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Ubiquitin-conjugating enzyme E2 H

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

AlphaFold DB , UniProt , Accession G7P0N1, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 165 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	I	42	Very low	77.2	Confident	222 Å²	222	111.7 Å²	111.7	100%	1.138	61%	0.611	S	S	*	*				0	95.7	0	-59.6	168.1	0	0	0	104.3	S3	I1-S3 PolarHBondContact O-N 3.49Å
2	E	42.5	Very low	78.2	Confident	187 Å²	187	104.3 Å²	104.3	87%	0.874	58%	0.579	S	S	*	*			trans	-64	122.1	176	-77.6	171.6	153.1	0	0	107.4	K4	E2-K4 PolarHBondContact O-N 2.57Å; E2-K4 VanDerWaalsContact O-N 3.14Å
3	S	53.4	Low	79.2	Confident	83 Å²	83	107.2 Å²	107.2	58%	0.58	59%	0.592	S	S	*	*			trans	-62.6	114.8	171.8	172.9	0	0	0	0	107.5	I1 H5	I1-S3 PolarHBondContact O-N 3.49Å; S3-H5 PolarHBondContact O-N 3.3Å; S3-H5 PolarHBondContact OG-N 3.31Å; S3-H5 PolarHBondContact OG-O 3.43Å
4	K	80.1	Confident	80.3	Confident	171 Å²	171	105.6 Å²	105.6	74%	0.743	58%	0.582	S	S	*	*	S	Bend	trans	-65.2	-14.8	173.4	-55.6	176.9	-164.6	158.4	0	112.1	E2 E88	E2-K4 PolarHBondContact O-N 2.57Å; E2-K4 VanDerWaalsContact O-N 3.14Å; K4-E88 IonicContact NZ-OE1 2.88Å; K4-E88 PolarHBondContact NZ-OE1 3.12Å
5	H	84.4	Confident	81.4	Confident	47 Å²	47	101.4 Å²	101.4	22%	0.218	56%	0.556	C	S	.	*	S	Bend	trans	-102.3	133.2	-177.8	-59.7	-68.3	0	0	0	110.5	S3 V7 V18 E88	S3-H5 PolarHBondContact O-N 3.3Å; S3-H5 PolarHBondContact OG-N 3.31Å; S3-H5 PolarHBondContact OG-O 3.43Å; H5-V7 HydrophobicContact CB-CG2 4.39Å; H5-V7 PolarHBondContact O-N 3.47Å; H5-V18 HydrophobicContact CB-CG1 3.82Å; H5-E88 IonicContact NE2-OE1 3.7Å
6	E	90.6	Very high	82.4	Confident	109 Å²	109	96.5 Å²	96.5	51%	0.509	53%	0.528	S	S	.	.			trans	-77	110.9	171	-63.8	171.5	-130.7	0	0	108.5	V18 K19	E6-V18 WeakPolarHBondContact O-CA 3.45Å; E6-K19 HydrophobicContact CB-CB 3.98Å; E6-K19 PolarHBondContact O-N 3.29Å; E6-K19 WeakPolarHBondContact OE2-CD 3.5Å
7	V	92.9	Very high	83.3	Confident	74 Å²	74	91.5 Å²	91.5	45%	0.448	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.8	-176.9	-175.1	0	0	0	0	110	H5 F16 V17 V18	H5-V7 HydrophobicContact CB-CG2 4.39Å; H5-V7 PolarHBondContact O-N 3.47Å; V7-F16 HydrophobicContact CG1-CB 4.08Å; V7-F16 HydrophobicContact CG1-CD2 4.08Å; V7-F16 HydrophobicContact CG1-CG 4.34Å; V7-V17 WeakPolarHBondContact CA-O 3.48Å; V7-V18 HydrophobicContact CG1-CG2 4.41Å; V7-V18 HydrophobicContact CG2-CG2 4.13Å
8	T	94.3	Very high	84	Confident	89 Å²	89	86.4 Å²	86.4	55%	0.546	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.8	173.2	-57	0	0	0	0	109	F16 V17	T8-F16 CarbonylContact O-C 3.57Å; T8-F16 WeakPolarHBondContact O-CA 3.35Å; T8-V17 PolarHBondContact N-O 2.81Å; T8-V17 PolarHBondContact O-N 3.42Å
9	I	93.6	Very high	84.7	Confident	97 Å²	97	83.9 Å²	83.9	50%	0.497	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	136.3	175.6	-61.6	166.8	0	0	0	108.7	G12 L13	I9-G12 WeakPolarHBondContact CG2-O 3.45Å; I9-L13 HydrophobicContact CD1-CD2 3.86Å
10	L	92	Very high	85.4	Confident	75 Å²	75	80.2 Å²	80.2	39%	0.393	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-117.6	176.9	-59.7	-175.3	0	0	0	110.4	G12 E15 V17	L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 2.96Å; L10-E15 HydrophobicContact CB-CB 4.44Å; L10-E15 HydrophobicContact CB-CG 3.89Å; L10-E15 HydrophobicContact CD1-CG 3.78Å; L10-E15 WeakPolarHBondContact CD1-OE1 3.39Å; L10-E15 HydrophobicContact CG-CG 4.26Å; L10-E15 PolarHBondContact N-O 3.11Å; L10-V17 HydrophobicContact CD1-CG2 3.71Å; L10-V17 HydrophobicContact CD2-CG2 4.07Å; L10-V17 HydrophobicContact CG-CG2 4Å
11	G	83.2	Confident	85.9	Confident	75 Å²	75	81.9 Å²	81.9	77%	0.773	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	-18.7	-178.3	0	0	0	0	0	114.7
12	G	89.1	Confident	88.6	Confident	22 Å²	22	71.8 Å²	71.8	23%	0.227	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	175.7	-178.4	0	0	0	0	0	113.1	I9 L10 N14 E15	I9-G12 WeakPolarHBondContact CG2-O 3.45Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 2.96Å; G12-N14 PolarHBondContact O-N 2.97Å; G12-N14 VanDerWaalsContact O-N 3.11Å; G12-E15 CarbonylContact O-C 3.52Å; G12-E15 PolarHBondContact O-N 3.09Å
13	L	91.9	Very high	91.2	Very high	143 Å²	143	64 Å²	64	75%	0.749	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.1	-179.5	-63.2	178.8	0	0	0	113.8	I9 E15	I9-L13 HydrophobicContact CD1-CD2 3.86Å; L13-E15 VanDerWaalsContact C-N 3.33Å
14	N	94.7	Very high	93.3	Very high	84 Å²	84	68.2 Å²	68.2	45%	0.449	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.8	174.5	64.8	-32.9	0	0	0	113.1	G12 D38 L39	G12-N14 PolarHBondContact O-N 2.97Å; G12-N14 VanDerWaalsContact O-N 3.11Å; N14-D38 CarbonylContact O-C 3.52Å; N14-D38 WeakPolarHBondContact O-CA 3.47Å; N14-L39 HydrophobicContact CB-CB 4.11Å; N14-L39 PolarHBondContact O-N 3.29Å
15	E	96.6	Very high	94	Very high	43 Å²	43	63.8 Å²	63.8	20%	0.201	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	112.6	-178.5	-177.2	-172.8	-175.2	0	0	109.7	L10 G12 L13 R36 V37 D38	L10-E15 HydrophobicContact CB-CB 4.44Å; L10-E15 HydrophobicContact CB-CG 3.89Å; L10-E15 HydrophobicContact CD1-CG 3.78Å; L10-E15 WeakPolarHBondContact CD1-OE1 3.39Å; L10-E15 HydrophobicContact CG-CG 4.26Å; L10-E15 PolarHBondContact N-O 3.11Å; G12-E15 CarbonylContact O-C 3.52Å; G12-E15 PolarHBondContact O-N 3.09Å; L13-E15 VanDerWaalsContact C-N 3.33Å; E15-R36 VanDerWaalsContact CD-NH2 3.31Å; E15-R36 IonicContact OE1-CZ 3.73Å; E15-R36 IonicContact OE1-NE 2.75Å; E15-R36 PolarHBondContact OE1-NE 2.99Å; E15-R36 IonicContact OE1-NH1 3.36Å; E15-R36 PolarHBondContact OE1-NH1 3.38Å; E15-R36 IonicContact OE1-NH2 2.84Å; E15-R36 PolarHBondContact OE1-NH2 2.97Å; E15-V37 WeakPolarHBondContact CA-O 3.37Å; E15-D38 WeakPolarHBondContact CG-OD1 3.46Å
16	F	96.8	Very high	94.6	Very high	23 Å²	23	62.6 Å²	62.6	10%	0.101	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156	-177.7	56	-89.9	0	0	0	111.6	V7 T8 V18 R36 V37 L39 L83	V7-F16 HydrophobicContact CG1-CB 4.08Å; V7-F16 HydrophobicContact CG1-CD2 4.08Å; V7-F16 HydrophobicContact CG1-CG 4.34Å; T8-F16 CarbonylContact O-C 3.57Å; T8-F16 WeakPolarHBondContact O-CA 3.35Å; F16-V18 HydrophobicContact CD2-CG2 3.68Å; F16-V18 HydrophobicContact CE2-CG2 3.88Å; F16-R36 WeakPolarHBondContact O-CA 3.46Å; F16-V37 HydrophobicContact CD2-CB 4.11Å; F16-V37 HydrophobicContact CE1-CB 4.26Å; F16-V37 HydrophobicContact CE1-CG1 4.11Å; F16-V37 HydrophobicContact CE2-CB 3.63Å; F16-V37 HydrophobicContact CE2-CG1 4.01Å; F16-V37 HydrophobicContact CE2-CG2 3.92Å; F16-V37 HydrophobicContact CZ-CB 3.72Å; F16-V37 HydrophobicContact CZ-CG1 3.59Å; F16-V37 HydrophobicContact CZ-CG2 4.36Å; F16-V37 PolarHBondContact N-O 2.83Å; F16-V37 PolarHBondContact O-N 2.8Å; F16-L39 HydrophobicContact CE1-CD1 4.2Å; F16-L39 HydrophobicContact CE1-CD2 4.23Å; F16-L39 HydrophobicContact CE1-CG 4.1Å; F16-L83 HydrophobicContact CZ-CD1 4.27Å
17	V	97.5	Very high	95	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.2	176.4	179.3	0	0	0	0	108.4	V7 T8 L10 K34 V35 R36 M53	V7-V17 WeakPolarHBondContact CA-O 3.48Å; T8-V17 PolarHBondContact N-O 2.81Å; T8-V17 PolarHBondContact O-N 3.42Å; L10-V17 HydrophobicContact CD1-CG2 3.71Å; L10-V17 HydrophobicContact CD2-CG2 4.07Å; L10-V17 HydrophobicContact CG-CG2 4Å; V17-K34 HydrophobicContact CG1-CB 3.73Å; V17-K34 HydrophobicContact CG1-CG 4.14Å; V17-V35 CarbonylContact C-O 3.6Å; V17-V35 WeakPolarHBondContact CA-O 3.49Å; V17-R36 HydrophobicContact CG2-CB 4.3Å; V17-M53 HydrophobicContact CB-SD 4.44Å; V17-M53 HydrophobicContact CG1-SD 3.97Å; V17-M53 HydrophobicContact CG2-SD 3.53Å; V17-M53 VanDerWaalsContact CG2-SD 3.53Å
18	V	97	Very high	95.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.3	176.7	-174.3	0	0	0	0	109.3	H5 E6 V7 F16 F20 V35 F87	H5-V18 HydrophobicContact CB-CG1 3.82Å; E6-V18 WeakPolarHBondContact O-CA 3.45Å; V7-V18 HydrophobicContact CG1-CG2 4.41Å; V7-V18 HydrophobicContact CG2-CG2 4.13Å; F16-V18 HydrophobicContact CD2-CG2 3.68Å; F16-V18 HydrophobicContact CE2-CG2 3.88Å; V18-F20 PolarHBondContact O-N 2.81Å; V18-V35 PolarHBondContact N-O 2.8Å; V18-V35 PolarHBondContact O-N 2.63Å; V18-F87 HydrophobicContact CB-CD1 4.28Å; V18-F87 HydrophobicContact CB-CE1 3.6Å; V18-F87 HydrophobicContact CB-CE2 4.02Å; V18-F87 HydrophobicContact CB-CZ 3.44Å; V18-F87 VanDerWaalsContact CB-CZ 3.44Å; V18-F87 HydrophobicContact CG1-CD1 4.07Å; V18-F87 HydrophobicContact CG1-CD2 4.32Å; V18-F87 HydrophobicContact CG1-CE1 3.91Å; V18-F87 HydrophobicContact CG1-CE2 4.16Å; V18-F87 HydrophobicContact CG1-CG 4.28Å; V18-F87 HydrophobicContact CG1-CZ 3.94Å; V18-F87 HydrophobicContact CG2-CE1 4.08Å; V18-F87 HydrophobicContact CG2-CE2 3.64Å; V18-F87 HydrophobicContact CG2-CZ 3.36Å
19	K	96.8	Very high	95.4	Very high	39 Å²	39	56.8 Å²	56.8	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.6	170.3	-163.5	175.7	-176.1	178	0	109.5	E6 Y21 V32 E133	E6-K19 HydrophobicContact CB-CB 3.98Å; E6-K19 PolarHBondContact O-N 3.29Å; E6-K19 WeakPolarHBondContact OE2-CD 3.5Å; K19-Y21 HydrophobicContact CD-CE2 4.43Å; K19-Y21 VanDerWaalsContact CE-OH 3.26Å; K19-Y21 WeakPolarHBondContact CE-OH 3.44Å; K19-Y21 HydrophobicContact CG-CE2 4.38Å; K19-Y21 PolarHBondContact NZ-OH 2.72Å; K19-V32 HydrophobicContact CD-CG1 4.27Å; K19-V32 HydrophobicContact CG-CG1 3.89Å; K19-E133 WeakPolarHBondContact CE-OE1 3.39Å; K19-E133 IonicContact NZ-OE1 2.57Å; K19-E133 PolarHBondContact NZ-OE1 3.47Å; K19-E133 IonicContact NZ-OE2 3.15Å; K19-E133 PolarHBondContact NZ-OE2 2.82Å
20	F	97.7	Very high	95.6	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	-175.6	175.8	-105.6	0	0	0	110.6	V18 W33 V35 F52 F87 L91 P92 L95	V18-F20 PolarHBondContact O-N 2.81Å; F20-W33 HydrophobicContact CD1-CE3 4.18Å; F20-W33 PolarHBondContact N-O 2.9Å; F20-W33 PolarHBondContact O-N 3.34Å; F20-V35 HydrophobicContact CB-CG2 3.65Å; F20-V35 HydrophobicContact CD1-CG2 4.37Å; F20-V35 HydrophobicContact CG-CG2 4.23Å; F20-F52 HydrophobicContact CD1-CE1 4.14Å; F20-F52 HydrophobicContact CD1-CZ 4.43Å; F20-F52 HydrophobicContact CE1-CE1 4.49Å; F20-F87 HydrophobicContact CD2-CD1 4.14Å; F20-L91 HydrophobicContact CD2-CD1 4.32Å; F20-L91 HydrophobicContact CE1-CB 4.47Å; F20-L91 HydrophobicContact CE2-CB 3.9Å; F20-L91 HydrophobicContact CE2-CD1 4.39Å; F20-L91 HydrophobicContact CZ-CB 3.81Å; F20-P92 HydrophobicContact CE2-CG 4.24Å; F20-P92 HydrophobicContact CZ-CG 4.48Å; F20-L95 HydrophobicContact CE1-CD2 3.75Å; F20-L95 HydrophobicContact CZ-CD2 4.22Å
21	Y	97.6	Very high	95.9	Very high	117 Å²	117	51.6 Å²	51.6	46%	0.459	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.2	177.9	-65	-83.9	0	0	0	110.1	K19 V32	K19-Y21 HydrophobicContact CD-CE2 4.43Å; K19-Y21 VanDerWaalsContact CE-OH 3.26Å; K19-Y21 WeakPolarHBondContact CE-OH 3.44Å; K19-Y21 HydrophobicContact CG-CE2 4.38Å; K19-Y21 PolarHBondContact NZ-OH 2.72Å; Y21-V32 HydrophobicContact CD1-CG1 4.33Å; Y21-V32 HydrophobicContact CD1-CG2 3.81Å; Y21-V32 HydrophobicContact CE1-CG1 4.04Å; Y21-V32 HydrophobicContact CE1-CG2 3.8Å
22	G	97.8	Very high	96.6	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-58.6	135.5	177.6	0	0	0	0	0	112.3	Y28 G31	G22-Y28 WeakPolarHBondContact CA-O 3.34Å; G22-G31 PolarHBondContact N-O 2.76Å
23	P	97.9	Very high	97.1	Very high	23 Å²	23	47.5 Å²	47.5	15%	0.149	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.7	138.8	-175.3	24.2	-31.7	0	0	0	112.2	T26 P92 L95	P23-T26 HydrophobicContact CB-CG2 4.01Å; P23-T26 HydrophobicContact CG-CG2 3.7Å; P23-T26 WeakPolarHBondContact CG-OG1 3.5Å; P23-T26 PolarHBondContact O-N 3.29Å; P23-T26 PolarHBondContact O-OG1 3.1Å; P23-P92 HydrophobicContact CB-CB 4.17Å; P23-L95 HydrophobicContact CG-CB 3.99Å; P23-L95 HydrophobicContact CG-CD2 4.28Å
