A0A3Q0KP17_SCHMA Loading...

Ubiquitin-conjugating enzyme E2 H

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

AlphaFold DB , UniProt , Accession A0A3Q0KP17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.1	Low	87.4	Confident	244 Å²	244	92.8 Å²	92.8	100%	1.202	53%	0.527	S	S	*	.				0	131.6	0	-60.9	-166.8	-158.5	0	0	108.1
2	S	74.6	Confident	88.1	Confident	119 Å²	119	88.6 Å²	88.6	83%	0.832	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.8	177.5	38.9	0	0	0	0	110.8
3	S	80	Confident	88.8	Confident	102 Å²	102	88.6 Å²	88.6	71%	0.713	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-60	140.2	176	-54.9	0	0	0	0	110.5
4	P	85.5	Confident	89.4	Confident	61 Å²	61	83 Å²	83	40%	0.396	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-60.3	144.2	178	19.9	-27.5	0	0	0	110.5	K8 K9	P4-K8 HydrophobicContact CB-CB 4.26Å; P4-K8 HydrophobicContact CB-CD 4.09Å; P4-K8 HydrophobicContact CB-CG 4.11Å; P4-K9 HydrophobicContact CB-CG 4.14Å; P4-K9 HydrophobicContact CG-CD 4.47Å; P4-K9 HydrophobicContact CG-CG 3.87Å; P4-K9 WeakPolarHBondContact O-CE 3.31Å
5	S	91.1	Very high	90	Very high	67 Å²	67	77.5 Å²	77.5	47%	0.469	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.4	154.1	178.4	70.3	0	0	0	0	110.7	G7 K8 K9	S5-G7 PolarHBondContact O-N 3.38Å; S5-K8 PolarHBondContact O-N 3.19Å; S5-K8 WeakPolarHBondContact OG-CB 3.33Å; S5-K8 PolarHBondContact OG-N 2.9Å; S5-K8 VanDerWaalsContact OG-N 3.13Å; S5-K9 PolarHBondContact O-N 3.41Å
6	P	92.6	Very high	90.4	Very high	113 Å²	113	76.8 Å²	76.8	73%	0.734	44%	0.439	S	S	*	.	H	α-helix	trans	-54.3	-40.1	176.3	-26.7	34.9	0	0	0	112.9	K9 R10	P6-K9 PolarHBondContact O-N 2.96Å; P6-R10 WeakPolarHBondContact O-CB 3.11Å; P6-R10 PolarHBondContact O-N 2.93Å
7	G	92.3	Very high	90.8	Very high	17 Å²	17	78.2 Å²	78.2	18%	0.175	44%	0.439	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.3	0	0	0	0	0	112.6	S5 R10 M11 Y61	S5-G7 PolarHBondContact O-N 3.38Å; G7-R10 PolarHBondContact O-N 3.47Å; G7-M11 PolarHBondContact O-N 2.87Å; G7-Y61 WeakPolarHBondContact CA-O 3.38Å
8	K	93.9	Very high	91.2	Very high	93 Å²	93	73.8 Å²	73.8	40%	0.404	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.4	-179.2	164	176.4	52.1	0	112.3	P4 S5 R10 M11 D12	P4-K8 HydrophobicContact CB-CB 4.26Å; P4-K8 HydrophobicContact CB-CD 4.09Å; P4-K8 HydrophobicContact CB-CG 4.11Å; S5-K8 PolarHBondContact O-N 3.19Å; S5-K8 WeakPolarHBondContact OG-CB 3.33Å; S5-K8 PolarHBondContact OG-N 2.9Å; S5-K8 VanDerWaalsContact OG-N 3.13Å; K8-R10 VanDerWaalsContact C-N 3.26Å; K8-R10 PolarHBondContact O-N 2.93Å; K8-M11 HydrophobicContact CG-CE 4.29Å; K8-M11 PolarHBondContact O-N 3.48Å; K8-D12 IonicContact NZ-OD1 3.24Å; K8-D12 PolarHBondContact NZ-OD1 2.88Å; K8-D12 IonicContact NZ-OD2 3.62Å; K8-D12 PolarHBondContact O-N 3.37Å
9	K	95.1	Very high	91.5	Very high	111 Å²	111	73.7 Å²	73.7	48%	0.483	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-39.8	175	-69.7	-178.2	179.9	-178.2	0	111.7	P4 S5 P6 T13	P4-K9 HydrophobicContact CB-CG 4.14Å; P4-K9 HydrophobicContact CG-CD 4.47Å; P4-K9 HydrophobicContact CG-CG 3.87Å; P4-K9 WeakPolarHBondContact O-CE 3.31Å; S5-K9 PolarHBondContact O-N 3.41Å; P6-K9 PolarHBondContact O-N 2.96Å; K9-T13 WeakPolarHBondContact O-CB 3.26Å; K9-T13 PolarHBondContact O-N 3.37Å; K9-T13 PolarHBondContact O-OG1 2.89Å
10	R	96.9	Very high	91.8	Very high	66 Å²	66	78 Å²	78	25%	0.249	43%	0.428	C	S	.	.	H	α-helix	trans	-65.9	-47.3	177.6	-178.2	62.5	-170.7	-77.3	-13.1	111.5	P6 G7 K8 T13 D14 Y61 P62 A97 Y99	P6-R10 WeakPolarHBondContact O-CB 3.11Å; P6-R10 PolarHBondContact O-N 2.93Å; G7-R10 PolarHBondContact O-N 3.47Å; K8-R10 VanDerWaalsContact C-N 3.26Å; K8-R10 PolarHBondContact O-N 2.93Å; R10-T13 PolarHBondContact O-N 3.33Å; R10-D14 WeakPolarHBondContact CD-OD1 3.21Å; R10-D14 IonicContact CZ-OD1 3.71Å; R10-D14 IonicContact CZ-OD2 2.86Å; R10-D14 IonicContact NE-OD1 2.81Å; R10-D14 PolarHBondContact NE-OD1 3.36Å; R10-D14 IonicContact NE-OD2 3.72Å; R10-D14 PolarHBondContact NE-OD2 3Å; R10-D14 IonicContact NH2-OD1 3.24Å; R10-D14 IonicContact NH2-OD2 3.41Å; R10-D14 PolarHBondContact NH2-OD2 2.99Å; R10-D14 WeakPolarHBondContact O-CB 3.48Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 2.92Å; R10-Y61 HydrophobicContact CG-CE1 4.12Å; R10-P62 HydrophobicContact CG-CG 4.05Å; R10-A97 PolarHBondContact NH1-O 2.98Å; R10-Y99 PolarHBondContact NH2-O 3.46Å
11	M	97.1	Very high	92	Very high	28 Å²	28	76 Å²	76	14%	0.138	42%	0.42	C	S	.	.	H	α-helix	trans	-55.5	-54.2	174.5	177.4	173.3	57.5	0	0	111.3	G7 K8 T13 D14 V15 N32 L57 Y61	G7-M11 PolarHBondContact O-N 2.87Å; K8-M11 HydrophobicContact CG-CE 4.29Å; K8-M11 PolarHBondContact O-N 3.48Å; M11-T13 PolarHBondContact O-N 3.03Å; M11-D14 PolarHBondContact O-N 2.88Å; M11-V15 HydrophobicContact CG-CG2 4.18Å; M11-V15 WeakPolarHBondContact O-CB 3.43Å; M11-V15 WeakPolarHBondContact O-CG2 3.36Å; M11-V15 PolarHBondContact O-N 3.11Å; M11-N32 HydrophobicContact SD-CB 3.79Å; M11-L57 HydrophobicContact CG-CD1 3.65Å; M11-L57 HydrophobicContact SD-CB 4.03Å; M11-L57 HydrophobicContact SD-CD1 4.11Å; M11-Y61 HydrophobicContact CB-CD1 3.73Å; M11-Y61 HydrophobicContact CB-CE1 4.16Å; M11-Y61 HydrophobicContact CG-CD1 4.41Å
12	D	96.1	Very high	93.7	Very high	42 Å²	42	71.8 Å²	71.8	23%	0.225	40%	0.395	C	S	.	.	H	α-helix	trans	-57.4	-40.2	-178.6	-61	-13	0	0	0	110.6	K8 V16 L31	K8-D12 IonicContact NZ-OD1 3.24Å; K8-D12 PolarHBondContact NZ-OD1 2.88Å; K8-D12 IonicContact NZ-OD2 3.62Å; K8-D12 PolarHBondContact O-N 3.37Å; D12-V16 WeakPolarHBondContact O-CB 3.46Å; D12-V16 WeakPolarHBondContact O-CG2 3.47Å; D12-V16 PolarHBondContact O-N 2.52Å; D12-V16 VanDerWaalsContact O-N 3.1Å; D12-L31 HydrophobicContact CB-CD1 4.47Å
13	T	96.9	Very high	94.8	Very high	89 Å²	89	67.8 Å²	67.8	55%	0.546	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-47.8	177.8	-54.5	0	0	0	0	112.7	K9 R10 M11 V15 V16 K17	K9-T13 WeakPolarHBondContact O-CB 3.26Å; K9-T13 PolarHBondContact O-N 3.37Å; K9-T13 PolarHBondContact O-OG1 2.89Å; R10-T13 PolarHBondContact O-N 3.33Å; M11-T13 PolarHBondContact O-N 3.03Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.45Å; T13-V16 PolarHBondContact O-N 2.82Å; T13-K17 WeakPolarHBondContact O-CB 3.25Å; T13-K17 PolarHBondContact O-N 3.23Å
14	D	98	Very high	95.6	Very high	10 Å²	10	68 Å²	68	5%	0.053	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-38	-177.5	-71.1	-6	0	0	0	111.1	R10 M11 K17 L18 Y61 L101	R10-D14 WeakPolarHBondContact CD-OD1 3.21Å; R10-D14 IonicContact CZ-OD1 3.71Å; R10-D14 IonicContact CZ-OD2 2.86Å; R10-D14 IonicContact NE-OD1 2.81Å; R10-D14 PolarHBondContact NE-OD1 3.36Å; R10-D14 IonicContact NE-OD2 3.72Å; R10-D14 PolarHBondContact NE-OD2 3Å; R10-D14 IonicContact NH2-OD1 3.24Å; R10-D14 IonicContact NH2-OD2 3.41Å; R10-D14 PolarHBondContact NH2-OD2 2.99Å; R10-D14 WeakPolarHBondContact O-CB 3.48Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 2.92Å; M11-D14 PolarHBondContact O-N 2.88Å; D14-K17 PolarHBondContact O-N 2.94Å; D14-L18 PolarHBondContact O-N 3.43Å; D14-Y61 HydrophobicContact CB-CE1 4.46Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.19Å; D14-Y61 PolarHBondContact OD2-OH 3.47Å; D14-L101 HydrophobicContact CB-CB 4.11Å; D14-L101 HydrophobicContact CB-CD2 4.34Å
