64	S	S	*	*			trans	-125.3	51.1	-170.4	-162.4	26.2	0	0	0	114.4
164	S	42.2	Very low	56.9	Low	117 Å²	117	115 Å²	115	82%	0.818	67%	0.671	S	S	*	*	S	Bend	trans	-129.5	44.6	165.6	-177.9	0	0	0	0	111.5
165	S	45.3	Very low	54.9	Low	94 Å²	94	122.1 Å²	122.1	66%	0.657	70%	0.704	S	S	*	*	S	Bend	trans	-158.7	120.5	159.2	55.1	0	0	0	0	110.7
166	S	43.5	Very low	53	Low	109 Å²	109	124.3 Å²	124.3	76%	0.762	72%	0.721	S	S	*	*			trans	82.9	87.3	167.9	67.9	0	0	0	0	119.1
167	E	41	Very low	51.2	Low	172 Å²	172	126.5 Å²	126.5	80%	0.804	73%	0.732	S	S	*	*				-148.4	96.6	117.7	47.5	-168.1	112.3	0	0	111.6	S169	E167-S169 PolarHBondContact O-N 2.91Å
168	S	43.8	Very low	49.9	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	75%	0.746	S	S	*	*			trans	-65.9	109.9	158.6	-41.5	0	0	0	0	108.3
169	S	43.8	Very low	48.3	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	77%	0.765	S	S	*	*			trans	-96.9	90.7	157.9	-88.7	0	0	0	0	109.4	E167	E167-S169 PolarHBondContact O-N 2.91Å
170	M	53.2	Low	47	Very low	172 Å²	172	129.5 Å²	129.5	85%	0.847	77%	0.765	S	S	*	*			trans	-69.7	144.2	144.1	-57.5	-165.9	170.9	0	0	105.8
171	S	45.7	Very low	46.4	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	77%	0.768	S	S	*	*			cis	-174.2	140.3	28.3	43.1	0	0	0	0	106.7
172	D	46.6	Very low	46.3	Very low	155 Å²	155	137 Å²	137	83%	0.829	78%	0.776	S	S	*	*			trans	-126.9	97.2	156.1	-165.1	34.7	0	0	0	108
173	F	45.8	Very low	46	Very low	170 Å²	170	146 Å²	146	75%	0.746	81%	0.808	S	S	*	*			trans	-119.4	102.6	174.3	-147.6	-92	0	0	0	105.2	E175	F173-E175 HydrophobicContact CD1-CG 4.26Å; F173-E175 HydrophobicContact CE1-CG 3.77Å; F173-E175 WeakPolarHBondContact CE1-OE2 3.42Å
174	S	50.2	Low	46.4	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	81%	0.814	S	S	*	*			trans	-121.5	93.7	164.4	59.8	0	0	0	0	107.9
175	E	48.9	Very low	46.6	Very low	158 Å²	158	148.5 Å²	148.5	74%	0.738	81%	0.814	S	S	*	*			trans	-73.5	125.5	154.4	-80	171.4	136.5	0	0	107.7	F173	F173-E175 HydrophobicContact CD1-CG 4.26Å; F173-E175 HydrophobicContact CE1-CG 3.77Å; F173-E175 WeakPolarHBondContact CE1-OE2 3.42Å
176	D	51.1	Low	46.7	Very low	166 Å²	166	151.5 Å²	151.5	89%	0.888	82%	0.823	S	S	*	*			trans	-133.8	98.4	156.6	-147.5	-80.5	0	0	0	106.8
177	E	49.5	Very low	46.9	Very low	181 Å²	181	154 Å²	154	85%	0.846	83%	0.826	S	S	*	*			trans	-81.3	124.9	170.4	-95.2	-155.8	118.2	0	0	110.2
178	A	51.6	Low	47.3	Very low	86 Å²	86	152.9 Å²	152.9	71%	0.711	83%	0.827	S	S	*	*			trans	41.4	114.4	137.1	0	0	0	0	0	120.8
179	Q	44.1	Very low	47.5	Very low	197 Å²	197	155.5 Å²	155.5	92%	0.921	83%	0.83	S	S	*	*			trans	-155.9	148.9	138.4	-96.1	163.6	29.1	0	0	106
180	D	45.2	Very low	47.8	Very low	128 Å²	128	158.3 Å²	158.3	68%	0.684	83%	0.831	S	S	*	*			cis	-169.9	157.9	-16.2	-171.3	9.3	0	0	0	104.3
181	M	47.7	Very low	47.3	Very low	152 Å²	152	157.2 Å²	157.2	75%	0.749	83%	0.83	S	S	*	*			trans	10.8	126	167	-80.4	174.9	-88.5	0	0	122.2
182	E	51.3	Low	47.5	Very low	188 Å²	188	161.3 Å²	161.3	88%	0.879	84%	0.836	S	S	*	*				172.6	113	110.9	-94.7	-169.1	125.2	0	0	111.5
183	L	38	Very low	47.6	Very low	252 Å²	252	161.9 Å²	161.9	100%	1.319	84%	0.836	S	S	*	*				172.2	0	128.1	-90.2	169.3	0	0	0	111.1

Retrieved 183 of 183 residues in 193 ms (Link to these results)

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