24	Q	96	Very high	97.4	Very high	172 Å²	172	43 Å²	43	80%	0.804	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	146.4	176.6	-66.5	-179.5	0	0	0	111.7	T26	Q24-T26 PolarHBondContact O-N 3.34Å
25	G	95.4	Very high	97.5	Very high	77 Å²	77	39 Å²	39	79%	0.794	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	7.8	-178.9	0	0	0	0	0	114.1	E29	G25-E29 PolarHBondContact N-OE2 3.23Å
26	T	97.9	Very high	97.6	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.141	23%	0.231	C	C	.	.	S	Bend	trans	-113.2	164.7	175.6	79	0	0	0	0	110.8	P23 Q24 Y28 E29 A96	P23-T26 HydrophobicContact CB-CG2 4.01Å; P23-T26 HydrophobicContact CG-CG2 3.7Å; P23-T26 WeakPolarHBondContact CG-OG1 3.5Å; P23-T26 PolarHBondContact O-N 3.29Å; P23-T26 PolarHBondContact O-OG1 3.1Å; Q24-T26 PolarHBondContact O-N 3.34Å; T26-Y28 PolarHBondContact O-N 3.28Å; T26-Y28 VanDerWaalsContact O-N 3.08Å; T26-Y28 PolarHBondContact OG1-N 3.02Å; T26-E29 WeakPolarHBondContact O-CB 3.26Å; T26-E29 PolarHBondContact O-N 3.3Å; T26-E29 VanDerWaalsContact O-N 3.16Å; T26-A96 HydrophobicContact CG2-CB 3.89Å
27	P	98.1	Very high	97.6	Very high	35 Å²	35	40.1 Å²	40.1	23%	0.227	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	174.1	-20.2	33.6	0	0	0	113.5	K120 I123	P27-K120 HydrophobicContact CB-CB 4.47Å; P27-K120 HydrophobicContact CB-CG 4.15Å; P27-K120 HydrophobicContact CG-CG 3.86Å; P27-I123 HydrophobicContact CB-CB 4.29Å; P27-I123 HydrophobicContact CB-CD1 3.8Å; P27-I123 HydrophobicContact CB-CG2 4.12Å; P27-I123 HydrophobicContact CG-CD1 4.4Å; P27-I123 VanDerWaalsContact O-CG2 3.28Å; P27-I123 WeakPolarHBondContact O-CG2 3.38Å
28	Y	98.6	Very high	97.7	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.4	-178.8	-59	-83.1	0	0	0	113.7	G22 T26 G30 G31 W33 I56 F57 H58 L95 Y119 I123	G22-Y28 WeakPolarHBondContact CA-O 3.34Å; T26-Y28 PolarHBondContact O-N 3.28Å; T26-Y28 VanDerWaalsContact O-N 3.08Å; T26-Y28 PolarHBondContact OG1-N 3.02Å; Y28-G30 PolarHBondContact O-N 3.04Å; Y28-G31 PolarHBondContact O-N 3.15Å; Y28-G31 VanDerWaalsContact O-N 3.07Å; Y28-W33 AromaticContact CD1-CH2 3.91Å; Y28-W33 HydrophobicContact CD1-CH2 3.91Å; Y28-W33 HydrophobicContact CD1-CZ2 4.24Å; Y28-W33 HydrophobicContact CG-CH2 4.44Å; Y28-I56 HydrophobicContact CD1-CD1 4.12Å; Y28-I56 HydrophobicContact CD1-CG1 4.32Å; Y28-I56 HydrophobicContact CE1-CD1 3.96Å; Y28-I56 HydrophobicContact CE1-CG1 3.89Å; Y28-F57 PolarHBondContact OH-O 3.4Å; Y28-H58 AromaticContact CZ-CD2 3.78Å; Y28-H58 WeakPolarHBondContact OH-CB 3.5Å; Y28-H58 PolarHBondContact OH-CD2 2.87Å; Y28-L95 HydrophobicContact CD1-CD2 4.08Å; Y28-L95 HydrophobicContact CD1-CG 4.3Å; Y28-L95 HydrophobicContact CD2-CB 3.7Å; Y28-L95 HydrophobicContact CD2-CD2 4Å; Y28-L95 HydrophobicContact CD2-CG 3.78Å; Y28-L95 HydrophobicContact CE1-CG 4.44Å; Y28-L95 HydrophobicContact CE2-CB 3.97Å; Y28-L95 HydrophobicContact CE2-CG 3.96Å; Y28-L95 VanDerWaalsContact CE2-O 3.24Å; Y28-L95 WeakPolarHBondContact CE2-O 3.28Å; Y28-L95 HydrophobicContact CG-CB 4.3Å; Y28-L95 HydrophobicContact CG-CD2 3.71Å; Y28-L95 HydrophobicContact CG-CG 3.97Å; Y28-Y119 PolarHBondContact OH-OH 3.42Å; Y28-I123 HydrophobicContact CD1-CG2 3.73Å; Y28-I123 HydrophobicContact CE1-CD1 3.94Å; Y28-I123 HydrophobicContact CE1-CG1 4.15Å; Y28-I123 HydrophobicContact CE1-CG2 3.85Å; Y28-I123 HydrophobicContact CE2-CD1 4Å; Y28-I123 HydrophobicContact CG-CG2 4.26Å; Y28-I123 WeakPolarHBondContact OH-CD1 3.33Å
29	E	98.2	Very high	97.7	Very high	113 Å²	113	42.8 Å²	42.8	53%	0.528	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	134.4	-178.8	-175.9	177.9	150.3	0	0	111.9	G25 T26 G31	G25-E29 PolarHBondContact N-OE2 3.23Å; T26-E29 WeakPolarHBondContact O-CB 3.26Å; T26-E29 PolarHBondContact O-N 3.3Å; T26-E29 VanDerWaalsContact O-N 3.16Å; E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 3.29Å
30	G	96.9	Very high	97.7	Very high	63 Å²	63	42.9 Å²	42.9	65%	0.649	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-9.2	-178.6	0	0	0	0	0	114.8	Y28	Y28-G30 PolarHBondContact O-N 3.04Å
31	G	98.2	Very high	97.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	29%	0.286	C	S	.	.			trans	-77.3	150.9	171.5	0	0	0	0	0	113	G22 Y28 E29 W33 A131	G22-G31 PolarHBondContact N-O 2.76Å; Y28-G31 PolarHBondContact O-N 3.15Å; Y28-G31 VanDerWaalsContact O-N 3.07Å; E29-G31 VanDerWaalsContact C-N 3.26Å; E29-G31 PolarHBondContact O-N 3.29Å; G31-W33 VanDerWaalsContact C-CZ3 3.44Å; G31-A131 CarbonylContact C-O 3.55Å; G31-A131 WeakPolarHBondContact CA-O 3.27Å
32	V	98.2	Very high	97.7	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.4	179.4	-170.3	0	0	0	0	109.3	K19 Y21 N54 A131 E133 L136	K19-V32 HydrophobicContact CD-CG1 4.27Å; K19-V32 HydrophobicContact CG-CG1 3.89Å; Y21-V32 HydrophobicContact CD1-CG1 4.33Å; Y21-V32 HydrophobicContact CD1-CG2 3.81Å; Y21-V32 HydrophobicContact CE1-CG1 4.04Å; Y21-V32 HydrophobicContact CE1-CG2 3.8Å; V32-N54 PolarHBondContact O-ND2 3.34Å; V32-N54 VanDerWaalsContact O-ND2 3.11Å; V32-A131 PolarHBondContact N-O 2.76Å; V32-A131 WeakPolarHBondContact O-CA 3.43Å; V32-A131 WeakPolarHBondContact O-CB 3.15Å; V32-E133 HydrophobicContact CG2-CG 4.38Å; V32-L136 HydrophobicContact CB-CD1 4.05Å; V32-L136 HydrophobicContact CG1-CD1 3.68Å
33	W	98.6	Very high	97.6	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.011	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.6	-179.7	-66.4	-89.8	0	0	0	112.5	F20 Y28 G31 V35 F52 N54 K55 I56 I127 A131	F20-W33 HydrophobicContact CD1-CE3 4.18Å; F20-W33 PolarHBondContact N-O 2.9Å; F20-W33 PolarHBondContact O-N 3.34Å; Y28-W33 AromaticContact CD1-CH2 3.91Å; Y28-W33 HydrophobicContact CD1-CH2 3.91Å; Y28-W33 HydrophobicContact CD1-CZ2 4.24Å; Y28-W33 HydrophobicContact CG-CH2 4.44Å; G31-W33 VanDerWaalsContact C-CZ3 3.44Å; W33-V35 HydrophobicContact CB-CG2 4.3Å; W33-F52 HydrophobicContact CB-CD1 3.63Å; W33-F52 HydrophobicContact CB-CE1 3.86Å; W33-F52 AromaticContact CD1-CD1 3.63Å; W33-F52 HydrophobicContact CD2-CD1 4.29Å; W33-F52 HydrophobicContact CD2-CE1 4.17Å; W33-F52 AromaticContact CG-CD1 3.57Å; W33-F52 HydrophobicContact CG-CD1 3.57Å; W33-F52 AromaticContact CG-CE1 3.83Å; W33-F52 HydrophobicContact CG-CE1 3.83Å; W33-N54 WeakPolarHBondContact CA-OD1 3.4Å; W33-N54 WeakPolarHBondContact CB-OD1 3.34Å; W33-N54 VanDerWaalsContact CD1-CG 3.49Å; W33-K55 PolarHBondContact NE1-O 3.14Å; W33-K55 VanDerWaalsContact NE1-O 3.08Å; W33-I56 HydrophobicContact CD2-CD1 4.42Å; W33-I56 HydrophobicContact CZ2-CD1 4.09Å; W33-I56 HydrophobicContact CZ2-CG1 4.13Å; W33-I127 HydrophobicContact CH2-CD1 4.21Å; W33-I127 HydrophobicContact CH2-CG1 3.98Å; W33-I127 HydrophobicContact CZ2-CG1 3.98Å; W33-A131 HydrophobicContact CD2-CB 4.12Å; W33-A131 HydrophobicContact CG-CB 4.43Å; W33-A131 HydrophobicContact CZ2-CB 3.77Å
34	K	98.1	Very high	97.5	Very high	47 Å²	47	55.5 Å²	55.5	20%	0.204	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.3	163.1	-74.9	176	-177.1	169	0	108.2	V17 M53 N54 L136 E140	V17-K34 HydrophobicContact CG1-CB 3.73Å; V17-K34 HydrophobicContact CG1-CG 4.14Å; K34-M53 HydrophobicContact CB-CB 4.01Å; K34-M53 HydrophobicContact CB-CG 4.3Å; K34-M53 HydrophobicContact CB-SD 4.25Å; K34-M53 WeakPolarHBondContact O-CB 3.36Å; K34-M53 PolarHBondContact O-N 2.75Å; K34-N54 PolarHBondContact N-OD1 3.22Å; K34-L136 HydrophobicContact CD-CD2 4.38Å; K34-L136 HydrophobicContact CG-CD2 4.36Å; K34-E140 WeakPolarHBondContact CE-OE1 3.39Å; K34-E140 VanDerWaalsContact NZ-CG 3.27Å; K34-E140 IonicContact NZ-OE1 3.68Å; K34-E140 PolarHBondContact NZ-OE1 3.16Å
35	V	98.3	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.1	-178.6	179.7	0	0	0	0	108.5	V17 V18 F20 W33 I50 G51 F52 F87 L91	V17-V35 CarbonylContact C-O 3.6Å; V17-V35 WeakPolarHBondContact CA-O 3.49Å; V18-V35 PolarHBondContact N-O 2.8Å; V18-V35 PolarHBondContact O-N 2.63Å; F20-V35 HydrophobicContact CB-CG2 3.65Å; F20-V35 HydrophobicContact CD1-CG2 4.37Å; F20-V35 HydrophobicContact CG-CG2 4.23Å; W33-V35 HydrophobicContact CB-CG2 4.3Å; V35-I50 HydrophobicContact CG1-CG2 3.49Å; V35-I50 VanDerWaalsContact CG1-CG2 3.49Å; V35-G51 CarbonylContact C-O 3.58Å; V35-G51 WeakPolarHBondContact CA-O 3.43Å; V35-F52 HydrophobicContact CG2-CD1 3.97Å; V35-F52 HydrophobicContact CG2-CE1 3.79Å; V35-F52 HydrophobicContact CG2-CG 4.41Å; V35-F52 HydrophobicContact CG2-CZ 4.08Å; V35-F87 HydrophobicContact CB-CE1 4Å; V35-F87 HydrophobicContact CG1-CE1 3.92Å; V35-L91 HydrophobicContact CG1-CD1 4.21Å
36	R	98	Very high	97.7	Very high	90 Å²	90	58 Å²	58	34%	0.34	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.2	172.7	178.6	179.7	165.5	154.7	7	109.7	E15 F16 V17 D38 I50 G51 M53	E15-R36 VanDerWaalsContact CD-NH2 3.31Å; E15-R36 IonicContact OE1-CZ 3.73Å; E15-R36 IonicContact OE1-NE 2.75Å; E15-R36 PolarHBondContact OE1-NE 2.99Å; E15-R36 IonicContact OE1-NH1 3.36Å; E15-R36 PolarHBondContact OE1-NH1 3.38Å; E15-R36 IonicContact OE1-NH2 2.84Å; E15-R36 PolarHBondContact OE1-NH2 2.97Å; F16-R36 WeakPolarHBondContact O-CA 3.46Å; V17-R36 HydrophobicContact CG2-CB 4.3Å; R36-D38 IonicContact CZ-OD1 2.78Å; R36-D38 IonicContact CZ-OD2 3.32Å; R36-D38 IonicContact NE-OD1 2.76Å; R36-D38 PolarHBondContact NE-OD1 3.04Å; R36-D38 VanDerWaalsContact NE-OD1 3.15Å; R36-D38 IonicContact NE-OD2 3.54Å; R36-D38 PolarHBondContact NE-OD2 2.89Å; R36-D38 IonicContact NH2-OD1 3.53Å; R36-D38 PolarHBondContact NH2-OD1 3.43Å; R36-D38 IonicContact NH2-OD2 3.95Å; R36-I50 WeakPolarHBondContact O-CA 3.35Å; R36-G51 PolarHBondContact N-O 3.06Å; R36-G51 PolarHBondContact O-N 3.25Å; R36-M53 HydrophobicContact CB-CG 3.95Å; R36-M53 HydrophobicContact CB-SD 4.19Å
37	V	98	Very high	97.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.2	174	-178.7	0	0	0	0	108.5	E15 F16 L39 P48 S49 F87	E15-V37 WeakPolarHBondContact CA-O 3.37Å; F16-V37 HydrophobicContact CD2-CB 4.11Å; F16-V37 HydrophobicContact CE1-CB 4.26Å; F16-V37 HydrophobicContact CE1-CG1 4.11Å; F16-V37 HydrophobicContact CE2-CB 3.63Å; F16-V37 HydrophobicContact CE2-CG1 4.01Å; F16-V37 HydrophobicContact CE2-CG2 3.92Å; F16-V37 HydrophobicContact CZ-CB 3.72Å; F16-V37 HydrophobicContact CZ-CG1 3.59Å; F16-V37 HydrophobicContact CZ-CG2 4.36Å; F16-V37 PolarHBondContact N-O 2.83Å; F16-V37 PolarHBondContact O-N 2.8Å; V37-L39 HydrophobicContact CG1-CD2 3.99Å; V37-P48 HydrophobicContact CG1-CB 3.84Å; V37-S49 WeakPolarHBondContact CA-O 3.41Å; V37-F87 HydrophobicContact CG2-CE2 4.4Å; V37-F87 HydrophobicContact CG2-CZ 3.68Å
38	D	98	Very high	97.7	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.214	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125	172.8	-54.8	-102.1	0	0	0	109.7	N14 E15 R36 P48 S49	N14-D38 CarbonylContact O-C 3.52Å; N14-D38 WeakPolarHBondContact O-CA 3.47Å; E15-D38 WeakPolarHBondContact CG-OD1 3.46Å; R36-D38 IonicContact CZ-OD1 2.78Å; R36-D38 IonicContact CZ-OD2 3.32Å; R36-D38 IonicContact NE-OD1 2.76Å; R36-D38 PolarHBondContact NE-OD1 3.04Å; R36-D38 VanDerWaalsContact NE-OD1 3.15Å; R36-D38 IonicContact NE-OD2 3.54Å; R36-D38 PolarHBondContact NE-OD2 2.89Å; R36-D38 IonicContact NH2-OD1 3.53Å; R36-D38 PolarHBondContact NH2-OD1 3.43Å; R36-D38 IonicContact NH2-OD2 3.95Å; D38-P48 VanDerWaalsContact O-CA 3.31Å; D38-P48 WeakPolarHBondContact O-CA 3.32Å; D38-S49 WeakPolarHBondContact CB-OG 3.12Å; D38-S49 PolarHBondContact N-O 2.85Å; D38-S49 PolarHBondContact O-N 2.9Å