15	V	97.6	Very high	96.2	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-68.5	-45	177.5	175.3	0	0	0	0	111	M11 T13 K17 L18 I19 L31 L34 L57 L101	M11-V15 HydrophobicContact CG-CG2 4.18Å; M11-V15 WeakPolarHBondContact O-CB 3.43Å; M11-V15 WeakPolarHBondContact O-CG2 3.36Å; M11-V15 PolarHBondContact O-N 3.11Å; T13-V15 VanDerWaalsContact C-N 3.32Å; T13-V15 PolarHBondContact O-N 3.45Å; V15-K17 VanDerWaalsContact C-N 3.29Å; V15-K17 PolarHBondContact O-N 3.35Å; V15-L18 WeakPolarHBondContact O-CB 3.5Å; V15-L18 PolarHBondContact O-N 3.03Å; V15-L18 VanDerWaalsContact O-N 3.12Å; V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 2.91Å; V15-L31 HydrophobicContact CG1-CB 4.19Å; V15-L31 HydrophobicContact CG1-CD2 3.85Å; V15-L31 VanDerWaalsContact CG2-O 3.25Å; V15-L31 WeakPolarHBondContact CG2-O 3.41Å; V15-L34 HydrophobicContact CG1-CD1 3.96Å; V15-L34 HydrophobicContact CG1-CD2 3.9Å; V15-L34 HydrophobicContact CG2-CD1 4.16Å; V15-L57 HydrophobicContact CG2-CD1 3.52Å; V15-L101 HydrophobicContact CG2-CD2 4.17Å
16	V	97	Very high	96.5	Very high	66 Å²	66	67 Å²	67	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-59.2	-43.7	174.7	168.2	0	0	0	0	110.6	D12 T13 L18 I19 E20	D12-V16 WeakPolarHBondContact O-CB 3.46Å; D12-V16 WeakPolarHBondContact O-CG2 3.47Å; D12-V16 PolarHBondContact O-N 2.52Å; D12-V16 VanDerWaalsContact O-N 3.1Å; T13-V16 PolarHBondContact O-N 2.82Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.92Å; V16-I19 PolarHBondContact O-N 3.38Å; V16-I19 VanDerWaalsContact O-N 3.15Å; V16-E20 HydrophobicContact CG1-CG 4.3Å; V16-E20 WeakPolarHBondContact O-CG 3.39Å; V16-E20 PolarHBondContact O-N 2.89Å
17	K	97.4	Very high	96.8	Very high	101 Å²	101	65.4 Å²	65.4	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-38.4	175.7	-170.8	-174.3	-179	-169.4	0	112.5	T13 D14 V15 S21 D100	T13-K17 WeakPolarHBondContact O-CB 3.25Å; T13-K17 PolarHBondContact O-N 3.23Å; D14-K17 PolarHBondContact O-N 2.94Å; V15-K17 VanDerWaalsContact C-N 3.29Å; V15-K17 PolarHBondContact O-N 3.35Å; K17-S21 PolarHBondContact O-N 3.09Å; K17-D100 IonicContact NZ-OD1 3.69Å; K17-D100 IonicContact NZ-OD2 2.62Å; K17-D100 PolarHBondContact NZ-OD2 3.41Å
18	L	98	Very high	96.9	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-43.4	175.6	-145.9	-26.4	0	0	0	110.9	D14 V15 V16 S21 Y23 V25 L34 V36 L101 F105	D14-L18 PolarHBondContact O-N 3.43Å; V15-L18 WeakPolarHBondContact O-CB 3.5Å; V15-L18 PolarHBondContact O-N 3.03Å; V15-L18 VanDerWaalsContact O-N 3.12Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 2.92Å; L18-S21 VanDerWaalsContact O-CB 3.27Å; L18-S21 WeakPolarHBondContact O-CB 3.27Å; L18-S21 PolarHBondContact O-N 3.02Å; L18-S21 PolarHBondContact O-OG 3.01Å; L18-Y23 HydrophobicContact CD1-CD2 4.11Å; L18-Y23 HydrophobicContact CD1-CG 4.41Å; L18-V25 HydrophobicContact CD1-CG2 3.97Å; L18-V25 HydrophobicContact CD2-CG2 4.2Å; L18-V25 HydrophobicContact CG-CG2 4.46Å; L18-L34 HydrophobicContact CD2-CD1 3.88Å; L18-V36 HydrophobicContact CD2-CG2 4.08Å; L18-L101 HydrophobicContact CB-CD2 4.4Å; L18-L101 HydrophobicContact CD2-CD2 4.02Å; L18-L101 HydrophobicContact CD2-CG 4.24Å; L18-L101 HydrophobicContact CG-CD2 4.34Å; L18-L101 HydrophobicContact CG-CG 4.39Å; L18-F105 HydrophobicContact CD1-CD2 4.24Å; L18-F105 HydrophobicContact CD1-CE2 4.37Å; L18-F105 HydrophobicContact CD2-CE2 4.08Å
19	I	97.1	Very high	96.8	Very high	72 Å²	72	67 Å²	67	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-39.2	178.3	-67.5	163.4	0	0	0	111.5	V15 V16 S21 V25 I27	V15-I19 HydrophobicContact CG1-CD1 3.89Å; V15-I19 WeakPolarHBondContact O-CG1 3.42Å; V15-I19 PolarHBondContact O-N 2.91Å; V16-I19 PolarHBondContact O-N 3.38Å; V16-I19 VanDerWaalsContact O-N 3.15Å; I19-S21 PolarHBondContact O-N 3.04Å; I19-V25 HydrophobicContact CG1-CB 4.16Å; I19-V25 HydrophobicContact CG1-CG1 3.98Å; I19-I27 HydrophobicContact CD1-CD1 3.9Å; I19-I27 HydrophobicContact CD1-CG1 4.29Å
20	E	97	Very high	96.7	Very high	158 Å²	158	62.6 Å²	62.6	74%	0.738	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-4.7	177.9	-68.9	179.5	166.6	0	0	113.5	V16	V16-E20 HydrophobicContact CG1-CG 4.3Å; V16-E20 WeakPolarHBondContact O-CG 3.39Å; V16-E20 PolarHBondContact O-N 2.89Å
21	S	96.7	Very high	96.6	Very high	37 Å²	37	62.3 Å²	62.3	26%	0.259	34%	0.341	S	S	.	.	S	Bend	trans	-79.6	-172.9	178.2	82.1	0	0	0	0	112.2	K17 L18 I19 Y23	K17-S21 PolarHBondContact O-N 3.09Å; L18-S21 VanDerWaalsContact O-CB 3.27Å; L18-S21 WeakPolarHBondContact O-CB 3.27Å; L18-S21 PolarHBondContact O-N 3.02Å; L18-S21 PolarHBondContact O-OG 3.01Å; I19-S21 PolarHBondContact O-N 3.04Å; S21-Y23 PolarHBondContact O-N 3.5Å; S21-Y23 WeakPolarHBondContact OG-CD2 3.43Å; S21-Y23 PolarHBondContact OG-N 2.9Å
22	K	96.8	Very high	96.6	Very high	155 Å²	155	64.7 Å²	64.7	67%	0.674	35%	0.354	S	S	*	.	S	Bend	trans	-73.2	-9.9	174.9	66.7	-174.6	174.4	-168	0	114.2	E106	K22-E106 WeakPolarHBondContact CE-OE1 3.41Å; K22-E106 IonicContact NZ-OE1 3.35Å; K22-E106 PolarHBondContact NZ-OE1 3.45Å
23	Y	97.8	Very high	96.7	Very high	36 Å²	36	64.7 Å²	64.7	14%	0.141	35%	0.353	C	S	.	.	S	Bend	trans	-82.2	139.6	-174	-68.3	-75.5	0	0	0	111.7	L18 S21 V25 V36 T102 F105 E106	L18-Y23 HydrophobicContact CD1-CD2 4.11Å; L18-Y23 HydrophobicContact CD1-CG 4.41Å; S21-Y23 PolarHBondContact O-N 3.5Å; S21-Y23 WeakPolarHBondContact OG-CD2 3.43Å; S21-Y23 PolarHBondContact OG-N 2.9Å; Y23-V25 PolarHBondContact O-N 3.29Å; Y23-V36 HydrophobicContact CD1-CG1 4.27Å; Y23-V36 HydrophobicContact CG-CG1 4.31Å; Y23-T102 HydrophobicContact CD2-CG2 4.03Å; Y23-T102 HydrophobicContact CE2-CG2 3.77Å; Y23-F105 HydrophobicContact CD1-CB 4.01Å; Y23-F105 HydrophobicContact CD1-CG 4.45Å; Y23-F105 HydrophobicContact CD2-CB 4.36Å; Y23-F105 HydrophobicContact CE1-CB 3.44Å; Y23-F105 VanDerWaalsContact CE1-CB 3.44Å; Y23-F105 HydrophobicContact CE1-CG 4.32Å; Y23-F105 HydrophobicContact CE2-CB 3.87Å; Y23-F105 HydrophobicContact CG-CB 4.44Å; Y23-F105 PolarHBondContact OH-O 2.93Å; Y23-F105 VanDerWaalsContact OH-O 3.11Å; Y23-E106 HydrophobicContact CE2-CG 3.73Å; Y23-E106 WeakPolarHBondContact OH-CA 3.37Å; Y23-E106 WeakPolarHBondContact OH-CG 3.48Å; Y23-E106 PolarHBondContact OH-N 3.32Å