39	L	97.8	Very high	97.6	Very high	28 Å²	28	58.3 Å²	58.3	15%	0.147	30%	0.298	C	S	.	.			trans	-91.4	122.3	176.6	-51.5	-172.5	0	0	0	109.1	N14 F16 V37 Y43 P48 L83	N14-L39 HydrophobicContact CB-CB 4.11Å; N14-L39 PolarHBondContact O-N 3.29Å; F16-L39 HydrophobicContact CE1-CD1 4.2Å; F16-L39 HydrophobicContact CE1-CD2 4.23Å; F16-L39 HydrophobicContact CE1-CG 4.1Å; V37-L39 HydrophobicContact CG1-CD2 3.99Å; L39-Y43 HydrophobicContact CB-CD2 4.42Å; L39-Y43 HydrophobicContact CB-CG 4.35Å; L39-Y43 HydrophobicContact CD1-CD1 4.48Å; L39-Y43 HydrophobicContact CD2-CD2 4.03Å; L39-Y43 HydrophobicContact CD2-CE2 4.02Å; L39-P48 HydrophobicContact CD2-CB 3.8Å; L39-L83 HydrophobicContact CD1-CD1 4.26Å; L39-L83 HydrophobicContact CD2-CD1 4.38Å; L39-L83 HydrophobicContact CD2-CD2 3.93Å
40	P	97.4	Very high	97.6	Very high	42 Å²	42	53.1 Å²	53.1	27%	0.273	27%	0.274	S	S	.	.			trans	-73.6	160.5	177.5	31.3	-37.1	0	0	0	111.8	K42 Y43 K46 S47	P40-K42 PolarHBondContact O-N 3.37Å; P40-Y43 WeakPolarHBondContact O-CB 3.36Å; P40-Y43 PolarHBondContact O-N 2.84Å; P40-K46 HydrophobicContact CB-CB 4.35Å; P40-K46 HydrophobicContact CG-CB 3.61Å; P40-S47 WeakPolarHBondContact CD-O 3.48Å; P40-S47 WeakPolarHBondContact CG-O 3.16Å
41	D	97.1	Very high	97.7	Very high	168 Å²	168	50.8 Å²	50.8	90%	0.898	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.2	177.6	-61.8	-17.1	0	0	0	114.4
42	K	96.9	Very high	97.7	Very high	141 Å²	141	50.9 Å²	50.9	61%	0.613	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	15.7	-179.5	-61.2	-172.7	-180	-176.4	0	113.1	P40 F45 K46	P40-K42 PolarHBondContact O-N 3.37Å; K42-F45 WeakPolarHBondContact O-CA 3.34Å; K42-F45 WeakPolarHBondContact O-CB 3.43Å; K42-F45 PolarHBondContact O-N 2.75Å; K42-K46 HydrophobicContact CB-CB 4.32Å; K42-K46 HydrophobicContact CB-CD 4.16Å; K42-K46 HydrophobicContact CB-CG 4Å; K42-K46 PolarHBondContact O-N 3.15Å
43	Y	96.3	Very high	97.7	Very high	76 Å²	76	55.6 Å²	55.6	30%	0.298	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	139.4	172.2	178.2	-89.9	0	0	0	110.7	L39 P40 W77 L83	L39-Y43 HydrophobicContact CB-CD2 4.42Å; L39-Y43 HydrophobicContact CB-CG 4.35Å; L39-Y43 HydrophobicContact CD1-CD1 4.48Å; L39-Y43 HydrophobicContact CD2-CD2 4.03Å; L39-Y43 HydrophobicContact CD2-CE2 4.02Å; P40-Y43 WeakPolarHBondContact O-CB 3.36Å; P40-Y43 PolarHBondContact O-N 2.84Å; Y43-W77 HydrophobicContact CD2-CZ2 4.06Å; Y43-W77 AromaticContact CE2-CH2 3.55Å; Y43-W77 HydrophobicContact CE2-CH2 3.55Å; Y43-W77 AromaticContact CE2-CZ2 3.38Å; Y43-W77 HydrophobicContact CE2-CZ2 3.38Å; Y43-L83 HydrophobicContact CE2-CD2 3.91Å; Y43-L83 WeakPolarHBondContact OH-CG 3.26Å
44	P	96.8	Very high	97.7	Very high	37 Å²	37	55.6 Å²	55.6	24%	0.24	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.5	6.7	2.5	37.3	-36.5	0	0	0	114.5	K46 W77 A79	P44-K46 VanDerWaalsContact C-N 3.29Å; P44-K46 CarbonylContact C-O 2.9Å; P44-K46 PolarHBondContact O-N 2.77Å; P44-W77 HydrophobicContact CB-CZ2 4.15Å; P44-W77 PolarHBondContact O-NE1 3.48Å; P44-A79 HydrophobicContact CB-CB 4.45Å; P44-A79 HydrophobicContact CG-CB 4.18Å
45	F	96.6	Very high	97.7	Very high	181 Å²	181	57.1 Å²	57.1	79%	0.794	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	178.4	-57.7	-75	0	0	0	112.8	K42 A79	K42-F45 WeakPolarHBondContact O-CA 3.34Å; K42-F45 WeakPolarHBondContact O-CB 3.43Å; K42-F45 PolarHBondContact O-N 2.75Å; F45-A79 HydrophobicContact CD1-CB 4.3Å
46	K	97.3	Very high	97.7	Very high	120 Å²	120	57.3 Å²	57.3	52%	0.522	28%	0.28	S	S	.	.	S	Bend	trans	-102.1	140	162	-73.3	-167.2	172	-168.6	0	109.7	P40 K42 P44	P40-K46 HydrophobicContact CB-CB 4.35Å; P40-K46 HydrophobicContact CG-CB 3.61Å; K42-K46 HydrophobicContact CB-CB 4.32Å; K42-K46 HydrophobicContact CB-CD 4.16Å; K42-K46 HydrophobicContact CB-CG 4Å; K42-K46 PolarHBondContact O-N 3.15Å; P44-K46 VanDerWaalsContact C-N 3.29Å; P44-K46 CarbonylContact C-O 2.9Å; P44-K46 PolarHBondContact O-N 2.77Å
47	S	97.6	Very high	97.7	Very high	13 Å²	13	53.1 Å²	53.1	9%	0.091	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-65.4	153.6	175.6	53.4	0	0	0	0	112	P40 N74 W77	P40-S47 WeakPolarHBondContact CD-O 3.48Å; P40-S47 WeakPolarHBondContact CG-O 3.16Å; S47-N74 WeakPolarHBondContact CB-OD1 3.31Å; S47-N74 PolarHBondContact OG-OD1 2.82Å; S47-W77 VanDerWaalsContact CB-CG 3.5Å
48	P	98.1	Very high	97.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.4	152	168.1	29.4	-33.7	0	0	0	111.1	V37 D38 L39 W77 L83 I86	V37-P48 HydrophobicContact CG1-CB 3.84Å; D38-P48 VanDerWaalsContact O-CA 3.31Å; D38-P48 WeakPolarHBondContact O-CA 3.32Å; L39-P48 HydrophobicContact CD2-CB 3.8Å; P48-W77 HydrophobicContact CG-CE3 4.2Å; P48-W77 HydrophobicContact CG-CH2 4.24Å; P48-W77 HydrophobicContact CG-CZ3 3.95Å; P48-L83 HydrophobicContact CG-CD2 4.48Å; P48-I86 HydrophobicContact CG-CD1 3.69Å
49	S	98.1	Very high	97.8	Very high	54 Å²	54	51.2 Å²	51.2	38%	0.378	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	141.4	162.5	51.1	0	0	0	0	110	V37 D38	V37-S49 WeakPolarHBondContact CA-O 3.41Å; D38-S49 WeakPolarHBondContact CB-OG 3.12Å; D38-S49 PolarHBondContact N-O 2.85Å; D38-S49 PolarHBondContact O-N 2.9Å
50	I	98.6	Very high	97.8	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130	-176.4	-56.5	168.3	0	0	0	108.2	V35 R36 V68 I73 I86 F90 L91	V35-I50 HydrophobicContact CG1-CG2 3.49Å; V35-I50 VanDerWaalsContact CG1-CG2 3.49Å; R36-I50 WeakPolarHBondContact O-CA 3.35Å; I50-V68 HydrophobicContact CB-CB 4.22Å; I50-V68 HydrophobicContact CB-CG2 4.02Å; I50-V68 HydrophobicContact CG2-CG2 3.83Å; I50-V68 PolarHBondContact O-N 3.11Å; I50-I73 HydrophobicContact CB-CD1 4.18Å; I50-I73 HydrophobicContact CD1-CD1 3.99Å; I50-I73 HydrophobicContact CD1-CG1 4.24Å; I50-I73 HydrophobicContact CG1-CD1 4.08Å; I50-I86 HydrophobicContact CD1-CD1 4.47Å; I50-I86 HydrophobicContact CD1-CG2 3.57Å; I50-I86 HydrophobicContact CG1-CG2 4.44Å; I50-F90 HydrophobicContact CD1-CD1 4.14Å; I50-F90 HydrophobicContact CD1-CE1 3.86Å; I50-L91 HydrophobicContact CG2-CD2 4.4Å
51	G	98.4	Very high	97.9	Very high	14 Å²	14	47.9 Å²	47.9	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.1	179.6	0	0	0	0	0	112.7	V35 R36 G66	V35-G51 CarbonylContact C-O 3.58Å; V35-G51 WeakPolarHBondContact CA-O 3.43Å; R36-G51 PolarHBondContact N-O 3.06Å; R36-G51 PolarHBondContact O-N 3.25Å; G51-G66 CarbonylContact C-O 3.56Å; G51-G66 WeakPolarHBondContact CA-O 3.47Å
52	F	98.6	Very high	97.9	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116	171.4	-76.3	-103.4	0	0	0	109.6	F20 W33 V35 I56 I61 G66 V68 L91 L95	F20-F52 HydrophobicContact CD1-CE1 4.14Å; F20-F52 HydrophobicContact CD1-CZ 4.43Å; F20-F52 HydrophobicContact CE1-CE1 4.49Å; W33-F52 HydrophobicContact CB-CD1 3.63Å; W33-F52 HydrophobicContact CB-CE1 3.86Å; W33-F52 AromaticContact CD1-CD1 3.63Å; W33-F52 HydrophobicContact CD2-CD1 4.29Å; W33-F52 HydrophobicContact CD2-CE1 4.17Å; W33-F52 AromaticContact CG-CD1 3.57Å; W33-F52 HydrophobicContact CG-CD1 3.57Å; W33-F52 AromaticContact CG-CE1 3.83Å; W33-F52 HydrophobicContact CG-CE1 3.83Å; V35-F52 HydrophobicContact CG2-CD1 3.97Å; V35-F52 HydrophobicContact CG2-CE1 3.79Å; V35-F52 HydrophobicContact CG2-CG 4.41Å; V35-F52 HydrophobicContact CG2-CZ 4.08Å; F52-I56 HydrophobicContact CB-CG2 3.76Å; F52-I56 HydrophobicContact CD1-CB 4.22Å; F52-I56 HydrophobicContact CD1-CD1 3.88Å; F52-I56 HydrophobicContact CD1-CG2 3.97Å; F52-I56 HydrophobicContact CD2-CG2 4.13Å; F52-I56 HydrophobicContact CE1-CD1 3.57Å; F52-I56 HydrophobicContact CG-CB 4.42Å; F52-I56 HydrophobicContact CG-CD1 4.5Å; F52-I56 HydrophobicContact CG-CG2 3.69Å; F52-I56 HydrophobicContact CZ-CD1 3.95Å; F52-I61 HydrophobicContact CD2-CD1 3.77Å; F52-I61 HydrophobicContact CD2-CG2 4.3Å; F52-I61 HydrophobicContact CE2-CD1 3.51Å; F52-I61 HydrophobicContact CZ-CD1 4.15Å; F52-G66 PolarHBondContact N-O 2.85Å; F52-G66 WeakPolarHBondContact O-CA 3.42Å; F52-V68 HydrophobicContact CD2-CG2 3.99Å; F52-V68 HydrophobicContact CE2-CG2 3.84Å; F52-L91 HydrophobicContact CE2-CD2 4.08Å; F52-L91 HydrophobicContact CZ-CD2 4.19Å; F52-L95 HydrophobicContact CZ-CD1 4.43Å
53	M	97.8	Very high	97.9	Very high	107 Å²	107	38.2 Å²	38.2	53%	0.527	19%	0.188	S	C	.	.	S	Bend	trans	-74.1	-34.7	-176.3	-61.5	-169.6	72.5	0	0	112.6	V17 K34 R36	V17-M53 HydrophobicContact CB-SD 4.44Å; V17-M53 HydrophobicContact CG1-SD 3.97Å; V17-M53 HydrophobicContact CG2-SD 3.53Å; V17-M53 VanDerWaalsContact CG2-SD 3.53Å; K34-M53 HydrophobicContact CB-CB 4.01Å; K34-M53 HydrophobicContact CB-CG 4.3Å; K34-M53 HydrophobicContact CB-SD 4.25Å; K34-M53 WeakPolarHBondContact O-CB 3.36Å; K34-M53 PolarHBondContact O-N 2.75Å; R36-M53 HydrophobicContact CB-CG 3.95Å; R36-M53 HydrophobicContact CB-SD 4.19Å
54	N	97.8	Very high	97.9	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	21%	0.208	C	C	.	.	S	Bend	trans	-101.3	153.1	169.7	62.5	-56.3	0	0	0	110.4	V32 W33 K34 Y130 L136	V32-N54 PolarHBondContact O-ND2 3.34Å; V32-N54 VanDerWaalsContact O-ND2 3.11Å; W33-N54 WeakPolarHBondContact CA-OD1 3.4Å; W33-N54 WeakPolarHBondContact CB-OD1 3.34Å; W33-N54 VanDerWaalsContact CD1-CG 3.49Å; K34-N54 PolarHBondContact N-OD1 3.22Å; N54-Y130 PolarHBondContact ND2-O 2.77Å; N54-L136 HydrophobicContact CB-CD2 4.02Å
55	K	98.1	Very high	97.9	Very high	79 Å²	79	40.2 Å²	40.2	34%	0.343	22%	0.219	S	C	.	.			trans	-60.8	139.9	-167.8	-71	-176.1	171.9	-69.2	0	112.9	W33 E63 Y126 Y130	W33-K55 PolarHBondContact NE1-O 3.14Å; W33-K55 VanDerWaalsContact NE1-O 3.08Å; K55-E63 PolarHBondContact NZ-O 2.88Å; K55-Y126 HydrophobicContact CB-CD1 4.49Å; K55-Y130 HydrophobicContact CB-CD1 4.4Å; K55-Y130 HydrophobicContact CB-CD2 3.75Å; K55-Y130 HydrophobicContact CB-CE2 4.31Å; K55-Y130 HydrophobicContact CB-CG 3.8Å; K55-Y130 HydrophobicContact CD-CD1 4.15Å; K55-Y130 HydrophobicContact CD-CD2 4.19Å; K55-Y130 HydrophobicContact CD-CE1 3.92Å; K55-Y130 HydrophobicContact CD-CE2 3.97Å; K55-Y130 HydrophobicContact CD-CG 4.28Å; K55-Y130 HydrophobicContact CG-CG 4.43Å
56	I	98.6	Very high	98	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	18%	0.184	C	C	.	.			trans	-137.4	143.7	172.2	-171.5	166.8	0	0	0	109.1	Y28 W33 F52 H58 I61 L95	Y28-I56 HydrophobicContact CD1-CD1 4.12Å; Y28-I56 HydrophobicContact CD1-CG1 4.32Å; Y28-I56 HydrophobicContact CE1-CD1 3.96Å; Y28-I56 HydrophobicContact CE1-CG1 3.89Å; W33-I56 HydrophobicContact CD2-CD1 4.42Å; W33-I56 HydrophobicContact CZ2-CD1 4.09Å; W33-I56 HydrophobicContact CZ2-CG1 4.13Å; F52-I56 HydrophobicContact CB-CG2 3.76Å; F52-I56 HydrophobicContact CD1-CB 4.22Å; F52-I56 HydrophobicContact CD1-CD1 3.88Å; F52-I56 HydrophobicContact CD1-CG2 3.97Å; F52-I56 HydrophobicContact CD2-CG2 4.13Å; F52-I56 HydrophobicContact CE1-CD1 3.57Å; F52-I56 HydrophobicContact CG-CB 4.42Å; F52-I56 HydrophobicContact CG-CD1 4.5Å; F52-I56 HydrophobicContact CG-CG2 3.69Å; F52-I56 HydrophobicContact CZ-CD1 3.95Å; I56-H58 HydrophobicContact CG1-CB 4.46Å; I56-I61 HydrophobicContact CD1-CD1 4.07Å; I56-I61 HydrophobicContact CG2-CB 4.25Å; I56-I61 HydrophobicContact CG2-CD1 3.85Å; I56-I61 HydrophobicContact CG2-CG2 3.71Å; I56-L95 HydrophobicContact CD1-CD2 4.36Å