24	E	97.7	Very high	96.8	Very high	107 Å²	107	60.5 Å²	60.5	50%	0.5	33%	0.327	S	S	.	.			trans	-77.7	103.5	172.3	-61.3	172.8	-116.5	0	0	108.6	V36 K37	E24-V36 WeakPolarHBondContact O-CA 3.43Å; E24-K37 HydrophobicContact CB-CB 4.03Å; E24-K37 PolarHBondContact O-N 3.27Å; E24-K37 WeakPolarHBondContact OE1-CD 3.36Å; E24-K37 IonicContact OE1-NZ 2.77Å; E24-K37 PolarHBondContact OE1-NZ 2.75Å; E24-K37 IonicContact OE2-NZ 3.44Å; E24-K37 PolarHBondContact OE2-NZ 3.04Å
25	V	98.1	Very high	96.8	Very high	31 Å²	31	62 Å²	62	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.1	-177.3	-174.5	0	0	0	0	110.6	L18 I19 Y23 L34 M35 V36	L18-V25 HydrophobicContact CD1-CG2 3.97Å; L18-V25 HydrophobicContact CD2-CG2 4.2Å; L18-V25 HydrophobicContact CG-CG2 4.46Å; I19-V25 HydrophobicContact CG1-CB 4.16Å; I19-V25 HydrophobicContact CG1-CG1 3.98Å; Y23-V25 PolarHBondContact O-N 3.29Å; V25-L34 HydrophobicContact CG1-CB 4.4Å; V25-L34 HydrophobicContact CG1-CD1 4.49Å; V25-L34 HydrophobicContact CG1-CD2 4.27Å; V25-M35 CarbonylContact C-O 3.53Å; V25-M35 WeakPolarHBondContact CA-O 3.33Å; V25-V36 HydrophobicContact CG1-CG2 4.3Å; V25-V36 HydrophobicContact CG2-CG1 4.47Å; V25-V36 HydrophobicContact CG2-CG2 4.14Å
26	T	97.6	Very high	96.8	Very high	76 Å²	76	62 Å²	62	47%	0.466	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.4	170.4	-59.5	0	0	0	0	109.3	L28 M35	T26-L28 HydrophobicContact CG2-CD2 4.28Å; T26-M35 PolarHBondContact N-O 3.25Å; T26-M35 PolarHBondContact O-N 3.39Å
27	I	97.1	Very high	96.9	Very high	79 Å²	79	61.7 Å²	61.7	41%	0.405	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.5	173.9	-60.4	166.8	0	0	0	108	I19 G30 L31 L34	I19-I27 HydrophobicContact CD1-CD1 3.9Å; I19-I27 HydrophobicContact CD1-CG1 4.29Å; I27-G30 WeakPolarHBondContact CG2-O 3.43Å; I27-L31 HydrophobicContact CD1-CD2 3.77Å; I27-L31 HydrophobicContact CG1-CD2 4.42Å; I27-L34 HydrophobicContact CG1-CD2 4Å
28	L	94.9	Very high	96.9	Very high	71 Å²	71	57.1 Å²	57.1	37%	0.372	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-111.7	178.5	-57.1	-176.4	0	0	0	110.3	T26 G30 E33 M35	T26-L28 HydrophobicContact CG2-CD2 4.28Å; L28-G30 VanDerWaalsContact C-N 3.26Å; L28-G30 PolarHBondContact O-N 3.48Å; L28-E33 HydrophobicContact CB-CB 4.37Å; L28-E33 HydrophobicContact CB-CG 3.88Å; L28-E33 HydrophobicContact CD1-CG 3.98Å; L28-E33 HydrophobicContact CG-CG 4.39Å; L28-E33 PolarHBondContact N-O 3.38Å; L28-M35 HydrophobicContact CD1-CB 4.33Å; L28-M35 HydrophobicContact CD2-CB 4.32Å; L28-M35 HydrophobicContact CD2-CE 4.25Å; L28-M35 HydrophobicContact CG-CB 4.39Å
29	G	91.2	Very high	96.9	Very high	71 Å²	71	62.3 Å²	62.3	73%	0.732	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	-18.9	178.7	0	0	0	0	0	114.6	E33	G29-E33 PolarHBondContact N-OE2 3.04Å; G29-E33 VanDerWaalsContact N-OE2 3.1Å
30	G	94.5	Very high	97	Very high	19 Å²	19	59.3 Å²	59.3	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-178.9	179.6	0	0	0	0	0	112.8	I27 L28 N32 E33	I27-G30 WeakPolarHBondContact CG2-O 3.43Å; L28-G30 VanDerWaalsContact C-N 3.26Å; L28-G30 PolarHBondContact O-N 3.48Å; G30-N32 PolarHBondContact O-N 3.13Å; G30-E33 CarbonylContact O-C 3.6Å; G30-E33 PolarHBondContact O-N 2.97Å
31	L	94.7	Very high	97.1	Very high	60 Å²	60	52.5 Å²	52.5	31%	0.314	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.2	-179.1	-62.1	-178.3	0	0	0	113.8	D12 V15 I27	D12-L31 HydrophobicContact CB-CD1 4.47Å; V15-L31 HydrophobicContact CG1-CB 4.19Å; V15-L31 HydrophobicContact CG1-CD2 3.85Å; V15-L31 VanDerWaalsContact CG2-O 3.25Å; V15-L31 WeakPolarHBondContact CG2-O 3.41Å; I27-L31 HydrophobicContact CD1-CD2 3.77Å; I27-L31 HydrophobicContact CG1-CD2 4.42Å
32	N	96.7	Very high	97.1	Very high	79 Å²	79	55 Å²	55	42%	0.422	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.8	175.2	67.5	-56.5	0	0	0	113.7	M11 G30 D56 L57	M11-N32 HydrophobicContact SD-CB 3.79Å; G30-N32 PolarHBondContact O-N 3.13Å; N32-D56 CarbonylContact O-C 3.55Å; N32-D56 WeakPolarHBondContact O-CA 3.39Å; N32-L57 HydrophobicContact CB-CB 4.22Å; N32-L57 PolarHBondContact O-N 3.49Å
33	E	98.1	Very high	97.1	Very high	42 Å²	42	56.7 Å²	56.7	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	106.9	-179.6	-172.6	-172.8	-156.7	0	0	109.3	L28 G29 G30 R54	L28-E33 HydrophobicContact CB-CB 4.37Å; L28-E33 HydrophobicContact CB-CG 3.88Å; L28-E33 HydrophobicContact CD1-CG 3.98Å; L28-E33 HydrophobicContact CG-CG 4.39Å; L28-E33 PolarHBondContact N-O 3.38Å; G29-E33 PolarHBondContact N-OE2 3.04Å; G29-E33 VanDerWaalsContact N-OE2 3.1Å; G30-E33 CarbonylContact O-C 3.6Å; G30-E33 PolarHBondContact O-N 2.97Å; E33-R54 IonicContact OE1-CZ 2.82Å; E33-R54 IonicContact OE1-NE 3.57Å; E33-R54 IonicContact OE1-NH1 3.54Å; E33-R54 PolarHBondContact OE1-NH1 3.13Å; E33-R54 IonicContact OE1-NH2 3.92Å; E33-R54 PolarHBondContact OE1-NH2 2.93Å
34	L	98.2	Very high	97.1	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150	-173.3	-53.3	175.1	0	0	0	110.3	V15 L18 V25 I27 R54 V55 L101	V15-L34 HydrophobicContact CG1-CD1 3.96Å; V15-L34 HydrophobicContact CG1-CD2 3.9Å; V15-L34 HydrophobicContact CG2-CD1 4.16Å; L18-L34 HydrophobicContact CD2-CD1 3.88Å; V25-L34 HydrophobicContact CG1-CB 4.4Å; V25-L34 HydrophobicContact CG1-CD1 4.49Å; V25-L34 HydrophobicContact CG1-CD2 4.27Å; I27-L34 HydrophobicContact CG1-CD2 4Å; L34-R54 CarbonylContact O-C 3.53Å; L34-R54 VanDerWaalsContact O-CA 3.3Å; L34-R54 WeakPolarHBondContact O-CA 3.26Å; L34-V55 PolarHBondContact N-O 3.21Å; L34-V55 PolarHBondContact O-N 3Å; L34-L101 HydrophobicContact CD1-CD2 4.44Å
35	M	98.2	Very high	97.1	Very high	42 Å²	42	52.3 Å²	52.3	21%	0.207	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.2	162.8	-172.4	-143.5	-60	0	0	108.4	V25 T26 L28 K52 V53	V25-M35 CarbonylContact C-O 3.53Å; V25-M35 WeakPolarHBondContact CA-O 3.33Å; T26-M35 PolarHBondContact N-O 3.25Å; T26-M35 PolarHBondContact O-N 3.39Å; L28-M35 HydrophobicContact CD1-CB 4.33Å; L28-M35 HydrophobicContact CD2-CB 4.32Å; L28-M35 HydrophobicContact CD2-CE 4.25Å; L28-M35 HydrophobicContact CG-CB 4.39Å; M35-K52 HydrophobicContact CE-CD 4.35Å; M35-K52 HydrophobicContact CG-CB 4.02Å; M35-K52 HydrophobicContact SD-CB 3.79Å; M35-K52 HydrophobicContact SD-CD 3.81Å; M35-K52 HydrophobicContact SD-CG 3.71Å; M35-V53 CarbonylContact C-O 3.15Å; M35-V53 WeakPolarHBondContact CA-O 3.5Å
36	V	98.5	Very high	97.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.5	179.7	-174	0	0	0	0	109.3	L18 Y23 E24 V25 F38 V53 F105	L18-V36 HydrophobicContact CD2-CG2 4.08Å; Y23-V36 HydrophobicContact CD1-CG1 4.27Å; Y23-V36 HydrophobicContact CG-CG1 4.31Å; E24-V36 WeakPolarHBondContact O-CA 3.43Å; V25-V36 HydrophobicContact CG1-CG2 4.3Å; V25-V36 HydrophobicContact CG2-CG1 4.47Å; V25-V36 HydrophobicContact CG2-CG2 4.14Å; V36-F38 PolarHBondContact O-N 2.98Å; V36-V53 PolarHBondContact N-O 3.06Å; V36-V53 PolarHBondContact O-N 3.39Å; V36-F105 HydrophobicContact CB-CD1 4.34Å; V36-F105 HydrophobicContact CB-CE1 3.58Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.41Å; V36-F105 VanDerWaalsContact CB-CZ 3.41Å; V36-F105 HydrophobicContact CG1-CD1 4.02Å; V36-F105 HydrophobicContact CG1-CD2 4.31Å; V36-F105 HydrophobicContact CG1-CE1 3.76Å; V36-F105 HydrophobicContact CG1-CE2 4.08Å; V36-F105 HydrophobicContact CG1-CG 4.28Å; V36-F105 HydrophobicContact CG1-CZ 3.78Å; V36-F105 HydrophobicContact CG2-CE1 4.12Å; V36-F105 HydrophobicContact CG2-CE2 3.77Å; V36-F105 HydrophobicContact CG2-CZ 3.4Å; V36-F105 VanDerWaalsContact CG2-CZ 3.4Å
37	K	98	Very high	97.2	Very high	59 Å²	59	52.6 Å²	52.6	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.3	172.9	-170.6	174.8	164.7	-159.2	0	109.8	E24 F39 I50 W51	E24-K37 HydrophobicContact CB-CB 4.03Å; E24-K37 PolarHBondContact O-N 3.27Å; E24-K37 WeakPolarHBondContact OE1-CD 3.36Å; E24-K37 IonicContact OE1-NZ 2.77Å; E24-K37 PolarHBondContact OE1-NZ 2.75Å; E24-K37 IonicContact OE2-NZ 3.44Å; E24-K37 PolarHBondContact OE2-NZ 3.04Å; K37-F39 HydrophobicContact CD-CZ 4.39Å; K37-F39 HydrophobicContact CG-CE2 4.45Å; K37-I50 HydrophobicContact CD-CG2 4.23Å; K37-I50 HydrophobicContact CG-CG2 3.72Å; K37-W51 WeakPolarHBondContact CA-O 3.49Å
38	F	98.5	Very high	97.2	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129	-174.5	176.9	-106.5	0	0	0	110.4	V36 I50 W51 V53 F70 F105 L109 P110 L113	V36-F38 PolarHBondContact O-N 2.98Å; F38-I50 WeakPolarHBondContact O-CA 3.43Å; F38-W51 HydrophobicContact CD1-CE3 4.25Å; F38-W51 PolarHBondContact N-O 3.43Å; F38-W51 PolarHBondContact O-N 3.01Å; F38-V53 HydrophobicContact CB-CG2 3.66Å; F38-V53 HydrophobicContact CD1-CG2 4.39Å; F38-V53 HydrophobicContact CG-CG2 4.26Å; F38-F70 HydrophobicContact CD1-CE1 4.18Å; F38-F70 HydrophobicContact CD1-CZ 4.47Å; F38-F105 HydrophobicContact CB-CD1 4.49Å; F38-F105 HydrophobicContact CD2-CD1 4.04Å; F38-L109 HydrophobicContact CD2-CD1 4.37Å; F38-L109 HydrophobicContact CE1-CB 4.28Å; F38-L109 HydrophobicContact CE2-CB 3.91Å; F38-L109 HydrophobicContact CE2-CD1 4.43Å; F38-L109 HydrophobicContact CG-CD1 4.49Å; F38-L109 HydrophobicContact CZ-CB 3.7Å; F38-P110 HydrophobicContact CE2-CG 4.13Å; F38-P110 HydrophobicContact CZ-CG 4.25Å; F38-L113 HydrophobicContact CE1-CD2 3.85Å; F38-L113 HydrophobicContact CZ-CD2 4.45Å
39	F	98.4	Very high	97.4	Very high	109 Å²	109	48.4 Å²	48.4	48%	0.478	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.7	176.8	-63.8	-90.5	0	0	0	109.7	K37 G49 I50	K37-F39 HydrophobicContact CD-CZ 4.39Å; K37-F39 HydrophobicContact CG-CE2 4.45Å; F39-G49 WeakPolarHBondContact CA-O 3.43Å; F39-I50 HydrophobicContact CD1-CD1 4.35Å; F39-I50 HydrophobicContact CD1-CG1 3.88Å; F39-I50 HydrophobicContact CE1-CD1 3.92Å; F39-I50 HydrophobicContact CE1-CG1 3.92Å; F39-I50 HydrophobicContact CE1-CG2 4.38Å
40	G	98.5	Very high	97.7	Very high	10 Å²	10	45.4 Å²	45.4	10%	0.103	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.1	135.6	176.2	0	0	0	0	0	111.8	Y46 G49	G40-Y46 WeakPolarHBondContact CA-O 3.22Å; G40-G49 PolarHBondContact N-O 3.44Å
41	P	98.4	Very high	98	Very high	15 Å²	15	44.6 Å²	44.6	10%	0.097	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64	143.4	-177.3	24.6	-32.3	0	0	0	111.5	T44 P110 L113	P41-T44 HydrophobicContact CB-CG2 4.09Å; P41-T44 HydrophobicContact CG-CG2 3.74Å; P41-T44 PolarHBondContact O-OG1 3.5Å; P41-P110 HydrophobicContact CB-CB 4.16Å; P41-L113 HydrophobicContact CG-CB 3.93Å; P41-L113 HydrophobicContact CG-CD2 4.26Å
42	P	97.4	Very high	98.1	Very high	90 Å²	90	43.1 Å²	43.1	58%	0.584	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	159.1	176.5	30.6	-36.3	0	0	0	111	T44	P42-T44 PolarHBondContact O-N 2.77Å; P42-T44 VanDerWaalsContact O-N 3.17Å
43	E	96.4	Very high	98.2	Very high	190 Å²	190	39.3 Å²	39.3	89%	0.888	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	21.4	179.6	-51.4	-176.3	125.5	0	0	113.3	E47	E43-E47 PolarHBondContact N-OE2 3.17Å
44	T	98.2	Very high	98.2	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.129	22%	0.219	C	C	.	.	S	Bend	trans	-124.7	163	173.7	77.9	0	0	0	0	110.8	P41 P42 Y46 E47 A114	P41-T44 HydrophobicContact CB-CG2 4.09Å; P41-T44 HydrophobicContact CG-CG2 3.74Å; P41-T44 PolarHBondContact O-OG1 3.5Å; P42-T44 PolarHBondContact O-N 2.77Å; P42-T44 VanDerWaalsContact O-N 3.17Å; T44-Y46 PolarHBondContact O-N 3.3Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 WeakPolarHBondContact OG1-CB 3.23Å; T44-Y46 PolarHBondContact OG1-N 2.86Å; T44-E47 WeakPolarHBondContact O-CB 3.37Å; T44-E47 PolarHBondContact O-N 2.94Å; T44-E47 VanDerWaalsContact O-N 3.14Å; T44-A114 HydrophobicContact CG2-CB 3.95Å
45	P	98.3	Very high	98.3	Very high	29 Å²	29	41.1 Å²	41.1	19%	0.188	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.5	173.4	-24.4	37.8	0	0	0	113.9	V138 V141	P45-V138 HydrophobicContact CB-CG1 4.25Å; P45-V138 HydrophobicContact CB-CG2 4.45Å; P45-V138 HydrophobicContact CG-CB 4.42Å; P45-V138 HydrophobicContact CG-CG1 4.31Å; P45-V138 HydrophobicContact CG-CG2 3.8Å; P45-V141 HydrophobicContact CB-CB 3.89Å; P45-V141 HydrophobicContact CB-CG1 3.76Å; P45-V141 HydrophobicContact CB-CG2 4.46Å
46	Y	98.7	Very high	98.3	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.1	-179.7	-57.4	-83.3	0	0	0	113.3	G40 T44 G48 G49 W51 I74 F75 H76 L113 Y137 V141	G40-Y46 WeakPolarHBondContact CA-O 3.22Å; T44-Y46 PolarHBondContact O-N 3.3Å; T44-Y46 VanDerWaalsContact O-N 3.08Å; T44-Y46 WeakPolarHBondContact OG1-CB 3.23Å; T44-Y46 PolarHBondContact OG1-N 2.86Å; Y46-G48 PolarHBondContact O-N 2.92Å; Y46-G49 PolarHBondContact O-N 3.43Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.21Å; Y46-W51 HydrophobicContact CG-CH2 4.38Å; Y46-I74 HydrophobicContact CD1-CD1 4.08Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.94Å; Y46-I74 HydrophobicContact CE1-CG1 3.89Å; Y46-F75 PolarHBondContact OH-O 2.84Å; Y46-H76 AromaticContact CZ-CD2 3.78Å; Y46-H76 PolarHBondContact OH-CD2 3.42Å; Y46-L113 HydrophobicContact CD1-CD2 4Å; Y46-L113 HydrophobicContact CD1-CG 4.2Å; Y46-L113 HydrophobicContact CD2-CB 3.75Å; Y46-L113 HydrophobicContact CD2-CD2 4.08Å; Y46-L113 HydrophobicContact CD2-CG 3.87Å; Y46-L113 HydrophobicContact CE1-CG 4.34Å; Y46-L113 HydrophobicContact CE2-CB 4Å; Y46-L113 HydrophobicContact CE2-CG 4.05Å; Y46-L113 WeakPolarHBondContact CE2-O 3.42Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.72Å; Y46-L113 HydrophobicContact CG-CG 3.97Å; Y46-Y137 PolarHBondContact OH-OH 2.86Å; Y46-V141 HydrophobicContact CD1-CG1 3.54Å; Y46-V141 HydrophobicContact CD2-CG1 4.44Å; Y46-V141 HydrophobicContact CE1-CG1 3.49Å; Y46-V141 VanDerWaalsContact CE1-CG1 3.49Å; Y46-V141 HydrophobicContact CE1-CG2 4.33Å; Y46-V141 HydrophobicContact CE2-CG1 4.38Å; Y46-V141 HydrophobicContact CG-CG1 4.02Å