57	F	98.6	Very high	98	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	18%	0.179	C	C	.	.			trans	-107.6	99	178.1	-171.7	-107.6	0	0	0	109.6	Y28 E63 D107 A108 M111 Y119 K122 I123 Y126	Y28-F57 PolarHBondContact OH-O 3.4Å; F57-E63 WeakPolarHBondContact CD2-OE2 3.44Å; F57-D107 HydrophobicContact CE2-CB 4.43Å; F57-D107 HydrophobicContact CZ-CB 4.31Å; F57-A108 HydrophobicContact CD1-CB 4.04Å; F57-A108 HydrophobicContact CD2-CB 4.31Å; F57-A108 HydrophobicContact CE1-CB 3.64Å; F57-A108 HydrophobicContact CE2-CB 3.92Å; F57-A108 HydrophobicContact CG-CB 4.37Å; F57-A108 HydrophobicContact CZ-CB 3.57Å; F57-M111 HydrophobicContact CE1-SD 3.91Å; F57-M111 HydrophobicContact CZ-SD 3.94Å; F57-Y119 HydrophobicContact CD1-CD2 4.23Å; F57-Y119 HydrophobicContact CD1-CE2 4.17Å; F57-Y119 AromaticContact CE1-CD2 3.97Å; F57-Y119 HydrophobicContact CE1-CD2 3.97Å; F57-Y119 HydrophobicContact CE1-CE2 4.22Å; F57-K122 HydrophobicContact CD1-CB 4.48Å; F57-K122 HydrophobicContact CD1-CD 4.28Å; F57-K122 HydrophobicContact CD1-CG 4.1Å; F57-K122 HydrophobicContact CE1-CB 4.43Å; F57-K122 HydrophobicContact CE1-CD 3.81Å; F57-K122 HydrophobicContact CE1-CG 4.1Å; F57-K122 HydrophobicContact CE2-CD 4.19Å; F57-K122 HydrophobicContact CG-CG 4.44Å; F57-K122 HydrophobicContact CZ-CD 3.77Å; F57-K122 HydrophobicContact CZ-CG 4.48Å; F57-I123 HydrophobicContact CB-CG1 4.45Å; F57-I123 HydrophobicContact CD1-CG1 4.2Å; F57-Y126 HydrophobicContact CB-CD1 3.73Å; F57-Y126 HydrophobicContact CB-CD2 4.43Å; F57-Y126 HydrophobicContact CB-CE1 3.94Å; F57-Y126 HydrophobicContact CB-CG 3.99Å; F57-Y126 HydrophobicContact CD2-CE1 4.27Å
58	H	98.6	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.			trans	-148.2	140	-173.9	-176.9	-79.4	0	0	0	111.6	Y28 I56 N60 I61 L94 N105	Y28-H58 AromaticContact CZ-CD2 3.78Å; Y28-H58 WeakPolarHBondContact OH-CB 3.5Å; Y28-H58 PolarHBondContact OH-CD2 2.87Å; I56-H58 HydrophobicContact CG1-CB 4.46Å; H58-N60 VanDerWaalsContact C-N 3.34Å; H58-N60 PolarHBondContact CE1-OD1 3.41Å; H58-N60 PolarHBondContact ND1-N 3.26Å; H58-N60 PolarHBondContact O-N 2.86Å; H58-I61 HydrophobicContact CB-CB 4.06Å; H58-I61 HydrophobicContact CB-CD1 3.72Å; H58-I61 HydrophobicContact CB-CG1 3.86Å; H58-I61 PolarHBondContact O-N 3.49Å; H58-I61 VanDerWaalsContact O-N 3.14Å; H58-I61 VanDerWaalsContact O-O 3.08Å; H58-L94 PolarHBondContact NE2-O 3.12Å; H58-N105 WeakPolarHBondContact O-CB 3.44Å
59	P	98.4	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.6	-177.3	-30.7	37.3	0	0	0	115.4	P98 P103 L104 N105 A108 A109 Y119	P59-P98 HydrophobicContact CB-CB 4.07Å; P59-P98 HydrophobicContact CG-CB 3.64Å; P59-P98 HydrophobicContact CG-CG 4.19Å; P59-P103 HydrophobicContact CB-CB 4.34Å; P59-P103 CarbonylContact O-C 3.56Å; P59-P103 WeakPolarHBondContact O-CA 3.2Å; P59-P103 WeakPolarHBondContact O-CB 3.26Å; P59-L104 PolarHBondContact O-N 3.46Å; P59-N105 PolarHBondContact O-N 2.87Å; P59-A108 HydrophobicContact CG-CB 4.14Å; P59-A109 HydrophobicContact CB-CB 4.11Å; P59-A109 HydrophobicContact CG-CB 4.48Å; P59-Y119 VanDerWaalsContact CD-OH 3.28Å; P59-Y119 WeakPolarHBondContact CD-OH 3.12Å
60	N	98.5	Very high	97.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	16.2	-177.8	-49.5	108.2	0	0	0	114.6	H58 C69 V72 L94 N99	H58-N60 VanDerWaalsContact C-N 3.34Å; H58-N60 PolarHBondContact CE1-OD1 3.41Å; H58-N60 PolarHBondContact ND1-N 3.26Å; H58-N60 PolarHBondContact O-N 2.86Å; N60-C69 HydrophobicContact CB-CB 4.32Å; N60-C69 PolarHBondContact O-N 3.08Å; N60-V72 HydrophobicContact CB-CG2 4.27Å; N60-L94 HydrophobicContact CB-CD1 4.23Å; N60-N99 PolarHBondContact ND2-O 3.38Å; N60-N99 PolarHBondContact OD1-N 3.03Å; N60-N99 PolarHBondContact OD1-O 2.99Å
61	I	98.6	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-126.1	126.9	178.1	-52.7	178.5	0	0	0	108	F52 I56 H58 E63 G66 T67 V68	F52-I61 HydrophobicContact CD2-CD1 3.77Å; F52-I61 HydrophobicContact CD2-CG2 4.3Å; F52-I61 HydrophobicContact CE2-CD1 3.51Å; F52-I61 HydrophobicContact CZ-CD1 4.15Å; I56-I61 HydrophobicContact CD1-CD1 4.07Å; I56-I61 HydrophobicContact CG2-CB 4.25Å; I56-I61 HydrophobicContact CG2-CD1 3.85Å; I56-I61 HydrophobicContact CG2-CG2 3.71Å; H58-I61 HydrophobicContact CB-CB 4.06Å; H58-I61 HydrophobicContact CB-CD1 3.72Å; H58-I61 HydrophobicContact CB-CG1 3.86Å; H58-I61 PolarHBondContact O-N 3.49Å; H58-I61 VanDerWaalsContact O-N 3.14Å; H58-I61 VanDerWaalsContact O-O 3.08Å; I61-E63 PolarHBondContact O-N 3.32Å; I61-G66 VanDerWaalsContact CG2-O 3.26Å; I61-G66 WeakPolarHBondContact CG2-O 3.45Å; I61-T67 WeakPolarHBondContact CA-O 3.36Å; I61-V68 HydrophobicContact CD1-CG2 4.33Å; I61-V68 HydrophobicContact CG1-CG2 4.17Å
62	D	98.2	Very high	97.5	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.283	21%	0.21	S	C	.	.			trans	-66.7	125.5	174.6	174.7	59.6	0	0	0	110.2	A64 S65 G66 T67 L104	D62-A64 VanDerWaalsContact C-N 3.32Å; D62-A64 PolarHBondContact O-N 3.1Å; D62-A64 PolarHBondContact OD2-N 3.35Å; D62-S65 VanDerWaalsContact OD2-CB 3.22Å; D62-S65 WeakPolarHBondContact OD2-CB 3.45Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.81Å; D62-G66 WeakPolarHBondContact O-CA 3.22Å; D62-G66 PolarHBondContact O-N 2.9Å; D62-T67 PolarHBondContact N-O 3.45Å; D62-L104 HydrophobicContact CB-CB 4.38Å; D62-L104 HydrophobicContact CB-CD1 4.23Å
63	E	97.1	Very high	97.4	Very high	53 Å²	53	36.6 Å²	36.6	25%	0.248	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.9	-171.9	-164.5	-177.6	134	0	0	113.3	K55 F57 I61 N105 Y126	K55-E63 PolarHBondContact NZ-O 2.88Å; F57-E63 WeakPolarHBondContact CD2-OE2 3.44Å; I61-E63 PolarHBondContact O-N 3.32Å; E63-N105 PolarHBondContact OE2-ND2 2.9Å; E63-Y126 HydrophobicContact CG-CE1 4.47Å; E63-Y126 PolarHBondContact OE1-OH 2.97Å
64	A	95.6	Very high	97.2	Very high	88 Å²	88	35.1 Å²	35.1	73%	0.727	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-48.4	-178.5	0	0	0	0	0	111.5	D62	D62-A64 VanDerWaalsContact C-N 3.32Å; D62-A64 PolarHBondContact O-N 3.1Å; D62-A64 PolarHBondContact OD2-N 3.35Å
65	S	97.3	Very high	97.1	Very high	67 Å²	67	41.4 Å²	41.4	47%	0.469	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-19.2	-177	66.8	0	0	0	0	114.5	D62 T67	D62-S65 VanDerWaalsContact OD2-CB 3.22Å; D62-S65 WeakPolarHBondContact OD2-CB 3.45Å; D62-S65 PolarHBondContact OD2-N 2.98Å; D62-S65 PolarHBondContact OD2-OG 2.81Å; S65-T67 PolarHBondContact O-N 3.02Å; S65-T67 WeakPolarHBondContact OG-CB 3.35Å; S65-T67 PolarHBondContact OG-N 2.8Å; S65-T67 PolarHBondContact OG-OG1 2.83Å
66	G	98	Very high	96.9	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	24%	0.235	C	C	.	.			trans	75.9	6.2	-171.4	0	0	0	0	0	114.3	G51 F52 I61 D62 V68	G51-G66 CarbonylContact C-O 3.56Å; G51-G66 WeakPolarHBondContact CA-O 3.47Å; F52-G66 PolarHBondContact N-O 2.85Å; F52-G66 WeakPolarHBondContact O-CA 3.42Å; I61-G66 VanDerWaalsContact CG2-O 3.26Å; I61-G66 WeakPolarHBondContact CG2-O 3.45Å; D62-G66 WeakPolarHBondContact O-CA 3.22Å; D62-G66 PolarHBondContact O-N 2.9Å; G66-V68 PolarHBondContact O-N 2.85Å
67	T	98.3	Very high	96.8	Very high	66 Å²	66	41.6 Å²	41.6	41%	0.405	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-69.6	127.4	-174.9	-55.6	0	0	0	0	111.4	I61 D62 S65	I61-T67 WeakPolarHBondContact CA-O 3.36Å; D62-T67 PolarHBondContact N-O 3.45Å; S65-T67 PolarHBondContact O-N 3.02Å; S65-T67 WeakPolarHBondContact OG-CB 3.35Å; S65-T67 PolarHBondContact OG-N 2.8Å; S65-T67 PolarHBondContact OG-OG1 2.83Å
68	V	98.3	Very high	96.7	Very high	2 Å²	2	45 Å²	45	1%	0.012	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-76.5	137.1	172	-177.8	0	0	0	0	109.5	I50 F52 I61 G66 L70 I73 F90 L94	I50-V68 HydrophobicContact CB-CB 4.22Å; I50-V68 HydrophobicContact CB-CG2 4.02Å; I50-V68 HydrophobicContact CG2-CG2 3.83Å; I50-V68 PolarHBondContact O-N 3.11Å; F52-V68 HydrophobicContact CD2-CG2 3.99Å; F52-V68 HydrophobicContact CE2-CG2 3.84Å; I61-V68 HydrophobicContact CD1-CG2 4.33Å; I61-V68 HydrophobicContact CG1-CG2 4.17Å; G66-V68 PolarHBondContact O-N 2.85Å; V68-L70 PolarHBondContact O-N 3.45Å; V68-L70 VanDerWaalsContact O-N 3.17Å; V68-I73 HydrophobicContact CB-CD1 4.18Å; V68-I73 HydrophobicContact CG1-CD1 4.15Å; V68-I73 HydrophobicContact CG1-CG1 4Å; V68-F90 HydrophobicContact CG1-CE1 4.38Å; V68-F90 HydrophobicContact CG1-CZ 4.37Å; V68-L94 HydrophobicContact CG1-CD2 3.8Å
69	C	97.1	Very high	96.5	Very high	17 Å²	17	47.2 Å²	47.2	12%	0.115	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-55.5	120.3	179.7	-176.8	0	0	0	0	112.3	N60 D71 V72 I73 L104	N60-C69 HydrophobicContact CB-CB 4.32Å; N60-C69 PolarHBondContact O-N 3.08Å; C69-D71 VanDerWaalsContact C-N 3.27Å; C69-D71 PolarHBondContact O-N 3.07Å; C69-V72 HydrophobicContact CB-CB 4.27Å; C69-V72 HydrophobicContact CB-CG2 3.95Å; C69-V72 PolarHBondContact O-N 2.81Å; C69-V72 VanDerWaalsContact O-N 3.13Å; C69-I73 PolarHBondContact O-N 2.78Å; C69-I73 VanDerWaalsContact O-N 3.15Å; C69-L104 HydrophobicContact CB-CD1 3.7Å; C69-L104 HydrophobicContact CB-CG 4.01Å
70	L	95	Very high	96.4	Very high	91 Å²	91	55.3 Å²	55.3	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-34.8	-176.9	-175.3	62	0	0	0	112.4	V68 V72 I73 N74	V68-L70 PolarHBondContact O-N 3.45Å; V68-L70 VanDerWaalsContact O-N 3.17Å; L70-V72 VanDerWaalsContact C-N 3.31Å; L70-V72 PolarHBondContact O-N 3.41Å; L70-I73 PolarHBondContact O-N 2.56Å; L70-N74 WeakPolarHBondContact O-CB 3.34Å; L70-N74 VanDerWaalsContact O-CG 3.22Å; L70-N74 PolarHBondContact O-N 3.19Å; L70-N74 PolarHBondContact O-ND2 3.02Å
71	D	94.9	Very high	96.2	Very high	113 Å²	113	57 Å²	57	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-36.2	178.2	-68.4	-21.7	0	0	0	111.7	C69 N74 Q75	C69-D71 VanDerWaalsContact C-N 3.27Å; C69-D71 PolarHBondContact O-N 3.07Å; D71-N74 PolarHBondContact O-N 3.32Å; D71-Q75 VanDerWaalsContact O-CG 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.41Å; D71-Q75 PolarHBondContact O-N 2.86Å; D71-Q75 VanDerWaalsContact O-N 3.11Å
72	V	94.4	Very high	96	Very high	12 Å²	12	61 Å²	61	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-39.7	175.2	177.4	0	0	0	0	111.1	N60 C69 L70 N74 Q75 F90 L94	N60-V72 HydrophobicContact CB-CG2 4.27Å; C69-V72 HydrophobicContact CB-CB 4.27Å; C69-V72 HydrophobicContact CB-CG2 3.95Å; C69-V72 PolarHBondContact O-N 2.81Å; C69-V72 VanDerWaalsContact O-N 3.13Å; L70-V72 VanDerWaalsContact C-N 3.31Å; L70-V72 PolarHBondContact O-N 3.41Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3.1Å; V72-Q75 PolarHBondContact O-N 3.29Å; V72-F90 HydrophobicContact CG1-CE2 4.18Å; V72-F90 HydrophobicContact CG1-CZ 4.25Å; V72-L94 HydrophobicContact CG1-CD1 3.73Å; V72-L94 HydrophobicContact CG1-CD2 4.45Å
73	I	95.7	Very high	95.7	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-47.4	173.1	-61.6	170.8	0	0	0	109.8	I50 V68 C69 L70 Q75 T76 W77 F90	I50-I73 HydrophobicContact CB-CD1 4.18Å; I50-I73 HydrophobicContact CD1-CD1 3.99Å; I50-I73 HydrophobicContact CD1-CG1 4.24Å; I50-I73 HydrophobicContact CG1-CD1 4.08Å; V68-I73 HydrophobicContact CB-CD1 4.18Å; V68-I73 HydrophobicContact CG1-CD1 4.15Å; V68-I73 HydrophobicContact CG1-CG1 4Å; C69-I73 PolarHBondContact O-N 2.78Å; C69-I73 VanDerWaalsContact O-N 3.15Å; L70-I73 PolarHBondContact O-N 2.56Å; I73-Q75 VanDerWaalsContact C-N 3.27Å; I73-Q75 PolarHBondContact O-N 2.79Å; I73-T76 PolarHBondContact O-N 3.44Å; I73-T76 VanDerWaalsContact O-N 3.08Å; I73-W77 HydrophobicContact CG2-CB 4.41Å; I73-W77 WeakPolarHBondContact O-CB 3.47Å; I73-W77 PolarHBondContact O-N 2.93Å; I73-F90 HydrophobicContact CB-CZ 4.31Å; I73-F90 HydrophobicContact CG1-CE1 4.04Å; I73-F90 HydrophobicContact CG1-CZ 3.73Å
74	N	95.1	Very high	95.6	Very high	75 Å²	75	60.5 Å²	60.5	40%	0.401	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-21.4	-176.6	-72.7	-24.6	0	0	0	114.3	S47 L70 D71 V72 T76	S47-N74 WeakPolarHBondContact CB-OD1 3.31Å; S47-N74 PolarHBondContact OG-OD1 2.82Å; L70-N74 WeakPolarHBondContact O-CB 3.34Å; L70-N74 VanDerWaalsContact O-CG 3.22Å; L70-N74 PolarHBondContact O-N 3.19Å; L70-N74 PolarHBondContact O-ND2 3.02Å; D71-N74 PolarHBondContact O-N 3.32Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3.1Å; N74-T76 VanDerWaalsContact C-N 3.26Å; N74-T76 PolarHBondContact O-N 3.5Å