47	E	98.3	Very high	98.3	Very high	113 Å²	113	41.6 Å²	41.6	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	135.3	-178	-176.5	175.8	167.3	0	0	112	E43 T44 G49	E43-E47 PolarHBondContact N-OE2 3.17Å; T44-E47 WeakPolarHBondContact O-CB 3.37Å; T44-E47 PolarHBondContact O-N 2.94Å; T44-E47 VanDerWaalsContact O-N 3.14Å; E47-G49 PolarHBondContact O-N 3.23Å
48	G	97.6	Very high	98.2	Very high	61 Å²	61	40.8 Å²	40.8	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-10.2	-176.6	0	0	0	0	0	114.8	Y46	Y46-G48 PolarHBondContact O-N 2.92Å
49	G	98.6	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.			trans	-74	150.3	172.3	0	0	0	0	0	113.1	F39 G40 Y46 E47 A149	F39-G49 WeakPolarHBondContact CA-O 3.43Å; G40-G49 PolarHBondContact N-O 3.44Å; Y46-G49 PolarHBondContact O-N 3.43Å; E47-G49 PolarHBondContact O-N 3.23Å; G49-A149 CarbonylContact C-O 3.32Å; G49-A149 WeakPolarHBondContact CA-O 3.4Å
50	I	98.6	Very high	98	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.046	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.2	178.6	-49.5	176.4	0	0	0	108.2	K37 F38 F39 N72 A149 E151 L154	K37-I50 HydrophobicContact CD-CG2 4.23Å; K37-I50 HydrophobicContact CG-CG2 3.72Å; F38-I50 WeakPolarHBondContact O-CA 3.43Å; F39-I50 HydrophobicContact CD1-CD1 4.35Å; F39-I50 HydrophobicContact CD1-CG1 3.88Å; F39-I50 HydrophobicContact CE1-CD1 3.92Å; F39-I50 HydrophobicContact CE1-CG1 3.92Å; F39-I50 HydrophobicContact CE1-CG2 4.38Å; I50-N72 PolarHBondContact O-ND2 3.16Å; I50-A149 PolarHBondContact N-O 2.94Å; I50-A149 WeakPolarHBondContact O-CA 3.48Å; I50-A149 WeakPolarHBondContact O-CB 3.13Å; I50-E151 HydrophobicContact CD1-CG 3.48Å; I50-E151 VanDerWaalsContact CD1-CG 3.48Å; I50-L154 HydrophobicContact CB-CD1 3.81Å; I50-L154 HydrophobicContact CG2-CD1 3.56Å
51	W	98.8	Very high	97.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144	178.7	-67.8	-88.4	0	0	0	112.5	K37 F38 Y46 V53 F70 N72 K73 I74 V145 A149	K37-W51 WeakPolarHBondContact CA-O 3.49Å; F38-W51 HydrophobicContact CD1-CE3 4.25Å; F38-W51 PolarHBondContact N-O 3.43Å; F38-W51 PolarHBondContact O-N 3.01Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.21Å; Y46-W51 HydrophobicContact CG-CH2 4.38Å; W51-V53 HydrophobicContact CB-CG2 4.18Å; W51-F70 HydrophobicContact CB-CD1 3.59Å; W51-F70 HydrophobicContact CB-CE1 3.84Å; W51-F70 AromaticContact CD1-CD1 3.57Å; W51-F70 HydrophobicContact CD2-CD1 4.21Å; W51-F70 HydrophobicContact CD2-CE1 4.13Å; W51-F70 AromaticContact CG-CD1 3.5Å; W51-F70 HydrophobicContact CG-CD1 3.5Å; W51-F70 VanDerWaalsContact CG-CD1 3.5Å; W51-F70 AromaticContact CG-CE1 3.79Å; W51-F70 HydrophobicContact CG-CE1 3.79Å; W51-N72 WeakPolarHBondContact CA-OD1 3.35Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; W51-K73 PolarHBondContact NE1-O 3.35Å; W51-K73 VanDerWaalsContact NE1-O 3.08Å; W51-I74 HydrophobicContact CD2-CD1 4.46Å; W51-I74 HydrophobicContact CZ2-CD1 4.02Å; W51-I74 HydrophobicContact CZ2-CG1 4.09Å; W51-V145 HydrophobicContact CH2-CG2 3.83Å; W51-V145 HydrophobicContact CZ2-CG2 3.97Å; W51-A149 HydrophobicContact CD2-CB 4.06Å; W51-A149 HydrophobicContact CG-CB 4.46Å; W51-A149 HydrophobicContact CH2-CB 4.38Å; W51-A149 HydrophobicContact CZ2-CB 3.72Å
52	K	98.3	Very high	97.9	Very high	28 Å²	28	52.1 Å²	52.1	12%	0.122	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109	163.2	-67.5	175.7	-174.6	-179.9	0	107.3	M35 M71 N72 L154 E158	M35-K52 HydrophobicContact CE-CD 4.35Å; M35-K52 HydrophobicContact CG-CB 4.02Å; M35-K52 HydrophobicContact SD-CB 3.79Å; M35-K52 HydrophobicContact SD-CD 3.81Å; M35-K52 HydrophobicContact SD-CG 3.71Å; K52-M71 HydrophobicContact CB-CB 4Å; K52-M71 HydrophobicContact CB-CG 4.28Å; K52-M71 WeakPolarHBondContact O-CB 3.31Å; K52-M71 WeakPolarHBondContact O-CG 3.4Å; K52-M71 PolarHBondContact O-N 2.76Å; K52-N72 PolarHBondContact N-OD1 2.83Å; K52-L154 HydrophobicContact CD-CD2 4.49Å; K52-L154 HydrophobicContact CG-CD2 4.43Å; K52-E158 VanDerWaalsContact CE-OE1 3.25Å; K52-E158 WeakPolarHBondContact CE-OE1 3.45Å; K52-E158 IonicContact NZ-OE1 3.25Å; K52-E158 PolarHBondContact NZ-OE1 3.29Å
53	V	98.8	Very high	97.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	-178.6	179.1	0	0	0	0	109.2	M35 V36 F38 W51 V55 I68 G69 F70 F105 L109	M35-V53 CarbonylContact C-O 3.15Å; M35-V53 WeakPolarHBondContact CA-O 3.5Å; V36-V53 PolarHBondContact N-O 3.06Å; V36-V53 PolarHBondContact O-N 3.39Å; F38-V53 HydrophobicContact CB-CG2 3.66Å; F38-V53 HydrophobicContact CD1-CG2 4.39Å; F38-V53 HydrophobicContact CG-CG2 4.26Å; W51-V53 HydrophobicContact CB-CG2 4.18Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V53-I68 HydrophobicContact CG1-CG2 3.53Å; V53-G69 CarbonylContact C-O 3.53Å; V53-G69 WeakPolarHBondContact CA-O 3.42Å; V53-F70 HydrophobicContact CG2-CD1 3.95Å; V53-F70 HydrophobicContact CG2-CE1 3.78Å; V53-F70 HydrophobicContact CG2-CG 4.41Å; V53-F70 HydrophobicContact CG2-CZ 4.08Å; V53-F105 HydrophobicContact CB-CE1 4.01Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V53-F105 HydrophobicContact CG1-CZ 4.47Å; V53-L109 HydrophobicContact CG1-CD1 4.17Å; V53-L109 HydrophobicContact CG2-CD1 4.47Å
54	R	98.5	Very high	97.9	Very high	80 Å²	80	52.1 Å²	52.1	30%	0.302	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.9	172.5	179.1	179.7	166	152.2	9.6	110.2	E33 L34 D56 I68 G69 M71	E33-R54 IonicContact OE1-CZ 2.82Å; E33-R54 IonicContact OE1-NE 3.57Å; E33-R54 IonicContact OE1-NH1 3.54Å; E33-R54 PolarHBondContact OE1-NH1 3.13Å; E33-R54 IonicContact OE1-NH2 3.92Å; E33-R54 PolarHBondContact OE1-NH2 2.93Å; L34-R54 CarbonylContact O-C 3.53Å; L34-R54 VanDerWaalsContact O-CA 3.3Å; L34-R54 WeakPolarHBondContact O-CA 3.26Å; R54-D56 IonicContact CZ-OD1 2.94Å; R54-D56 IonicContact CZ-OD2 3.39Å; R54-D56 IonicContact NE-OD1 2.84Å; R54-D56 PolarHBondContact NE-OD1 2.95Å; R54-D56 IonicContact NE-OD2 2.76Å; R54-D56 PolarHBondContact NE-OD2 3.15Å; R54-D56 IonicContact NH2-OD1 3.23Å; R54-D56 PolarHBondContact NH2-OD1 2.73Å; R54-D56 IonicContact NH2-OD2 3.68Å; R54-I68 WeakPolarHBondContact O-CA 3.3Å; R54-G69 PolarHBondContact N-O 2.99Å; R54-G69 PolarHBondContact O-N 3.17Å; R54-M71 HydrophobicContact CB-CE 3.73Å; R54-M71 HydrophobicContact CB-CG 4.02Å; R54-M71 HydrophobicContact CB-SD 3.68Å; R54-M71 HydrophobicContact CG-SD 4.38Å
55	V	98.6	Very high	97.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.5	174.8	-178.5	0	0	0	0	109.2	L34 V53 L57 P66 S67 L101 F105	L34-V55 PolarHBondContact N-O 3.21Å; L34-V55 PolarHBondContact O-N 3Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V55-L57 HydrophobicContact CG1-CD2 3.91Å; V55-P66 HydrophobicContact CG1-CB 3.81Å; V55-S67 WeakPolarHBondContact CA-O 3.28Å; V55-L101 HydrophobicContact CG1-CD1 4.46Å; V55-F105 HydrophobicContact CG2-CE2 4.33Å; V55-F105 HydrophobicContact CG2-CZ 3.64Å
56	D	98.5	Very high	97.9	Very high	44 Å²	44	50.1 Å²	50.1	24%	0.235	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.7	175	-63.8	-88.5	0	0	0	110.1	N32 R54 P66 S67	N32-D56 CarbonylContact O-C 3.55Å; N32-D56 WeakPolarHBondContact O-CA 3.39Å; R54-D56 IonicContact CZ-OD1 2.94Å; R54-D56 IonicContact CZ-OD2 3.39Å; R54-D56 IonicContact NE-OD1 2.84Å; R54-D56 PolarHBondContact NE-OD1 2.95Å; R54-D56 IonicContact NE-OD2 2.76Å; R54-D56 PolarHBondContact NE-OD2 3.15Å; R54-D56 IonicContact NH2-OD1 3.23Å; R54-D56 PolarHBondContact NH2-OD1 2.73Å; R54-D56 IonicContact NH2-OD2 3.68Å; D56-P66 CarbonylContact O-C 3.52Å; D56-P66 VanDerWaalsContact O-CA 3.26Å; D56-P66 WeakPolarHBondContact O-CA 3.48Å; D56-S67 PolarHBondContact N-O 3.33Å; D56-S67 PolarHBondContact O-N 3.09Å
57	L	98.2	Very high	97.9	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	26%	0.262	C	S	.	.			trans	-94	119.1	177.7	-52.5	-177.4	0	0	0	109.4	M11 V15 N32 V55 Y61 P66 L101	M11-L57 HydrophobicContact CG-CD1 3.65Å; M11-L57 HydrophobicContact SD-CB 4.03Å; M11-L57 HydrophobicContact SD-CD1 4.11Å; V15-L57 HydrophobicContact CG2-CD1 3.52Å; N32-L57 HydrophobicContact CB-CB 4.22Å; N32-L57 PolarHBondContact O-N 3.49Å; V55-L57 HydrophobicContact CG1-CD2 3.91Å; L57-Y61 HydrophobicContact CB-CD2 4.35Å; L57-Y61 HydrophobicContact CD2-CD2 4Å; L57-Y61 HydrophobicContact CD2-CE2 3.91Å; L57-P66 HydrophobicContact CD2-CB 3.83Å; L57-P66 HydrophobicContact CD2-CG 3.61Å; L57-L101 HydrophobicContact CD1-CD2 4.36Å; L57-L101 HydrophobicContact CD2-CD1 3.96Å
58	P	97.4	Very high	97.9	Very high	42 Å²	42	47.7 Å²	47.7	27%	0.273	24%	0.238	S	C	.	.			trans	-73.1	161.3	-178.1	31.2	-37.1	0	0	0	111.8	R60 Y61 K64 S65	P58-R60 PolarHBondContact O-N 3.02Å; P58-Y61 WeakPolarHBondContact O-CB 3.06Å; P58-Y61 PolarHBondContact O-N 2.85Å; P58-K64 HydrophobicContact CB-CB 4.24Å; P58-K64 HydrophobicContact CG-CB 3.56Å; P58-S65 WeakPolarHBondContact CD-O 3.48Å; P58-S65 WeakPolarHBondContact CG-O 3.24Å
59	E	95.5	Very high	98	Very high	201 Å²	201	45.1 Å²	45.1	94%	0.939	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.3	177.7	-171.4	-176.7	-177.6	0	0	113.3	Y61	E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.41Å
60	R	96.1	Very high	98	Very high	166 Å²	166	45.2 Å²	45.2	63%	0.626	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	16.8	178.4	-64.6	-165.4	-69.9	-173.7	-7	114.1	P58 F63 K64	P58-R60 PolarHBondContact O-N 3.02Å; R60-F63 WeakPolarHBondContact O-CB 3.41Å; R60-F63 PolarHBondContact O-N 3.38Å; R60-K64 HydrophobicContact CB-CB 4.18Å; R60-K64 HydrophobicContact CB-CG 3.86Å; R60-K64 PolarHBondContact O-N 3.21Å; R60-K64 VanDerWaalsContact O-N 3.1Å
61	Y	97.8	Very high	97.9	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.012	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	139.2	173	-177.4	-90.1	0	0	0	111.4	G7 R10 M11 D14 L57 P58 E59 P66 W95	G7-Y61 WeakPolarHBondContact CA-O 3.38Å; R10-Y61 HydrophobicContact CG-CE1 4.12Å; M11-Y61 HydrophobicContact CB-CD1 3.73Å; M11-Y61 HydrophobicContact CB-CE1 4.16Å; M11-Y61 HydrophobicContact CG-CD1 4.41Å; D14-Y61 HydrophobicContact CB-CE1 4.46Å; D14-Y61 WeakPolarHBondContact OD2-CE1 3.19Å; D14-Y61 PolarHBondContact OD2-OH 3.47Å; L57-Y61 HydrophobicContact CB-CD2 4.35Å; L57-Y61 HydrophobicContact CD2-CD2 4Å; L57-Y61 HydrophobicContact CD2-CE2 3.91Å; P58-Y61 WeakPolarHBondContact O-CB 3.06Å; P58-Y61 PolarHBondContact O-N 2.85Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.41Å; Y61-P66 HydrophobicContact CD2-CG 4.45Å; Y61-P66 HydrophobicContact CE2-CG 4.11Å; Y61-W95 HydrophobicContact CD2-CZ2 4.18Å; Y61-W95 AromaticContact CE2-CH2 3.64Å; Y61-W95 HydrophobicContact CE2-CH2 3.64Å; Y61-W95 AromaticContact CE2-CZ2 3.45Å; Y61-W95 HydrophobicContact CE2-CZ2 3.45Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.45Å
62	P	97.1	Very high	97.9	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.052	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.7	6.2	1.3	39.5	-39.8	0	0	0	114.3	R10 K64 W95 A97	R10-P62 HydrophobicContact CG-CG 4.05Å; P62-K64 VanDerWaalsContact C-N 3.25Å; P62-K64 PolarHBondContact O-N 3.14Å; P62-W95 HydrophobicContact CB-CZ2 4.23Å; P62-W95 PolarHBondContact O-NE1 3.08Å; P62-A97 HydrophobicContact CG-CB 4.08Å; P62-A97 WeakPolarHBondContact CG-O 3.33Å
63	F	96.7	Very high	97.9	Very high	171 Å²	171	51.8 Å²	51.8	75%	0.75	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22	-179.8	-59.6	-73.3	0	0	0	113	R60 A97	R60-F63 WeakPolarHBondContact O-CB 3.41Å; R60-F63 PolarHBondContact O-N 3.38Å; F63-A97 HydrophobicContact CD1-CB 4Å; F63-A97 HydrophobicContact CE1-CB 4.19Å
64	K	97.6	Very high	97.9	Very high	108 Å²	108	51.9 Å²	51.9	47%	0.47	24%	0.243	S	C	.	.	S	Bend	trans	-106.6	136	163	-74.2	-68.6	-176.2	179.8	0	109	P58 R60 P62	P58-K64 HydrophobicContact CB-CB 4.24Å; P58-K64 HydrophobicContact CG-CB 3.56Å; R60-K64 HydrophobicContact CB-CB 4.18Å; R60-K64 HydrophobicContact CB-CG 3.86Å; R60-K64 PolarHBondContact O-N 3.21Å; R60-K64 VanDerWaalsContact O-N 3.1Å; P62-K64 VanDerWaalsContact C-N 3.25Å; P62-K64 PolarHBondContact O-N 3.14Å
65	S	98.1	Very high	97.9	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.063	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.2	154.6	178.8	67.2	0	0	0	0	111.3	P58 N92 W95	P58-S65 WeakPolarHBondContact CD-O 3.48Å; P58-S65 WeakPolarHBondContact CG-O 3.24Å; S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 2.88Å; S65-N92 VanDerWaalsContact OG-OD1 3.09Å; S65-W95 VanDerWaalsContact CA-CD1 3.49Å
66	P	98.5	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-57.2	154.7	162.7	-23.4	35.8	0	0	0	111.5	V55 D56 L57 Y61 W95 L101 I104	V55-P66 HydrophobicContact CG1-CB 3.81Å; D56-P66 CarbonylContact O-C 3.52Å; D56-P66 VanDerWaalsContact O-CA 3.26Å; D56-P66 WeakPolarHBondContact O-CA 3.48Å; L57-P66 HydrophobicContact CD2-CB 3.83Å; L57-P66 HydrophobicContact CD2-CG 3.61Å; Y61-P66 HydrophobicContact CD2-CG 4.45Å; Y61-P66 HydrophobicContact CE2-CG 4.11Å; P66-W95 HydrophobicContact CG-CE3 4.39Å; P66-W95 HydrophobicContact CG-CH2 3.81Å; P66-W95 HydrophobicContact CG-CZ2 4.18Å; P66-W95 HydrophobicContact CG-CZ3 3.9Å; P66-L101 HydrophobicContact CG-CD1 4.09Å; P66-I104 HydrophobicContact CB-CD1 4.34Å; P66-I104 HydrophobicContact CG-CD1 4.02Å
67	S	98.5	Very high	97.9	Very high	58 Å²	58	46.3 Å²	46.3	41%	0.406	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.7	159.8	-53.5	0	0	0	0	108.3	V55 D56	V55-S67 WeakPolarHBondContact CA-O 3.28Å; D56-S67 PolarHBondContact N-O 3.33Å; D56-S67 PolarHBondContact O-N 3.09Å
68	I	98.8	Very high	97.9	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132	-176.7	-55.5	168.2	0	0	0	108.3	V53 R54 V86 I91 I104 F108 L109	V53-I68 HydrophobicContact CG1-CG2 3.53Å; R54-I68 WeakPolarHBondContact O-CA 3.3Å; I68-V86 HydrophobicContact CB-CB 4.2Å; I68-V86 HydrophobicContact CB-CG2 3.99Å; I68-V86 HydrophobicContact CG2-CG2 3.81Å; I68-V86 PolarHBondContact O-N 3.02Å; I68-I91 HydrophobicContact CB-CD1 4.15Å; I68-I91 HydrophobicContact CD1-CD1 3.96Å; I68-I91 HydrophobicContact CD1-CG1 4.19Å; I68-I91 HydrophobicContact CG1-CD1 4.03Å; I68-I104 HydrophobicContact CD1-CD1 4.14Å; I68-I104 HydrophobicContact CD1-CG2 3.67Å; I68-I104 HydrophobicContact CG1-CG2 4.5Å; I68-F108 HydrophobicContact CD1-CD1 4.11Å; I68-F108 HydrophobicContact CD1-CE1 3.8Å; I68-L109 HydrophobicContact CG2-CD2 4.41Å