75	Q	94.1	Very high	95.6	Very high	136 Å²	136	59.1 Å²	59.1	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-27.7	172.5	-74.2	166.2	22.9	0	0	112.6	D71 V72 I73	D71-Q75 VanDerWaalsContact O-CG 3.32Å; D71-Q75 WeakPolarHBondContact O-CG 3.41Å; D71-Q75 PolarHBondContact O-N 2.86Å; D71-Q75 VanDerWaalsContact O-N 3.11Å; V72-Q75 PolarHBondContact O-N 3.29Å; I73-Q75 VanDerWaalsContact C-N 3.27Å; I73-Q75 PolarHBondContact O-N 2.79Å
76	T	94.1	Very high	95.6	Very high	58 Å²	58	56.1 Å²	56.1	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-104	-32.8	-178.1	-55.8	0	0	0	0	112.1	I73 N74 Y81 F90	I73-T76 PolarHBondContact O-N 3.44Å; I73-T76 VanDerWaalsContact O-N 3.08Å; N74-T76 VanDerWaalsContact C-N 3.26Å; N74-T76 PolarHBondContact O-N 3.5Å; T76-Y81 HydrophobicContact CG2-CD2 4.42Å; T76-Y81 HydrophobicContact CG2-CE2 3.63Å; T76-F90 HydrophobicContact CG2-CD2 4.07Å
77	W	96.9	Very high	95.5	Very high	27 Å²	27	56.4 Å²	56.4	10%	0.102	31%	0.308	C	S	.	.			trans	-68.1	136.4	-173.5	-172.9	-98.2	0	0	0	112.9	Y43 P44 S47 P48 I73 Y81 L83 I86	Y43-W77 HydrophobicContact CD2-CZ2 4.06Å; Y43-W77 AromaticContact CE2-CH2 3.55Å; Y43-W77 HydrophobicContact CE2-CH2 3.55Å; Y43-W77 AromaticContact CE2-CZ2 3.38Å; Y43-W77 HydrophobicContact CE2-CZ2 3.38Å; P44-W77 HydrophobicContact CB-CZ2 4.15Å; P44-W77 PolarHBondContact O-NE1 3.48Å; S47-W77 VanDerWaalsContact CB-CG 3.5Å; P48-W77 HydrophobicContact CG-CE3 4.2Å; P48-W77 HydrophobicContact CG-CH2 4.24Å; P48-W77 HydrophobicContact CG-CZ3 3.95Å; I73-W77 HydrophobicContact CG2-CB 4.41Å; I73-W77 WeakPolarHBondContact O-CB 3.47Å; I73-W77 PolarHBondContact O-N 2.93Å; W77-Y81 AromaticContact CE3-CD1 3.76Å; W77-Y81 HydrophobicContact CE3-CD1 3.76Å; W77-Y81 HydrophobicContact CE3-CG 4.12Å; W77-Y81 WeakPolarHBondContact CH2-O 3.41Å; W77-Y81 AromaticContact CZ3-CD1 3.66Å; W77-Y81 HydrophobicContact CZ3-CD1 3.66Å; W77-Y81 HydrophobicContact CZ3-CG 4.26Å; W77-L83 HydrophobicContact CH2-CD2 3.98Å; W77-L83 HydrophobicContact CZ3-CD2 4.38Å; W77-I86 HydrophobicContact CZ3-CD1 4.07Å; W77-I86 HydrophobicContact CZ3-CG1 4.34Å
78	T	96.6	Very high	95.4	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.46	31%	0.31	S	S	.	.			trans	-138	162.4	166.5	70.3	0	0	0	0	108.9	L80 Y81	T78-L80 PolarHBondContact O-N 3.18Å; T78-L80 PolarHBondContact OG1-N 3.04Å; T78-Y81 WeakPolarHBondContact O-CB 3.39Å; T78-Y81 PolarHBondContact O-N 2.73Å; T78-Y81 PolarHBondContact OG1-N 3.46Å
79	A	95.6	Very high	95.3	Very high	46 Å²	46	60.3 Å²	60.3	38%	0.38	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.3	178.2	0	0	0	0	0	114.3	P44 F45	P44-A79 HydrophobicContact CB-CB 4.45Å; P44-A79 HydrophobicContact CG-CB 4.18Å; F45-A79 HydrophobicContact CD1-CB 4.3Å
80	L	95.4	Very high	95.3	Very high	170 Å²	170	60.2 Å²	60.2	89%	0.89	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	0.5	176.4	-59.9	177.5	0	0	0	112.7	T78 D82	T78-L80 PolarHBondContact O-N 3.18Å; T78-L80 PolarHBondContact OG1-N 3.04Å; L80-D82 PolarHBondContact O-N 2.93Å
81	Y	94.3	Very high	95.5	Very high	37 Å²	37	55.9 Å²	55.9	15%	0.145	30%	0.302	C	S	.	.			trans	-75.6	124.1	-178.7	-159.9	-87.7	0	0	0	110.1	T76 W77 T78 N85 I86	T76-Y81 HydrophobicContact CG2-CD2 4.42Å; T76-Y81 HydrophobicContact CG2-CE2 3.63Å; W77-Y81 AromaticContact CE3-CD1 3.76Å; W77-Y81 HydrophobicContact CE3-CD1 3.76Å; W77-Y81 HydrophobicContact CE3-CG 4.12Å; W77-Y81 WeakPolarHBondContact CH2-O 3.41Å; W77-Y81 AromaticContact CZ3-CD1 3.66Å; W77-Y81 HydrophobicContact CZ3-CD1 3.66Å; W77-Y81 HydrophobicContact CZ3-CG 4.26Å; T78-Y81 WeakPolarHBondContact O-CB 3.39Å; T78-Y81 PolarHBondContact O-N 2.73Å; T78-Y81 PolarHBondContact OG1-N 3.46Å; Y81-N85 HydrophobicContact CD1-CB 4.2Å; Y81-N85 HydrophobicContact CE1-CB 3.47Å; Y81-N85 VanDerWaalsContact CE1-CB 3.47Å; Y81-N85 HydrophobicContact CE2-CB 4.45Å; Y81-N85 PolarHBondContact OH-O 2.61Å; Y81-I86 HydrophobicContact CE1-CG1 4.33Å
82	D	93.8	Very high	95.6	Very high	84 Å²	84	51.7 Å²	51.7	45%	0.449	28%	0.282	S	S	.	.			trans	-72.5	141.4	179.1	-168.8	-3.6	0	0	0	111.1	L80 T84 N85	L80-D82 PolarHBondContact O-N 2.93Å; D82-T84 PolarHBondContact O-N 3.33Å; D82-T84 PolarHBondContact OD1-N 2.91Å; D82-T84 PolarHBondContact OD1-OG1 3.03Å; D82-T84 PolarHBondContact OD2-OG1 2.99Å; D82-N85 WeakPolarHBondContact O-CB 3.32Å; D82-N85 PolarHBondContact O-N 3.42Å
83	L	93.5	Very high	95.7	Very high	38 Å²	38	56.4 Å²	56.4	20%	0.199	30%	0.303	C	S	.	.	S	Bend	trans	-62.2	-33.2	175.1	-69.1	175.9	0	0	0	111.9	F16 L39 Y43 P48 W77 N85 I86	F16-L83 HydrophobicContact CZ-CD1 4.27Å; L39-L83 HydrophobicContact CD1-CD1 4.26Å; L39-L83 HydrophobicContact CD2-CD1 4.38Å; L39-L83 HydrophobicContact CD2-CD2 3.93Å; Y43-L83 HydrophobicContact CE2-CD2 3.91Å; Y43-L83 WeakPolarHBondContact OH-CG 3.26Å; P48-L83 HydrophobicContact CG-CD2 4.48Å; W77-L83 HydrophobicContact CH2-CD2 3.98Å; W77-L83 HydrophobicContact CZ3-CD2 4.38Å; L83-N85 PolarHBondContact O-N 3.16Å; L83-I86 HydrophobicContact CD2-CD1 3.74Å; L83-I86 VanDerWaalsContact O-CB 3.26Å; L83-I86 WeakPolarHBondContact O-CB 3.32Å; L83-I86 WeakPolarHBondContact O-CG1 3.38Å; L83-I86 PolarHBondContact O-N 2.91Å; L83-I86 VanDerWaalsContact O-N 3.1Å
84	T	94.6	Very high	95.8	Very high	57 Å²	57	56.6 Å²	56.6	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-38.3	175.9	61.4	0	0	0	0	111.5	D82 I86 F87 E88	D82-T84 PolarHBondContact O-N 3.33Å; D82-T84 PolarHBondContact OD1-N 2.91Å; D82-T84 PolarHBondContact OD1-OG1 3.03Å; D82-T84 PolarHBondContact OD2-OG1 2.99Å; T84-I86 PolarHBondContact O-N 2.92Å; T84-I86 VanDerWaalsContact O-N 3.16Å; T84-F87 PolarHBondContact O-N 2.92Å; T84-E88 PolarHBondContact O-N 3.16Å
85	N	95.5	Very high	96	Very high	59 Å²	59	53.1 Å²	53.1	32%	0.316	29%	0.285	S	S	.	.	H	α-helix	trans	-66.4	-16.8	178.9	-70.8	-29.8	0	0	0	113.3	Y81 D82 L83 F87 S89 F90	Y81-N85 HydrophobicContact CD1-CB 4.2Å; Y81-N85 HydrophobicContact CE1-CB 3.47Å; Y81-N85 VanDerWaalsContact CE1-CB 3.47Å; Y81-N85 HydrophobicContact CE2-CB 4.45Å; Y81-N85 PolarHBondContact OH-O 2.61Å; D82-N85 WeakPolarHBondContact O-CB 3.32Å; D82-N85 PolarHBondContact O-N 3.42Å; L83-N85 PolarHBondContact O-N 3.16Å; N85-F87 PolarHBondContact O-N 3.24Å; N85-S89 CarbonylContact O-C 3.53Å; N85-S89 WeakPolarHBondContact O-CA 3.4Å; N85-S89 VanDerWaalsContact O-CB 3.32Å; N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 2.89Å; N85-F90 PolarHBondContact O-N 3.17Å
86	I	96.3	Very high	96.1	Very high	4 Å²	4	48 Å²	48	2%	0.021	27%	0.267	C	S	.	.	I	π-helix	trans	-58.1	-44.3	170.5	-64.2	174.4	0	0	0	109.7	P48 I50 W77 Y81 L83 T84 F90 L91	P48-I86 HydrophobicContact CG-CD1 3.69Å; I50-I86 HydrophobicContact CD1-CD1 4.47Å; I50-I86 HydrophobicContact CD1-CG2 3.57Å; I50-I86 HydrophobicContact CG1-CG2 4.44Å; W77-I86 HydrophobicContact CZ3-CD1 4.07Å; W77-I86 HydrophobicContact CZ3-CG1 4.34Å; Y81-I86 HydrophobicContact CE1-CG1 4.33Å; L83-I86 HydrophobicContact CD2-CD1 3.74Å; L83-I86 VanDerWaalsContact O-CB 3.26Å; L83-I86 WeakPolarHBondContact O-CB 3.32Å; L83-I86 WeakPolarHBondContact O-CG1 3.38Å; L83-I86 PolarHBondContact O-N 2.91Å; L83-I86 VanDerWaalsContact O-N 3.1Å; T84-I86 PolarHBondContact O-N 2.92Å; T84-I86 VanDerWaalsContact O-N 3.16Å; I86-F90 HydrophobicContact CG2-CD1 4.36Å; I86-L91 HydrophobicContact CG2-CD1 4.16Å; I86-L91 HydrophobicContact CG2-CG 4.22Å; I86-L91 WeakPolarHBondContact O-CB 3.25Å; I86-L91 WeakPolarHBondContact O-CG 3.41Å; I86-L91 PolarHBondContact O-N 3.42Å
87	F	96.8	Very high	96.2	Very high	12 Å²	12	53 Å²	53	5%	0.053	28%	0.28	C	S	.	.	I	π-helix	trans	-91.4	-32.8	-176.2	-57.2	-76.4	0	0	0	112.9	V18 F20 V35 V37 T84 N85 L91 P92	V18-F87 HydrophobicContact CB-CD1 4.28Å; V18-F87 HydrophobicContact CB-CE1 3.6Å; V18-F87 HydrophobicContact CB-CE2 4.02Å; V18-F87 HydrophobicContact CB-CZ 3.44Å; V18-F87 VanDerWaalsContact CB-CZ 3.44Å; V18-F87 HydrophobicContact CG1-CD1 4.07Å; V18-F87 HydrophobicContact CG1-CD2 4.32Å; V18-F87 HydrophobicContact CG1-CE1 3.91Å; V18-F87 HydrophobicContact CG1-CE2 4.16Å; V18-F87 HydrophobicContact CG1-CG 4.28Å; V18-F87 HydrophobicContact CG1-CZ 3.94Å; V18-F87 HydrophobicContact CG2-CE1 4.08Å; V18-F87 HydrophobicContact CG2-CE2 3.64Å; V18-F87 HydrophobicContact CG2-CZ 3.36Å; F20-F87 HydrophobicContact CD2-CD1 4.14Å; V35-F87 HydrophobicContact CB-CE1 4Å; V35-F87 HydrophobicContact CG1-CE1 3.92Å; V37-F87 HydrophobicContact CG2-CE2 4.4Å; V37-F87 HydrophobicContact CG2-CZ 3.68Å; T84-F87 PolarHBondContact O-N 2.92Å; N85-F87 PolarHBondContact O-N 3.24Å; F87-L91 HydrophobicContact CD1-CD1 3.81Å; F87-L91 HydrophobicContact CE1-CD1 4Å; F87-P92 VanDerWaalsContact O-CD 3.25Å; F87-P92 WeakPolarHBondContact O-CD 3.35Å; F87-P92 WeakPolarHBondContact O-CG 3.38Å
88	E	95.3	Very high	96	Very high	96 Å²	96	52 Å²	52	45%	0.449	28%	0.277	S	S	.	.	I	π-helix	trans	-83.1	-23.3	179.7	-63.7	-163.3	156.4	0	0	113.1	K4 H5 T84	K4-E88 IonicContact NZ-OE1 2.88Å; K4-E88 PolarHBondContact NZ-OE1 3.12Å; H5-E88 IonicContact NE2-OE1 3.7Å; T84-E88 PolarHBondContact O-N 3.16Å
89	S	96	Very high	95.7	Very high	54 Å²	54	50.4 Å²	50.4	38%	0.378	27%	0.266	S	S	.	.	I	π-helix	trans	-131.2	-62.3	-173.4	-173.2	0	0	0	0	113.6	N85 P92 Q93	N85-S89 CarbonylContact O-C 3.53Å; N85-S89 WeakPolarHBondContact O-CA 3.4Å; N85-S89 VanDerWaalsContact O-CB 3.32Å; N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 2.89Å; S89-P92 WeakPolarHBondContact O-CD 3.36Å; S89-Q93 WeakPolarHBondContact O-CB 3.42Å; S89-Q93 VanDerWaalsContact O-CG 3.25Å; S89-Q93 WeakPolarHBondContact O-CG 3.21Å; S89-Q93 PolarHBondContact O-N 3.5Å
90	F	97.6	Very high	95.1	Very high	14 Å²	14	50.6 Å²	50.6	6%	0.061	26%	0.263	C	S	.	.	I	π-helix	trans	-61.3	-56	-170.2	170.2	-103.9	0	0	0	113.1	I50 V68 V72 I73 T76 N85 I86 Q93 L94	I50-F90 HydrophobicContact CD1-CD1 4.14Å; I50-F90 HydrophobicContact CD1-CE1 3.86Å; V68-F90 HydrophobicContact CG1-CE1 4.38Å; V68-F90 HydrophobicContact CG1-CZ 4.37Å; V72-F90 HydrophobicContact CG1-CE2 4.18Å; V72-F90 HydrophobicContact CG1-CZ 4.25Å; I73-F90 HydrophobicContact CB-CZ 4.31Å; I73-F90 HydrophobicContact CG1-CE1 4.04Å; I73-F90 HydrophobicContact CG1-CZ 3.73Å; T76-F90 HydrophobicContact CG2-CD2 4.07Å; N85-F90 PolarHBondContact O-N 3.17Å; I86-F90 HydrophobicContact CG2-CD1 4.36Å; F90-Q93 PolarHBondContact O-N 3.47Å; F90-L94 HydrophobicContact CE1-CD2 4.26Å; F90-L94 HydrophobicContact CZ-CD2 4.05Å; F90-L94 WeakPolarHBondContact O-CB 3.4Å; F90-L94 PolarHBondContact O-N 3.42Å
91	L	98.1	Very high	94.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-45.8	-179.4	-70.5	175.1	0	0	0	112.5	F20 V35 I50 F52 I86 F87 Q93 L94 L95	F20-L91 HydrophobicContact CD2-CD1 4.32Å; F20-L91 HydrophobicContact CE1-CB 4.47Å; F20-L91 HydrophobicContact CE2-CB 3.9Å; F20-L91 HydrophobicContact CE2-CD1 4.39Å; F20-L91 HydrophobicContact CZ-CB 3.81Å; V35-L91 HydrophobicContact CG1-CD1 4.21Å; I50-L91 HydrophobicContact CG2-CD2 4.4Å; F52-L91 HydrophobicContact CE2-CD2 4.08Å; F52-L91 HydrophobicContact CZ-CD2 4.19Å; I86-L91 HydrophobicContact CG2-CD1 4.16Å; I86-L91 HydrophobicContact CG2-CG 4.22Å; I86-L91 WeakPolarHBondContact O-CB 3.25Å; I86-L91 WeakPolarHBondContact O-CG 3.41Å; I86-L91 PolarHBondContact O-N 3.42Å; F87-L91 HydrophobicContact CD1-CD1 3.81Å; F87-L91 HydrophobicContact CE1-CD1 4Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.08Å; L91-L94 PolarHBondContact O-N 3.17Å; L91-L95 WeakPolarHBondContact O-CD1 3.42Å; L91-L95 PolarHBondContact O-N 2.87Å
92	P	97.9	Very high	94.5	Very high	26 Å²	26	53.2 Å²	53.2	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-44.1	173.3	-29.6	36.4	0	0	0	113.9	F20 P23 F87 S89 A96	F20-P92 HydrophobicContact CE2-CG 4.24Å; F20-P92 HydrophobicContact CZ-CG 4.48Å; P23-P92 HydrophobicContact CB-CB 4.17Å; F87-P92 VanDerWaalsContact O-CD 3.25Å; F87-P92 WeakPolarHBondContact O-CD 3.35Å; F87-P92 WeakPolarHBondContact O-CG 3.38Å; S89-P92 WeakPolarHBondContact O-CD 3.36Å; P92-A96 WeakPolarHBondContact O-CB 3.38Å; P92-A96 PolarHBondContact O-N 3.39Å; P92-A96 VanDerWaalsContact O-N 3.1Å
93	Q	97.3	Very high	94.5	Very high	110 Å²	110	51.4 Å²	51.4	51%	0.514	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-41.4	178.6	-72	-61	-61	0	0	112.1	S89 F90 L91 A96 Y97	S89-Q93 WeakPolarHBondContact O-CB 3.42Å; S89-Q93 VanDerWaalsContact O-CG 3.25Å; S89-Q93 WeakPolarHBondContact O-CG 3.21Å; S89-Q93 PolarHBondContact O-N 3.5Å; F90-Q93 PolarHBondContact O-N 3.47Å; L91-Q93 VanDerWaalsContact C-N 3.32Å; L91-Q93 PolarHBondContact O-N 3.08Å; Q93-A96 PolarHBondContact O-N 2.97Å; Q93-Y97 PolarHBondContact O-N 2.99Å
94	L	97.6	Very high	94.7	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-47.4	177.7	-179	59.1	0	0	0	111.4	H58 N60 V68 V72 F90 L91 A96 Y97	H58-L94 PolarHBondContact NE2-O 3.12Å; N60-L94 HydrophobicContact CB-CD1 4.23Å; V68-L94 HydrophobicContact CG1-CD2 3.8Å; V72-L94 HydrophobicContact CG1-CD1 3.73Å; V72-L94 HydrophobicContact CG1-CD2 4.45Å; F90-L94 HydrophobicContact CE1-CD2 4.26Å; F90-L94 HydrophobicContact CZ-CD2 4.05Å; F90-L94 WeakPolarHBondContact O-CB 3.4Å; F90-L94 PolarHBondContact O-N 3.42Å; L91-L94 PolarHBondContact O-N 3.17Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.33Å; L94-Y97 CarbonylContact O-C 3.29Å; L94-Y97 VanDerWaalsContact O-C 3.25Å; L94-Y97 PolarHBondContact O-N 3.38Å
95	L	98	Very high	94.8	Very high	2 Å²	2	51 Å²	51	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-33.3	179.2	-92.2	61.3	0	0	0	112.6	F20 P23 Y28 F52 I56 L91	F20-L95 HydrophobicContact CE1-CD2 3.75Å; F20-L95 HydrophobicContact CZ-CD2 4.22Å; P23-L95 HydrophobicContact CG-CB 3.99Å; P23-L95 HydrophobicContact CG-CD2 4.28Å; Y28-L95 HydrophobicContact CD1-CD2 4.08Å; Y28-L95 HydrophobicContact CD1-CG 4.3Å; Y28-L95 HydrophobicContact CD2-CB 3.7Å; Y28-L95 HydrophobicContact CD2-CD2 4Å; Y28-L95 HydrophobicContact CD2-CG 3.78Å; Y28-L95 HydrophobicContact CE1-CG 4.44Å; Y28-L95 HydrophobicContact CE2-CB 3.97Å; Y28-L95 HydrophobicContact CE2-CG 3.96Å; Y28-L95 VanDerWaalsContact CE2-O 3.24Å; Y28-L95 WeakPolarHBondContact CE2-O 3.28Å; Y28-L95 HydrophobicContact CG-CB 4.3Å; Y28-L95 HydrophobicContact CG-CD2 3.71Å; Y28-L95 HydrophobicContact CG-CG 3.97Å; F52-L95 HydrophobicContact CZ-CD1 4.43Å; I56-L95 HydrophobicContact CD1-CD2 4.36Å; L91-L95 WeakPolarHBondContact O-CD1 3.42Å; L91-L95 PolarHBondContact O-N 2.87Å
96	A	97.2	Very high	94.9	Very high	29 Å²	29	50.3 Å²	50.3	24%	0.24	27%	0.274	C	S	.	.	H	α-helix	trans	-73.2	-39.3	176	0	0	0	0	0	112.3	T26 P92 Q93 L94	T26-A96 HydrophobicContact CG2-CB 3.89Å; P92-A96 WeakPolarHBondContact O-CB 3.38Å; P92-A96 PolarHBondContact O-N 3.39Å; P92-A96 VanDerWaalsContact O-N 3.1Å; Q93-A96 PolarHBondContact O-N 2.97Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.33Å
97	Y	95.4	Very high	95	Very high	161 Å²	161	55 Å²	55	63%	0.631	30%	0.299	S	S	*	.	S	Bend	trans	-133.2	79.2	-172.8	-52.9	-69.4	0	0	0	111	Q93 L94	Q93-Y97 PolarHBondContact O-N 2.99Å; L94-Y97 CarbonylContact O-C 3.29Å; L94-Y97 VanDerWaalsContact O-C 3.25Å; L94-Y97 PolarHBondContact O-N 3.38Å
98	P	93.7	Very high	95	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.052	30%	0.297	C	S	.	.			trans	-59.7	146.6	177.1	-21.2	31.5	0	0	0	111.7	P59 P100 Y112	P59-P98 HydrophobicContact CB-CB 4.07Å; P59-P98 HydrophobicContact CG-CB 3.64Å; P59-P98 HydrophobicContact CG-CG 4.19Å; P98-P100 VanDerWaalsContact O-CD 3.3Å; P98-P100 WeakPolarHBondContact O-CD 3.43Å; P98-Y112 HydrophobicContact CG-CD2 4.25Å; P98-Y112 HydrophobicContact CG-CE2 4.05Å
99	N	89.6	Confident	95.1	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	28%	0.277	C	S	.	.			trans	-86.2	112.5	169	-177.5	-6.4	0	0	0	109.4	N60 I101	N60-N99 PolarHBondContact ND2-O 3.38Å; N60-N99 PolarHBondContact OD1-N 3.03Å; N60-N99 PolarHBondContact OD1-O 2.99Å; N99-I101 VanDerWaalsContact C-N 3.29Å; N99-I101 PolarHBondContact O-N 3.49Å; N99-I101 WeakPolarHBondContact OD1-CB 3.48Å; N99-I101 PolarHBondContact OD1-N 2.92Å
100	P	83.5	Confident	95.2	Very high	49 Å²	49	49.3 Å²	49.3	32%	0.318	27%	0.274	S	S	.	.			trans	-81.1	-4.7	-177.5	33.6	-36	0	0	0	114.1	P98 L113	P98-P100 VanDerWaalsContact O-CD 3.3Å; P98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-L113 HydrophobicContact CB-CD1 4.04Å; P100-L113 HydrophobicContact CB-CD2 3.87Å; P100-L113 HydrophobicContact CB-CG 4.11Å; P100-L113 HydrophobicContact CG-CD2 4.2Å
101	I	86.7	Confident	95.2	Very high	119 Å²	119	49.8 Å²	49.8	61%	0.61	28%	0.277	S	S	*	.	S	Bend	trans	-83.4	128.5	179.3	-55.7	175.8	0	0	0	108.7	N99	N99-I101 VanDerWaalsContact C-N 3.29Å; N99-I101 PolarHBondContact O-N 3.49Å; N99-I101 WeakPolarHBondContact OD1-CB 3.48Å; N99-I101 PolarHBondContact OD1-N 2.92Å
102	D	89.3	Confident	95.1	Very high	144 Å²	144	53.4 Å²	53.4	77%	0.77	29%	0.291	S	S	*	.	S	Bend	trans	46.7	61.5	-179	-60.7	-33.5	0	0	0	113.7
103	P	95.1	Very high	95	Very high	45 Å²	45	56.6 Å²	56.6	29%	0.292	31%	0.306	S	S	.	.			trans	-70.7	147.4	-176	32.1	-36.9	0	0	0	112	P59 A109	P59-P103 HydrophobicContact CB-CB 4.34Å; P59-P103 CarbonylContact O-C 3.56Å; P59-P103 WeakPolarHBondContact O-CA 3.2Å; P59-P103 WeakPolarHBondContact O-CB 3.26Å; P103-A109 HydrophobicContact CB-CB 3.59Å; P103-A109 HydrophobicContact CG-CB 3.55Å
104	L	96.8	Very high	95	Very high	77 Å²	77	58.1 Å²	58.1	40%	0.403	31%	0.313	S	S	.	.	S	Bend	trans	-74.7	-32.6	167.7	-65.8	-175.7	0	0	0	111.3	P59 D62 C69	P59-L104 PolarHBondContact O-N 3.46Å; D62-L104 HydrophobicContact CB-CB 4.38Å; D62-L104 HydrophobicContact CB-CD1 4.23Å; C69-L104 HydrophobicContact CB-CD1 3.7Å; C69-L104 HydrophobicContact CB-CG 4.01Å
105	N	97.6	Very high	95	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.059	33%	0.328	C	S	.	.			trans	-112.6	95.1	174.2	-170.7	-29.6	0	0	0	110.1	H58 P59 E63 D107 A108 A109	H58-N105 WeakPolarHBondContact O-CB 3.44Å; P59-N105 PolarHBondContact O-N 2.87Å; E63-N105 PolarHBondContact OE2-ND2 2.9Å; N105-D107 VanDerWaalsContact C-N 3.31Å; N105-D107 PolarHBondContact O-N 3.26Å; N105-D107 PolarHBondContact OD1-N 3.5Å; N105-A108 HydrophobicContact CB-CB 3.88Å; N105-A108 VanDerWaalsContact CG-CB 3.5Å; N105-A108 PolarHBondContact O-N 3.37Å; N105-A108 PolarHBondContact OD1-N 3.08Å; N105-A109 PolarHBondContact O-N 3.15Å
106	G	97.3	Very high	94.9	Very high	43 Å²	43	65.4 Å²	65.4	44%	0.443	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-35	-179.8	0	0	0	0	0	113.6	A109 A110	G106-A109 PolarHBondContact O-N 3.28Å; G106-A110 WeakPolarHBondContact O-CB 3.19Å; G106-A110 PolarHBondContact O-N 3.01Å
107	D	97.2	Very high	94.9	Very high	104 Å²	104	70 Å²	70	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-66.4	-45.5	177.6	-75.8	-7.1	0	0	0	111.1	F57 N105 A109 A110 M111	F57-D107 HydrophobicContact CE2-CB 4.43Å; F57-D107 HydrophobicContact CZ-CB 4.31Å; N105-D107 VanDerWaalsContact C-N 3.31Å; N105-D107 PolarHBondContact O-N 3.26Å; N105-D107 PolarHBondContact OD1-N 3.5Å; D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 2.88Å; D107-A110 PolarHBondContact O-N 3.37Å; D107-M111 WeakPolarHBondContact O-CG 3.22Å; D107-M111 PolarHBondContact O-N 3.1Å
108	A	97.6	Very high	95	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-43.4	175.9	0	0	0	0	0	111.3	F57 P59 N105 M111 Y112 Y119	F57-A108 HydrophobicContact CD1-CB 4.04Å; F57-A108 HydrophobicContact CD2-CB 4.31Å; F57-A108 HydrophobicContact CE1-CB 3.64Å; F57-A108 HydrophobicContact CE2-CB 3.92Å; F57-A108 HydrophobicContact CG-CB 4.37Å; F57-A108 HydrophobicContact CZ-CB 3.57Å; P59-A108 HydrophobicContact CG-CB 4.14Å; N105-A108 HydrophobicContact CB-CB 3.88Å; N105-A108 VanDerWaalsContact CG-CB 3.5Å; N105-A108 PolarHBondContact O-N 3.37Å; N105-A108 PolarHBondContact OD1-N 3.08Å; A108-M111 PolarHBondContact O-N 3.28Å; A108-Y112 VanDerWaalsContact O-CB 3.27Å; A108-Y112 WeakPolarHBondContact O-CB 3.35Å; A108-Y112 PolarHBondContact O-N 3.31Å; A108-Y119 HydrophobicContact CB-CE2 4.24Å
109	A	97.6	Very high	95.3	Very high	5 Å²	5	66.9 Å²	66.9	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-45	177.1	0	0	0	0	0	112.5	P59 P103 N105 G106 D107 M111 Y112 L113	P59-A109 HydrophobicContact CB-CB 4.11Å; P59-A109 HydrophobicContact CG-CB 4.48Å; P103-A109 HydrophobicContact CB-CB 3.59Å; P103-A109 HydrophobicContact CG-CB 3.55Å; N105-A109 PolarHBondContact O-N 3.15Å; G106-A109 PolarHBondContact O-N 3.28Å; D107-A109 VanDerWaalsContact C-N 3.34Å; D107-A109 PolarHBondContact O-N 2.88Å; A109-M111 VanDerWaalsContact C-N 3.35Å; A109-M111 PolarHBondContact O-N 3.32Å; A109-Y112 PolarHBondContact O-N 3.45Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.13Å
110	A	97.3	Very high	95.7	Very high	37 Å²	37	68.8 Å²	68.8	31%	0.306	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-40.2	178.2	0	0	0	0	0	112	G106 D107 H114	G106-A110 WeakPolarHBondContact O-CB 3.19Å; G106-A110 PolarHBondContact O-N 3.01Å; D107-A110 PolarHBondContact O-N 3.37Å; A110-H114 WeakPolarHBondContact O-CB 3.36Å; A110-H114 PolarHBondContact O-CD2 2.98Å; A110-H114 PolarHBondContact O-N 3.32Å
111	M	97.7	Very high	96.4	Very high	24 Å²	24	71.2 Å²	71.2	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-44.4	173.5	-69.6	-177.9	-176.5	0	0	111.4	F57 D107 A108 A109 L113 R115 Y119 K122	F57-M111 HydrophobicContact CE1-SD 3.91Å; F57-M111 HydrophobicContact CZ-SD 3.94Å; D107-M111 WeakPolarHBondContact O-CG 3.22Å; D107-M111 PolarHBondContact O-N 3.1Å; A108-M111 PolarHBondContact O-N 3.28Å; A109-M111 VanDerWaalsContact C-N 3.35Å; A109-M111 PolarHBondContact O-N 3.32Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 3.44Å; M111-R115 CarbonylContact O-C 3.58Å; M111-R115 VanDerWaalsContact O-CA 3.26Å; M111-R115 WeakPolarHBondContact O-CA 3.48Å; M111-R115 PolarHBondContact O-N 3.36Å; M111-Y119 HydrophobicContact CB-CD2 4.16Å; M111-Y119 HydrophobicContact CB-CG 4.49Å; M111-K122 HydrophobicContact CE-CD 3.92Å; M111-K122 HydrophobicContact SD-CD 3.77Å
112	Y	96.9	Very high	96.9	Very high	75 Å²	75	67.9 Å²	67.9	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-57.1	-44.5	178.3	175.6	-108.4	0	0	0	112.4	P98 A108 A109 Y119	P98-Y112 HydrophobicContact CG-CD2 4.25Å; P98-Y112 HydrophobicContact CG-CE2 4.05Å; A108-Y112 VanDerWaalsContact O-CB 3.27Å; A108-Y112 WeakPolarHBondContact O-CB 3.35Å; A108-Y112 PolarHBondContact O-N 3.31Å; A109-Y112 PolarHBondContact O-N 3.45Å; Y112-Y119 HydrophobicContact CD2-CD1 4.02Å; Y112-Y119 AromaticContact CD2-CE1 3.72Å; Y112-Y119 HydrophobicContact CD2-CE1 3.72Å
113	L	96.2	Very high	97.4	Very high	93 Å²	93	61.1 Å²	61.1	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-77.9	-38.7	-177.5	-69.7	175.9	0	0	0	114.1	P100 A109 M111	P100-L113 HydrophobicContact CB-CD1 4.04Å; P100-L113 HydrophobicContact CB-CD2 3.87Å; P100-L113 HydrophobicContact CB-CG 4.11Å; P100-L113 HydrophobicContact CG-CD2 4.2Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.13Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 3.44Å