69	G	98.6	Very high	98	Very high	7 Å²	7	44 Å²	44	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.8	178.4	0	0	0	0	0	112.6	V53 R54 G84	V53-G69 CarbonylContact C-O 3.53Å; V53-G69 WeakPolarHBondContact CA-O 3.42Å; R54-G69 PolarHBondContact N-O 2.99Å; R54-G69 PolarHBondContact O-N 3.17Å; G69-G84 CarbonylContact C-O 3.56Å; G69-G84 VanDerWaalsContact CA-O 3.31Å; G69-G84 WeakPolarHBondContact CA-O 3.32Å
70	F	98.7	Very high	98.1	Very high	3 Å²	3	37 Å²	37	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.1	171.6	-75.6	-104.4	0	0	0	109.3	F38 W51 V53 I74 I79 G84 V86 L109 L113	F38-F70 HydrophobicContact CD1-CE1 4.18Å; F38-F70 HydrophobicContact CD1-CZ 4.47Å; W51-F70 HydrophobicContact CB-CD1 3.59Å; W51-F70 HydrophobicContact CB-CE1 3.84Å; W51-F70 AromaticContact CD1-CD1 3.57Å; W51-F70 HydrophobicContact CD2-CD1 4.21Å; W51-F70 HydrophobicContact CD2-CE1 4.13Å; W51-F70 AromaticContact CG-CD1 3.5Å; W51-F70 HydrophobicContact CG-CD1 3.5Å; W51-F70 VanDerWaalsContact CG-CD1 3.5Å; W51-F70 AromaticContact CG-CE1 3.79Å; W51-F70 HydrophobicContact CG-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CD1 3.95Å; V53-F70 HydrophobicContact CG2-CE1 3.78Å; V53-F70 HydrophobicContact CG2-CG 4.41Å; V53-F70 HydrophobicContact CG2-CZ 4.08Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.3Å; F70-I74 HydrophobicContact CD1-CD1 3.94Å; F70-I74 HydrophobicContact CD1-CG2 4.07Å; F70-I74 HydrophobicContact CD2-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 3.68Å; F70-I74 HydrophobicContact CG-CB 4.48Å; F70-I74 HydrophobicContact CG-CG2 3.76Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; F70-I79 HydrophobicContact CD2-CD1 3.83Å; F70-I79 HydrophobicContact CD2-CG2 4.29Å; F70-I79 HydrophobicContact CE2-CD1 3.57Å; F70-I79 HydrophobicContact CZ-CD1 4.19Å; F70-G84 PolarHBondContact N-O 3.14Å; F70-G84 WeakPolarHBondContact O-CA 3.38Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; F70-L109 HydrophobicContact CE2-CD2 4.06Å; F70-L109 HydrophobicContact CZ-CD1 4.45Å; F70-L109 HydrophobicContact CZ-CD2 4.15Å; F70-L113 HydrophobicContact CZ-CD1 4.4Å
71	M	97.7	Very high	98.2	Very high	91 Å²	91	31.5 Å²	31.5	45%	0.448	16%	0.155	S	C	.	.	S	Bend	trans	-77.1	-39.8	-175.6	-59	-72.7	81.3	0	0	112.2	K52 R54	K52-M71 HydrophobicContact CB-CB 4Å; K52-M71 HydrophobicContact CB-CG 4.28Å; K52-M71 WeakPolarHBondContact O-CB 3.31Å; K52-M71 WeakPolarHBondContact O-CG 3.4Å; K52-M71 PolarHBondContact O-N 2.76Å; R54-M71 HydrophobicContact CB-CE 3.73Å; R54-M71 HydrophobicContact CB-CG 4.02Å; R54-M71 HydrophobicContact CB-SD 3.68Å; R54-M71 HydrophobicContact CG-SD 4.38Å
72	N	97.9	Very high	98.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	19%	0.19	C	C	.	.	S	Bend	trans	-93.3	151.5	167.6	61.6	-55.6	0	0	0	110.4	I50 W51 K52 F148 L154	I50-N72 PolarHBondContact O-ND2 3.16Å; W51-N72 WeakPolarHBondContact CA-OD1 3.35Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; K52-N72 PolarHBondContact N-OD1 2.83Å; N72-F148 PolarHBondContact ND2-O 2.79Å; N72-L154 HydrophobicContact CB-CD2 4.15Å
73	K	98.3	Very high	98.2	Very high	83 Å²	83	38.2 Å²	38.2	36%	0.361	21%	0.208	S	C	.	.			trans	-59.7	141.8	-169	-72.5	-178	170.2	-71.7	0	113.4	W51 E81 Y144 F148	W51-K73 PolarHBondContact NE1-O 3.35Å; W51-K73 VanDerWaalsContact NE1-O 3.08Å; K73-E81 PolarHBondContact NZ-O 3.11Å; K73-Y144 HydrophobicContact CB-CD1 4.44Å; K73-F148 HydrophobicContact CB-CB 3.94Å; K73-F148 HydrophobicContact CB-CD1 4.33Å; K73-F148 HydrophobicContact CB-CD2 3.82Å; K73-F148 HydrophobicContact CB-CE2 4.41Å; K73-F148 HydrophobicContact CB-CG 3.78Å; K73-F148 HydrophobicContact CD-CD1 4.19Å; K73-F148 HydrophobicContact CD-CD2 4.33Å; K73-F148 HydrophobicContact CD-CE1 4Å; K73-F148 HydrophobicContact CD-CE2 4.14Å; K73-F148 HydrophobicContact CD-CG 4.36Å; K73-F148 HydrophobicContact CD-CZ 3.97Å
74	I	98.7	Very high	98.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	17%	0.174	C	C	.	.			trans	-137.6	144	171.9	-172.1	166.1	0	0	0	109.2	Y46 W51 F70 H76 I79 L113	Y46-I74 HydrophobicContact CD1-CD1 4.08Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.94Å; Y46-I74 HydrophobicContact CE1-CG1 3.89Å; W51-I74 HydrophobicContact CD2-CD1 4.46Å; W51-I74 HydrophobicContact CZ2-CD1 4.02Å; W51-I74 HydrophobicContact CZ2-CG1 4.09Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.3Å; F70-I74 HydrophobicContact CD1-CD1 3.94Å; F70-I74 HydrophobicContact CD1-CG2 4.07Å; F70-I74 HydrophobicContact CD2-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 3.68Å; F70-I74 HydrophobicContact CG-CB 4.48Å; F70-I74 HydrophobicContact CG-CG2 3.76Å; F70-I74 HydrophobicContact CZ-CD1 4.07Å; I74-H76 HydrophobicContact CG1-CB 4.4Å; I74-I79 HydrophobicContact CD1-CD1 4.02Å; I74-I79 HydrophobicContact CG2-CB 4.22Å; I74-I79 HydrophobicContact CG2-CD1 3.91Å; I74-I79 HydrophobicContact CG2-CG2 3.66Å; I74-L113 HydrophobicContact CD1-CD1 4.45Å; I74-L113 HydrophobicContact CD1-CD2 4.32Å; I74-L113 HydrophobicContact CD1-CG 4.48Å
75	F	98.7	Very high	98.4	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	17%	0.171	C	C	.	.			trans	-107.8	100.8	177.2	-169.7	-105.6	0	0	0	109.3	Y46 E81 D125 A126 L129 Y137 K140 V141 Y144	Y46-F75 PolarHBondContact OH-O 2.84Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.3Å; F75-D125 HydrophobicContact CE2-CB 4.5Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; F75-A126 HydrophobicContact CD1-CB 3.94Å; F75-A126 HydrophobicContact CD2-CB 4.36Å; F75-A126 VanDerWaalsContact CE1-CA 3.49Å; F75-A126 HydrophobicContact CE1-CB 3.57Å; F75-A126 HydrophobicContact CE2-CB 4.01Å; F75-A126 HydrophobicContact CG-CB 4.33Å; F75-A126 HydrophobicContact CZ-CB 3.61Å; F75-L129 HydrophobicContact CE1-CD1 3.95Å; F75-L129 HydrophobicContact CZ-CD1 3.98Å; F75-Y137 HydrophobicContact CD1-CD2 4.32Å; F75-Y137 HydrophobicContact CD1-CE2 4.25Å; F75-Y137 HydrophobicContact CE1-CD2 4.09Å; F75-Y137 HydrophobicContact CE1-CE2 4.36Å; F75-K140 HydrophobicContact CD1-CB 4.33Å; F75-K140 HydrophobicContact CD1-CG 3.91Å; F75-K140 HydrophobicContact CE1-CB 4.24Å; F75-K140 HydrophobicContact CE1-CG 3.8Å; F75-K140 HydrophobicContact CG-CG 4.31Å; F75-K140 HydrophobicContact CZ-CG 4.13Å; F75-V141 HydrophobicContact CD1-CG2 4.16Å; F75-Y144 HydrophobicContact CB-CD1 3.62Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.91Å; F75-Y144 HydrophobicContact CB-CG 3.89Å; F75-Y144 HydrophobicContact CD2-CE1 4.15Å; F75-Y144 HydrophobicContact CG-CE1 4.45Å