114	H	97.3	Very high	97.5	Very high	143 Å²	143	64.6 Å²	64.6	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-112.7	-21.6	-167.9	-56.5	-55.1	0	0	0	114	A110	A110-H114 WeakPolarHBondContact O-CB 3.36Å; A110-H114 PolarHBondContact O-CD2 2.98Å; A110-H114 PolarHBondContact O-N 3.32Å
115	R	97.2	Very high	97.6	Very high	102 Å²	102	66 Å²	66	39%	0.385	33%	0.327	S	S	.	.			trans	-142.3	61.9	-171.9	-62.2	173.7	-69	159.8	-10.6	110.8	M111 E117 E118 Y119	M111-R115 CarbonylContact O-C 3.58Å; M111-R115 VanDerWaalsContact O-CA 3.26Å; M111-R115 WeakPolarHBondContact O-CA 3.48Å; M111-R115 PolarHBondContact O-N 3.36Å; R115-E117 PolarHBondContact O-N 3.34Å; R115-E117 VanDerWaalsContact O-N 3.16Å; R115-E118 HydrophobicContact CB-CB 4.03Å; R115-E118 HydrophobicContact CB-CG 4.24Å; R115-E118 WeakPolarHBondContact CD-OE2 3.25Å; R115-E118 IonicContact CZ-OE2 3.47Å; R115-E118 IonicContact NE-OE2 2.72Å; R115-E118 IonicContact NH1-OE2 2.9Å; R115-E118 PolarHBondContact NH1-OE2 3.06Å; R115-E118 PolarHBondContact O-N 3.28Å; R115-E118 VanDerWaalsContact O-N 3.07Å; R115-Y119 PolarHBondContact O-N 3.19Å
116	P	95.8	Very high	97.6	Very high	63 Å²	63	67.1 Å²	67.1	41%	0.409	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-29.4	-170.3	24.2	-35.1	0	0	0	113.6	K120	P116-K120 VanDerWaalsContact O-CG 3.27Å; P116-K120 WeakPolarHBondContact O-CG 3.39Å; P116-K120 PolarHBondContact O-N 2.92Å; P116-K120 VanDerWaalsContact O-N 3.1Å
117	E	97.7	Very high	97.7	Very high	125 Å²	125	65.6 Å²	65.6	58%	0.584	31%	0.313	S	S	*	.	H	α-helix	trans	-73.4	-39	176	-60	-50.8	133.8	0	0	112.3	R115 Y119 K120 Q121	R115-E117 PolarHBondContact O-N 3.34Å; R115-E117 VanDerWaalsContact O-N 3.16Å; E117-Y119 VanDerWaalsContact C-N 3.32Å; E117-K120 PolarHBondContact O-N 3.14Å; E117-K120 IonicContact OE1-NZ 3.29Å; E117-K120 PolarHBondContact OE1-NZ 3Å; E117-K120 IonicContact OE2-NZ 2.63Å; E117-Q121 WeakPolarHBondContact O-CB 3.37Å; E117-Q121 PolarHBondContact O-N 3.24Å
118	E	98.1	Very high	97.7	Very high	97 Å²	97	67.5 Å²	67.5	45%	0.453	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-38.6	172.4	-69.1	178.9	-151.6	0	0	111.2	R115 Q121 K122	R115-E118 HydrophobicContact CB-CB 4.03Å; R115-E118 HydrophobicContact CB-CG 4.24Å; R115-E118 WeakPolarHBondContact CD-OE2 3.25Å; R115-E118 IonicContact CZ-OE2 3.47Å; R115-E118 IonicContact NE-OE2 2.72Å; R115-E118 IonicContact NH1-OE2 2.9Å; R115-E118 PolarHBondContact NH1-OE2 3.06Å; R115-E118 PolarHBondContact O-N 3.28Å; R115-E118 VanDerWaalsContact O-N 3.07Å; E118-Q121 PolarHBondContact O-N 3.38Å; E118-K122 WeakPolarHBondContact O-CB 3.24Å; E118-K122 PolarHBondContact O-N 2.83Å
119	Y	98.3	Very high	97.7	Very high	8 Å²	8	74.1 Å²	74.1	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-50.4	174.7	178.6	-112.8	0	0	0	111.4	Y28 F57 P59 A108 M111 Y112 R115 E117 Q121 K122 I123	Y28-Y119 PolarHBondContact OH-OH 3.42Å; F57-Y119 HydrophobicContact CD1-CD2 4.23Å; F57-Y119 HydrophobicContact CD1-CE2 4.17Å; F57-Y119 AromaticContact CE1-CD2 3.97Å; F57-Y119 HydrophobicContact CE1-CD2 3.97Å; F57-Y119 HydrophobicContact CE1-CE2 4.22Å; P59-Y119 VanDerWaalsContact CD-OH 3.28Å; P59-Y119 WeakPolarHBondContact CD-OH 3.12Å; A108-Y119 HydrophobicContact CB-CE2 4.24Å; M111-Y119 HydrophobicContact CB-CD2 4.16Å; M111-Y119 HydrophobicContact CB-CG 4.49Å; Y112-Y119 HydrophobicContact CD2-CD1 4.02Å; Y112-Y119 AromaticContact CD2-CE1 3.72Å; Y112-Y119 HydrophobicContact CD2-CE1 3.72Å; R115-Y119 PolarHBondContact O-N 3.19Å; E117-Y119 VanDerWaalsContact C-N 3.32Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.72Å; Y119-K122 PolarHBondContact O-N 2.77Å; Y119-I123 HydrophobicContact CD1-CD1 3.81Å; Y119-I123 HydrophobicContact CD2-CD1 4.11Å; Y119-I123 HydrophobicContact CE1-CD1 3.42Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.42Å; Y119-I123 HydrophobicContact CE2-CD1 3.73Å; Y119-I123 HydrophobicContact CE2-CG1 4.42Å; Y119-I123 HydrophobicContact CG-CD1 4.15Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 2.88Å
120	K	98.1	Very high	97.7	Very high	81 Å²	81	76.1 Å²	76.1	35%	0.352	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-44.5	176.5	-70.3	168.4	-170.9	169.7	0	111.9	P27 P116 E117 I123 K124	P27-K120 HydrophobicContact CB-CB 4.47Å; P27-K120 HydrophobicContact CB-CG 4.15Å; P27-K120 HydrophobicContact CG-CG 3.86Å; P116-K120 VanDerWaalsContact O-CG 3.27Å; P116-K120 WeakPolarHBondContact O-CG 3.39Å; P116-K120 PolarHBondContact O-N 2.92Å; P116-K120 VanDerWaalsContact O-N 3.1Å; E117-K120 PolarHBondContact O-N 3.14Å; E117-K120 IonicContact OE1-NZ 3.29Å; E117-K120 PolarHBondContact OE1-NZ 3Å; E117-K120 IonicContact OE2-NZ 2.63Å; K120-I123 PolarHBondContact O-N 3.08Å; K120-K124 WeakPolarHBondContact O-CG 3.47Å; K120-K124 PolarHBondContact O-N 3.01Å; K120-K124 VanDerWaalsContact O-N 3.08Å
121	Q	98.3	Very high	97.7	Very high	99 Å²	99	74.4 Å²	74.4	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-45.6	-179.1	-178.9	56.9	28.4	0	0	111.4	E117 E118 Y119 I123 K124 E125	E117-Q121 WeakPolarHBondContact O-CB 3.37Å; E117-Q121 PolarHBondContact O-N 3.24Å; E118-Q121 PolarHBondContact O-N 3.38Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.72Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.97Å; Q121-K124 WeakPolarHBondContact O-CB 3.28Å; Q121-K124 PolarHBondContact O-N 3.42Å; Q121-E125 PolarHBondContact NE2-OE1 3.39Å; Q121-E125 WeakPolarHBondContact O-CG 3.47Å; Q121-E125 PolarHBondContact O-N 3.1Å
122	K	98.3	Very high	97.7	Very high	50 Å²	50	74.2 Å²	74.2	22%	0.217	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-39.3	177.5	-172	159.9	178.6	-179	0	111.9	F57 M111 E118 Y119 K124 E125 Y126	F57-K122 HydrophobicContact CD1-CB 4.48Å; F57-K122 HydrophobicContact CD1-CD 4.28Å; F57-K122 HydrophobicContact CD1-CG 4.1Å; F57-K122 HydrophobicContact CE1-CB 4.43Å; F57-K122 HydrophobicContact CE1-CD 3.81Å; F57-K122 HydrophobicContact CE1-CG 4.1Å; F57-K122 HydrophobicContact CE2-CD 4.19Å; F57-K122 HydrophobicContact CG-CG 4.44Å; F57-K122 HydrophobicContact CZ-CD 3.77Å; F57-K122 HydrophobicContact CZ-CG 4.48Å; M111-K122 HydrophobicContact CE-CD 3.92Å; M111-K122 HydrophobicContact SD-CD 3.77Å; E118-K122 WeakPolarHBondContact O-CB 3.24Å; E118-K122 PolarHBondContact O-N 2.83Å; Y119-K122 PolarHBondContact O-N 2.77Å; K122-K124 PolarHBondContact O-N 3.41Å; K122-E125 PolarHBondContact O-N 3.16Å; K122-Y126 HydrophobicContact CD-CE2 4.46Å; K122-Y126 HydrophobicContact CG-CD2 4.03Å; K122-Y126 HydrophobicContact CG-CE2 3.89Å; K122-Y126 WeakPolarHBondContact O-CD2 3.48Å; K122-Y126 PolarHBondContact O-N 3.41Å
123	I	98.6	Very high	97.6	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-45.6	173.9	-70.4	165.9	0	0	0	111	P27 Y28 F57 Y119 K120 Q121 E125 Y126 I127	P27-I123 HydrophobicContact CB-CB 4.29Å; P27-I123 HydrophobicContact CB-CD1 3.8Å; P27-I123 HydrophobicContact CB-CG2 4.12Å; P27-I123 HydrophobicContact CG-CD1 4.4Å; P27-I123 VanDerWaalsContact O-CG2 3.28Å; P27-I123 WeakPolarHBondContact O-CG2 3.38Å; Y28-I123 HydrophobicContact CD1-CG2 3.73Å; Y28-I123 HydrophobicContact CE1-CD1 3.94Å; Y28-I123 HydrophobicContact CE1-CG1 4.15Å; Y28-I123 HydrophobicContact CE1-CG2 3.85Å; Y28-I123 HydrophobicContact CE2-CD1 4Å; Y28-I123 HydrophobicContact CG-CG2 4.26Å; Y28-I123 WeakPolarHBondContact OH-CD1 3.33Å; F57-I123 HydrophobicContact CB-CG1 4.45Å; F57-I123 HydrophobicContact CD1-CG1 4.2Å; Y119-I123 HydrophobicContact CD1-CD1 3.81Å; Y119-I123 HydrophobicContact CD2-CD1 4.11Å; Y119-I123 HydrophobicContact CE1-CD1 3.42Å; Y119-I123 VanDerWaalsContact CE1-CD1 3.42Å; Y119-I123 HydrophobicContact CE2-CD1 3.73Å; Y119-I123 HydrophobicContact CE2-CG1 4.42Å; Y119-I123 HydrophobicContact CG-CD1 4.15Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 2.88Å; K120-I123 PolarHBondContact O-N 3.08Å; Q121-I123 VanDerWaalsContact C-N 3.33Å; Q121-I123 PolarHBondContact O-N 2.97Å; I123-E125 VanDerWaalsContact C-N 3.31Å; I123-E125 PolarHBondContact O-N 2.89Å; I123-Y126 WeakPolarHBondContact O-CB 3.37Å; I123-Y126 PolarHBondContact O-N 2.88Å; I123-Y126 VanDerWaalsContact O-N 3.12Å; I123-I127 HydrophobicContact CG2-CD1 3.92Å; I123-I127 HydrophobicContact CG2-CG1 4.32Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.44Å
124	K	98.1	Very high	97.5	Very high	118 Å²	118	74.8 Å²	74.8	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-41.8	177.6	-72.1	178.7	179.2	-176.4	0	112.4	K120 Q121 K122 Y126 I127 Q128	K120-K124 WeakPolarHBondContact O-CG 3.47Å; K120-K124 PolarHBondContact O-N 3.01Å; K120-K124 VanDerWaalsContact O-N 3.08Å; Q121-K124 WeakPolarHBondContact O-CB 3.28Å; Q121-K124 PolarHBondContact O-N 3.42Å; K122-K124 PolarHBondContact O-N 3.41Å; K124-Y126 VanDerWaalsContact C-N 3.33Å; K124-I127 PolarHBondContact O-N 2.97Å; K124-Q128 WeakPolarHBondContact O-CG 3.33Å; K124-Q128 PolarHBondContact O-N 3.31Å
125	E	98.2	Very high	97.4	Very high	105 Å²	105	68.4 Å²	68.4	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-40.8	175.1	-70.7	167.4	-165.5	0	0	111.8	Q121 K122 I123 Q128 K129	Q121-E125 PolarHBondContact NE2-OE1 3.39Å; Q121-E125 WeakPolarHBondContact O-CG 3.47Å; Q121-E125 PolarHBondContact O-N 3.1Å; K122-E125 PolarHBondContact O-N 3.16Å; I123-E125 VanDerWaalsContact C-N 3.31Å; I123-E125 PolarHBondContact O-N 2.89Å; E125-Q128 PolarHBondContact O-N 2.94Å; E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 PolarHBondContact O-N 3.23Å; E125-K129 VanDerWaalsContact O-N 3.1Å
126	Y	98.2	Very high	97.2	Very high	36 Å²	36	63.9 Å²	63.9	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-41.3	174.9	-90.1	-121	0	0	0	111.9	K55 F57 E63 K122 I123 K124 K129 Y130	K55-Y126 HydrophobicContact CB-CD1 4.49Å; F57-Y126 HydrophobicContact CB-CD1 3.73Å; F57-Y126 HydrophobicContact CB-CD2 4.43Å; F57-Y126 HydrophobicContact CB-CE1 3.94Å; F57-Y126 HydrophobicContact CB-CG 3.99Å; F57-Y126 HydrophobicContact CD2-CE1 4.27Å; E63-Y126 HydrophobicContact CG-CE1 4.47Å; E63-Y126 PolarHBondContact OE1-OH 2.97Å; K122-Y126 HydrophobicContact CD-CE2 4.46Å; K122-Y126 HydrophobicContact CG-CD2 4.03Å; K122-Y126 HydrophobicContact CG-CE2 3.89Å; K122-Y126 WeakPolarHBondContact O-CD2 3.48Å; K122-Y126 PolarHBondContact O-N 3.41Å; I123-Y126 WeakPolarHBondContact O-CB 3.37Å; I123-Y126 PolarHBondContact O-N 2.88Å; I123-Y126 VanDerWaalsContact O-N 3.12Å; K124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-K129 PolarHBondContact O-N 2.85Å; Y126-Y130 AromaticContact CD1-CD2 3.88Å; Y126-Y130 HydrophobicContact CD1-CD2 3.88Å; Y126-Y130 AromaticContact CD1-CE2 3.91Å; Y126-Y130 HydrophobicContact CD1-CE2 3.91Å; Y126-Y130 HydrophobicContact CD2-CE2 4.5Å; Y126-Y130 HydrophobicContact CE1-CD2 4.47Å; Y126-Y130 HydrophobicContact CE1-CE2 4.1Å; Y126-Y130 HydrophobicContact CG-CD2 4.11Å; Y126-Y130 HydrophobicContact CG-CE2 4.13Å; Y126-Y130 WeakPolarHBondContact O-CB 3.32Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.37Å; Y126-Y130 PolarHBondContact O-N 3.41Å
127	I	98.4	Very high	97	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.051	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-52.6	177.3	-69.8	170.4	0	0	0	110.3	W33 I123 K124 K129 Y130 A131 T132	W33-I127 HydrophobicContact CH2-CD1 4.21Å; W33-I127 HydrophobicContact CH2-CG1 3.98Å; W33-I127 HydrophobicContact CZ2-CG1 3.98Å; I123-I127 HydrophobicContact CG2-CD1 3.92Å; I123-I127 HydrophobicContact CG2-CG1 4.32Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.44Å; K124-I127 PolarHBondContact O-N 2.97Å; I127-K129 PolarHBondContact O-N 3.11Å; I127-Y130 PolarHBondContact O-N 3.48Å; I127-A131 CarbonylContact O-C 3.25Å; I127-A131 VanDerWaalsContact O-C 3.29Å; I127-A131 WeakPolarHBondContact O-CA 3.3Å; I127-A131 PolarHBondContact O-N 2.89Å; I127-T132 WeakPolarHBondContact O-CG2 3.27Å; I127-T132 PolarHBondContact O-N 3.3Å
128	Q	97.8	Very high	96.6	Very high	145 Å²	145	67 Å²	67	68%	0.678	31%	0.306	S	S	*	.	H	α-helix	trans	-59.5	-31.8	-179.3	-68.8	-61.6	-32.8	0	0	112.7	K124 E125	K124-Q128 WeakPolarHBondContact O-CG 3.33Å; K124-Q128 PolarHBondContact O-N 3.31Å; E125-Q128 PolarHBondContact O-N 2.94Å
129	K	97.5	Very high	95.8	Very high	138 Å²	138	66.5 Å²	66.5	60%	0.6	30%	0.303	S	S	*	.	H	α-helix	trans	-89.2	-32.2	-176.5	-168.1	172.7	174.5	-167.8	0	114.3	E125 Y126 I127	E125-K129 WeakPolarHBondContact O-CB 3.4Å; E125-K129 PolarHBondContact O-N 3.23Å; E125-K129 VanDerWaalsContact O-N 3.1Å; Y126-K129 PolarHBondContact O-N 2.85Å; I127-K129 PolarHBondContact O-N 3.11Å
130	Y	97.6	Very high	94.9	Very high	48 Å²	48	71.3 Å²	71.3	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-132.2	-13.3	-166.8	-50.3	-64.9	0	0	0	114.7	N54 K55 Y126 I127	N54-Y130 PolarHBondContact ND2-O 2.77Å; K55-Y130 HydrophobicContact CB-CD1 4.4Å; K55-Y130 HydrophobicContact CB-CD2 3.75Å; K55-Y130 HydrophobicContact CB-CE2 4.31Å; K55-Y130 HydrophobicContact CB-CG 3.8Å; K55-Y130 HydrophobicContact CD-CD1 4.15Å; K55-Y130 HydrophobicContact CD-CD2 4.19Å; K55-Y130 HydrophobicContact CD-CE1 3.92Å; K55-Y130 HydrophobicContact CD-CE2 3.97Å; K55-Y130 HydrophobicContact CD-CG 4.28Å; K55-Y130 HydrophobicContact CG-CG 4.43Å; Y126-Y130 AromaticContact CD1-CD2 3.88Å; Y126-Y130 HydrophobicContact CD1-CD2 3.88Å; Y126-Y130 AromaticContact CD1-CE2 3.91Å; Y126-Y130 HydrophobicContact CD1-CE2 3.91Å; Y126-Y130 HydrophobicContact CD2-CE2 4.5Å; Y126-Y130 HydrophobicContact CE1-CD2 4.47Å; Y126-Y130 HydrophobicContact CE1-CE2 4.1Å; Y126-Y130 HydrophobicContact CG-CD2 4.11Å; Y126-Y130 HydrophobicContact CG-CE2 4.13Å; Y126-Y130 WeakPolarHBondContact O-CB 3.32Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.37Å; Y126-Y130 PolarHBondContact O-N 3.41Å; I127-Y130 PolarHBondContact O-N 3.48Å
131	A	97.7	Very high	93.9	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-135.3	35.6	-169.1	0	0	0	0	0	112.5	G31 V32 W33 I127	G31-A131 CarbonylContact C-O 3.55Å; G31-A131 WeakPolarHBondContact CA-O 3.27Å; V32-A131 PolarHBondContact N-O 2.76Å; V32-A131 WeakPolarHBondContact O-CA 3.43Å; V32-A131 WeakPolarHBondContact O-CB 3.15Å; W33-A131 HydrophobicContact CD2-CB 4.12Å; W33-A131 HydrophobicContact CG-CB 4.43Å; W33-A131 HydrophobicContact CZ2-CB 3.77Å; I127-A131 CarbonylContact O-C 3.25Å; I127-A131 VanDerWaalsContact O-C 3.29Å; I127-A131 WeakPolarHBondContact O-CA 3.3Å; I127-A131 PolarHBondContact O-N 2.89Å
132	T	97.6	Very high	92.1	Very high	21 Å²	21	73 Å²	73	13%	0.129	35%	0.353	C	S	.	.	S	Bend	trans	-101.6	163	164.3	77.9	0	0	0	0	110.3	I127 E134 A135 L136	I127-T132 WeakPolarHBondContact O-CG2 3.27Å; I127-T132 PolarHBondContact O-N 3.3Å; T132-E134 WeakPolarHBondContact CB-OE2 3.35Å; T132-E134 PolarHBondContact O-N 3.04Å; T132-E134 PolarHBondContact OG1-N 3.41Å; T132-E134 PolarHBondContact OG1-OE2 3.5Å; T132-A135 PolarHBondContact O-N 3.43Å; T132-A135 PolarHBondContact OG1-N 3.42Å; T132-A135 VanDerWaalsContact OG1-N 3.15Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 3.36Å
133	E	94.8	Very high	90.1	Very high	61 Å²	61	76.1 Å²	76.1	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-60.4	-32.7	175.7	-66.3	-74.4	-175	0	0	111.6	K19 V32 K137	K19-E133 WeakPolarHBondContact CE-OE1 3.39Å; K19-E133 IonicContact NZ-OE1 2.57Å; K19-E133 PolarHBondContact NZ-OE1 3.47Å; K19-E133 IonicContact NZ-OE2 3.15Å; K19-E133 PolarHBondContact NZ-OE2 2.82Å; V32-E133 HydrophobicContact CG2-CG 4.38Å; E133-K137 WeakPolarHBondContact O-CG 3.26Å; E133-K137 PolarHBondContact O-N 3.44Å
134	E	94.5	Very high	87.6	Confident	118 Å²	118	78.9 Å²	78.9	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-67.7	-49.5	175.2	-55.9	74.1	-156.7	0	0	111	T132 L136 K137 E138	T132-E134 WeakPolarHBondContact CB-OE2 3.35Å; T132-E134 PolarHBondContact O-N 3.04Å; T132-E134 PolarHBondContact OG1-N 3.41Å; T132-E134 PolarHBondContact OG1-OE2 3.5Å; E134-L136 VanDerWaalsContact C-N 3.25Å; E134-L136 PolarHBondContact O-N 2.85Å; E134-K137 PolarHBondContact O-N 2.78Å; E134-K137 VanDerWaalsContact O-N 3.1Å; E134-E138 WeakPolarHBondContact O-CG 3.35Å; E134-E138 PolarHBondContact O-N 3.4Å
135	A	94.3	Very high	84.8	Confident	10 Å²	10	79.6 Å²	79.6	8%	0.083	41%	0.414	C	S	.	.	H	α-helix	trans	-61.3	-34.1	179.1	0	0	0	0	0	112.5	T132 Q139	T132-A135 PolarHBondContact O-N 3.43Å; T132-A135 PolarHBondContact OG1-N 3.42Å; T132-A135 VanDerWaalsContact OG1-N 3.15Å; A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 2.82Å
136	L	93.1	Very high	82.2	Confident	6 Å²	6	80.3 Å²	80.3	3%	0.031	43%	0.431	C	S	.	.	H	α-helix	trans	-67.9	-36.9	175.7	-71.9	179	0	0	0	112.7	V32 K34 N54 T132 E134 E140	V32-L136 HydrophobicContact CB-CD1 4.05Å; V32-L136 HydrophobicContact CG1-CD1 3.68Å; K34-L136 HydrophobicContact CD-CD2 4.38Å; K34-L136 HydrophobicContact CG-CD2 4.36Å; N54-L136 HydrophobicContact CB-CD2 4.02Å; T132-L136 WeakPolarHBondContact O-CG 3.35Å; T132-L136 PolarHBondContact O-N 3.36Å; E134-L136 VanDerWaalsContact C-N 3.25Å; E134-L136 PolarHBondContact O-N 2.85Å; L136-E140 WeakPolarHBondContact O-CG 3.44Å; L136-E140 PolarHBondContact O-N 3.26Å
137	K	90.9	Very high	79.7	Confident	120 Å²	120	83.1 Å²	83.1	52%	0.522	46%	0.455	S	S	.	.	H	α-helix	trans	-69.7	-44	176.4	-71.2	170.5	-174.9	175.9	0	111.5	E133 E134 Q139 E140 E141	E133-K137 WeakPolarHBondContact O-CG 3.26Å; E133-K137 PolarHBondContact O-N 3.44Å; E134-K137 PolarHBondContact O-N 2.78Å; E134-K137 VanDerWaalsContact O-N 3.1Å; K137-Q139 VanDerWaalsContact C-N 3.26Å; K137-Q139 PolarHBondContact O-N 2.9Å; K137-E140 PolarHBondContact O-N 2.97Å; K137-E140 VanDerWaalsContact O-N 3.09Å; K137-E141 PolarHBondContact O-N 2.76Å
138	E	89.4	Confident	77.3	Confident	134 Å²	134	88.1 Å²	88.1	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-58.6	-37.8	177.4	-70.3	176.7	-175.4	0	0	112.1	E134 G142	E134-E138 WeakPolarHBondContact O-CG 3.35Å; E134-E138 PolarHBondContact O-N 3.4Å; E138-G142 PolarHBondContact O-N 2.98Å
139	Q	81.3	Confident	74.7	Confident	87 Å²	87	89.4 Å²	89.4	41%	0.407	50%	0.497	S	S	.	.	H	α-helix	trans	-68.7	-34.9	175.9	-76.6	-174	-9.9	0	0	113.5	A135 K137 T143	A135-Q139 WeakPolarHBondContact O-CG 3.43Å; A135-Q139 PolarHBondContact O-N 2.82Å; K137-Q139 VanDerWaalsContact C-N 3.26Å; K137-Q139 PolarHBondContact O-N 2.9Å; Q139-T143 PolarHBondContact O-N 3.37Å; Q139-T143 PolarHBondContact O-OG1 3.46Å
140	E	80.3	Confident	72.4	Confident	108 Å²	108	88.6 Å²	88.6	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-69.6	-42	175.1	-72.2	179.6	156.5	0	0	111.5	K34 L136 K137 T143	K34-E140 WeakPolarHBondContact CE-OE1 3.39Å; K34-E140 VanDerWaalsContact NZ-CG 3.27Å; K34-E140 IonicContact NZ-OE1 3.68Å; K34-E140 PolarHBondContact NZ-OE1 3.16Å; L136-E140 WeakPolarHBondContact O-CG 3.44Å; L136-E140 PolarHBondContact O-N 3.26Å; K137-E140 PolarHBondContact O-N 2.97Å; K137-E140 VanDerWaalsContact O-N 3.09Å; E140-T143 PolarHBondContact O-N 2.98Å; E140-T143 PolarHBondContact O-OG1 3.07Å; E140-T143 VanDerWaalsContact O-OG1 3.12Å
141	E	76.4	Confident	70	Confident	153 Å²	153	91.2 Å²	91.2	72%	0.715	54%	0.535	S	S	*	.	H	α-helix	trans	-69.3	-39.4	179.2	-69	178.5	179.3	0	0	111.6	K137 T143 G144	K137-E141 PolarHBondContact O-N 2.76Å; E141-T143 VanDerWaalsContact C-N 3.27Å; E141-T143 PolarHBondContact O-N 3.01Å; E141-G144 PolarHBondContact O-N 3.41Å
142	G	61.6	Low	67.8	Low	64 Å²	64	99.9 Å²	99.9	66%	0.66	58%	0.577	S	S	*	*	H	α-helix	trans	-70.8	-15.3	178.5	0	0	0	0	0	115.3	E138	E138-G142 PolarHBondContact O-N 2.98Å
143	T	56.3	Low	65.2	Low	115 Å²	115	105.2 Å²	105.2	71%	0.706	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-8.1	176	38.8	0	0	0	0	113.5	Q139 E140 E141	Q139-T143 PolarHBondContact O-N 3.37Å; Q139-T143 PolarHBondContact O-OG1 3.46Å; E140-T143 PolarHBondContact O-N 2.98Å; E140-T143 PolarHBondContact O-OG1 3.07Å; E140-T143 VanDerWaalsContact O-OG1 3.12Å; E141-T143 VanDerWaalsContact C-N 3.27Å; E141-T143 PolarHBondContact O-N 3.01Å
144	G	45.4	Very low	63.2	Low	60 Å²	60	108.7 Å²	108.7	62%	0.619	64%	0.636	S	S	*	*	S	Bend	trans	-81	-7.8	-179.5	0	0	0	0	0	116.3	E141	E141-G144 PolarHBondContact O-N 3.41Å
145	D	39.9	Very low	60.7	Low	132 Å²	132	111 Å²	111	71%	0.706	64%	0.644	S	S	*	*			trans	-111.7	24.9	-167.3	-155.9	25.4	0	0	0	115.1
146	S	43.2	Very low	58.3	Low	120 Å²	120	115.8 Å²	115.8	84%	0.839	68%	0.677	S	S	*	*	S	Bend	trans	-108.3	17.1	177.7	-160.4	0	0	0	0	114.4
147	S	45.3	Very low	56.3	Low	95 Å²	95	123.1 Å²	123.1	66%	0.664	71%	0.711	S	S	*	*	S	Bend	trans	-140.9	114	172.4	54.6	0	0	0	0	112.6
148	S	47.8	Very low	54.1	Low	115 Å²	115	124.7 Å²	124.7	80%	0.804	73%	0.726	S	S	*	*			trans	79.1	86.5	159.4	66.4	0	0	0	0	119.8
149	E	44.2	Very low	52.1	Low	172 Å²	172	126.3 Å²	126.3	80%	0.804	73%	0.733	S	S	*	*			trans	-150.3	63.9	135.7	54.5	-162.8	116.9	0	0	111.8	S151	E149-S151 PolarHBondContact O-N 3.06Å
150	S	48.1	Very low	50.6	Low	122 Å²	122	127 Å²	127	85%	0.853	75%	0.753	S	S	*	*			trans	-89.2	84.1	152.2	-56.3	0	0	0	0	107.8
151	S	47.4	Very low	49.1	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	77%	0.769	S	S	*	*			trans	-167.3	116.5	160	-90	0	0	0	0	111.6	E149	E149-S151 PolarHBondContact O-N 3.06Å
152	M	51.4	Low	47.5	Very low	182 Å²	182	129 Å²	129	90%	0.897	77%	0.767	S	S	*	*			trans	131.7	95.5	134.8	-60	-138.4	177	0	0	113.2
153	S	44.2	Very low	46.8	Very low	132 Å²	132	132.4 Å²	132.4	92%	0.923	77%	0.767	S	S	*	*			trans	-138.2	98.4	138.9	51	0	0	0	0	108.8
154	D	51.6	Low	46.6	Very low	134 Å²	134	135 Å²	135	72%	0.717	77%	0.771	S	S	*	*			trans	-106.7	127.4	177.1	-171.2	61.1	0	0	0	108.3
155	F	42.4	Very low	46.4	Very low	167 Å²	167	143.5 Å²	143.5	73%	0.732	80%	0.801	S	S	*	*			trans	59.3	145.2	159.3	-83.2	-106.5	0	0	0	119.7
156	S	44.9	Very low	46.8	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	81%	0.806	S	S	*	*			cis	-160.3	165.5	33.9	48.5	0	0	0	0	114.1
157	E	49.8	Very low	46.9	Very low	160 Å²	160	145.3 Å²	145.3	75%	0.748	80%	0.804	S	S	*	*			trans	-62.8	162.8	-177.2	-69.2	141	123.5	0	0	118.5
158	D	44.4	Very low	47	Very low	154 Å²	154	148.1 Å²	148.1	82%	0.824	81%	0.812	S	S	*	*				123.1	144.9	128.4	-123.8	-49	0	0	0	119.2
159	E	47.6	Very low	47	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	81%	0.813	S	S	*	*			trans	85.7	97	171.8	-59.7	-158.9	116.6	0	0	120.6
160	A	49.7	Very low	47.2	Very low	101 Å²	101	148.7 Å²	148.7	84%	0.835	81%	0.813	S	S	*	*				-157.1	102.6	119.2	0	0	0	0	0	110.8
161	Q	48.3	Very low	47.1	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	81%	0.81	S	S	*	*			trans	-55.2	137.4	153.1	-72.5	162.8	-14.2	0	0	109.4
162	D	43	Very low	47.1	Very low	126 Å²	126	153.9 Å²	153.9	67%	0.674	82%	0.817	S	S	*	*				-178.7	139.1	109.7	-127	-14.5	0	0	0	115.4
163	M	46.8	Very low	46.7	Very low	137 Å²	137	151.7 Å²	151.7	68%	0.675	81%	0.811	S	S	*	*			trans	46.9	107.9	148.6	-79.8	-178	-91.3	0	0	120.6
164	E	52.4	Low	47	Very low	169 Å²	169	153.3 Å²	153.3	79%	0.79	80%	0.801	S	S	*	*				89	126.3	80.5	-96	-165.2	135.6	0	0	115
165	L	42.5	Very low	46.5	Very low	238 Å²	238	155.1 Å²	155.1	100%	1.246	81%	0.809	S	S	*	*			trans	82.6	0	160.3	-60.6	165.7	0	0	0	119.6

Retrieved 165 of 165 residues in 543 ms (Link to these results)

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