76	H	98.7	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.			trans	-150.7	139.3	-173.9	-177.9	-79.8	0	0	0	111.3	Y46 I74 N78 I79 L112 N123	Y46-H76 AromaticContact CZ-CD2 3.78Å; Y46-H76 PolarHBondContact OH-CD2 3.42Å; I74-H76 HydrophobicContact CG1-CB 4.4Å; H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact CE1-OD1 3.44Å; H76-N78 PolarHBondContact ND1-N 3.08Å; H76-N78 PolarHBondContact O-N 3.18Å; H76-I79 HydrophobicContact CB-CB 4.09Å; H76-I79 HydrophobicContact CB-CD1 3.79Å; H76-I79 HydrophobicContact CB-CG1 3.93Å; H76-I79 PolarHBondContact O-N 2.82Å; H76-I79 VanDerWaalsContact O-N 3.13Å; H76-I79 VanDerWaalsContact O-O 3.07Å; H76-L112 PolarHBondContact NE2-O 2.74Å; H76-N123 WeakPolarHBondContact O-CB 3.34Å
77	P	98.5	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-41.6	-177.2	-30.5	37.5	0	0	0	115.4	P116 P121 L122 N123 A126 A127 F130	P77-P116 HydrophobicContact CB-CB 4.12Å; P77-P116 HydrophobicContact CG-CB 3.66Å; P77-P116 HydrophobicContact CG-CG 4.27Å; P77-P121 HydrophobicContact CB-CB 4.37Å; P77-P121 CarbonylContact O-C 3.56Å; P77-P121 WeakPolarHBondContact O-CA 3.44Å; P77-P121 WeakPolarHBondContact O-CB 3.44Å; P77-L122 PolarHBondContact O-N 3.33Å; P77-N123 PolarHBondContact O-N 3.05Å; P77-A126 HydrophobicContact CG-CB 4.19Å; P77-A127 HydrophobicContact CB-CB 4.07Å; P77-A127 HydrophobicContact CG-CB 4.46Å; P77-F130 HydrophobicContact CG-CB 4.34Å
78	N	98.6	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	16.6	-177.7	-50.8	107.7	0	0	0	114.7	H76 C87 V90 L112 N117	H76-N78 VanDerWaalsContact C-N 3.33Å; H76-N78 PolarHBondContact CE1-OD1 3.44Å; H76-N78 PolarHBondContact ND1-N 3.08Å; H76-N78 PolarHBondContact O-N 3.18Å; N78-C87 HydrophobicContact CB-CB 4.31Å; N78-C87 PolarHBondContact O-N 2.91Å; N78-V90 HydrophobicContact CB-CG2 4.27Å; N78-L112 HydrophobicContact CB-CD1 4.2Å; N78-N117 PolarHBondContact ND2-O 3.09Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.88Å
79	I	98.7	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-127.7	127.3	178.3	-53.2	177.8	0	0	0	108.1	F70 I74 H76 E81 G84 T85 V86	F70-I79 HydrophobicContact CD2-CD1 3.83Å; F70-I79 HydrophobicContact CD2-CG2 4.29Å; F70-I79 HydrophobicContact CE2-CD1 3.57Å; F70-I79 HydrophobicContact CZ-CD1 4.19Å; I74-I79 HydrophobicContact CD1-CD1 4.02Å; I74-I79 HydrophobicContact CG2-CB 4.22Å; I74-I79 HydrophobicContact CG2-CD1 3.91Å; I74-I79 HydrophobicContact CG2-CG2 3.66Å; H76-I79 HydrophobicContact CB-CB 4.09Å; H76-I79 HydrophobicContact CB-CD1 3.79Å; H76-I79 HydrophobicContact CB-CG1 3.93Å; H76-I79 PolarHBondContact O-N 2.82Å; H76-I79 VanDerWaalsContact O-N 3.13Å; H76-I79 VanDerWaalsContact O-O 3.07Å; I79-E81 PolarHBondContact O-N 2.7Å; I79-G84 VanDerWaalsContact CG2-C 3.49Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.39Å; I79-T85 WeakPolarHBondContact CA-O 3.46Å; I79-V86 HydrophobicContact CD1-CG2 4.34Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å
80	D	98.5	Very high	97.9	Very high	53 Å²	53	35.4 Å²	35.4	28%	0.283	20%	0.204	S	C	.	.			trans	-64.5	128.7	174.2	-177.6	-91.1	0	0	0	110.1	A82 S83 G84 T85 L122	D80-A82 PolarHBondContact O-N 3.32Å; D80-A82 WeakPolarHBondContact OD1-CA 3.26Å; D80-A82 WeakPolarHBondContact OD1-CB 3.4Å; D80-A82 PolarHBondContact OD1-N 2.76Å; D80-S83 PolarHBondContact OD1-N 2.97Å; D80-S83 PolarHBondContact OD1-OG 3.03Å; D80-G84 WeakPolarHBondContact O-CA 3.34Å; D80-G84 PolarHBondContact O-N 3.13Å; D80-T85 PolarHBondContact N-O 3.08Å; D80-L122 HydrophobicContact CB-CB 4.43Å; D80-L122 HydrophobicContact CB-CD1 4.32Å
81	E	98.2	Very high	97.8	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.234	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.3	-173.6	-170.7	176.2	157	0	0	113.6	K73 F75 I79 N123 Y144	K73-E81 PolarHBondContact NZ-O 3.11Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.3Å; I79-E81 PolarHBondContact O-N 2.7Å; E81-N123 PolarHBondContact OE2-ND2 3.45Å; E81-Y144 HydrophobicContact CG-CE1 4.35Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.48Å; E81-Y144 PolarHBondContact OE1-OH 3.15Å
82	A	97.3	Very high	97.7	Very high	91 Å²	91	34.9 Å²	34.9	75%	0.752	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-46.6	-177.9	0	0	0	0	0	111.1	D80	D80-A82 PolarHBondContact O-N 3.32Å; D80-A82 WeakPolarHBondContact OD1-CA 3.26Å; D80-A82 WeakPolarHBondContact OD1-CB 3.4Å; D80-A82 PolarHBondContact OD1-N 2.76Å
83	S	97.8	Very high	97.5	Very high	61 Å²	61	41.5 Å²	41.5	43%	0.427	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-17.5	-177.9	73.9	0	0	0	0	114.2	D80 T85	D80-S83 PolarHBondContact OD1-N 2.97Å; D80-S83 PolarHBondContact OD1-OG 3.03Å; S83-T85 PolarHBondContact O-N 2.9Å; S83-T85 VanDerWaalsContact OG-CB 3.3Å; S83-T85 WeakPolarHBondContact OG-CB 3.39Å; S83-T85 PolarHBondContact OG-N 3.32Å; S83-T85 VanDerWaalsContact OG-N 3.16Å; S83-T85 PolarHBondContact OG-OG1 3.16Å
84	G	98.4	Very high	97.3	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	24%	0.24	C	C	.	.			trans	72.8	7.4	-172.3	0	0	0	0	0	114.2	G69 F70 I79 D80 V86	G69-G84 CarbonylContact C-O 3.56Å; G69-G84 VanDerWaalsContact CA-O 3.31Å; G69-G84 WeakPolarHBondContact CA-O 3.32Å; F70-G84 PolarHBondContact N-O 3.14Å; F70-G84 WeakPolarHBondContact O-CA 3.38Å; I79-G84 VanDerWaalsContact CG2-C 3.49Å; I79-G84 VanDerWaalsContact CG2-O 3.24Å; I79-G84 WeakPolarHBondContact CG2-O 3.39Å; D80-G84 WeakPolarHBondContact O-CA 3.34Å; D80-G84 PolarHBondContact O-N 3.13Å; G84-V86 PolarHBondContact O-N 3.39Å
85	T	98.5	Very high	97.3	Very high	65 Å²	65	43.9 Å²	43.9	40%	0.399	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-69.3	128.4	-175.3	-56.6	0	0	0	0	111.3	I79 D80 S83 L122	I79-T85 WeakPolarHBondContact CA-O 3.46Å; D80-T85 PolarHBondContact N-O 3.08Å; S83-T85 PolarHBondContact O-N 2.9Å; S83-T85 VanDerWaalsContact OG-CB 3.3Å; S83-T85 WeakPolarHBondContact OG-CB 3.39Å; S83-T85 PolarHBondContact OG-N 3.32Å; S83-T85 VanDerWaalsContact OG-N 3.16Å; S83-T85 PolarHBondContact OG-OG1 3.16Å; T85-L122 WeakPolarHBondContact O-CD1 3.25Å
86	V	98.5	Very high	97.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-76.5	136.7	172.5	-178.5	0	0	0	0	109.5	I68 F70 I79 G84 L88 I91 F108 L112	I68-V86 HydrophobicContact CB-CB 4.2Å; I68-V86 HydrophobicContact CB-CG2 3.99Å; I68-V86 HydrophobicContact CG2-CG2 3.81Å; I68-V86 PolarHBondContact O-N 3.02Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; I79-V86 HydrophobicContact CD1-CG2 4.34Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å; G84-V86 PolarHBondContact O-N 3.39Å; V86-L88 PolarHBondContact O-N 3.31Å; V86-L88 VanDerWaalsContact O-N 3.16Å; V86-I91 HydrophobicContact CB-CD1 4.14Å; V86-I91 HydrophobicContact CG1-CD1 4.11Å; V86-I91 HydrophobicContact CG1-CG1 3.96Å; V86-F108 HydrophobicContact CG1-CE1 4.3Å; V86-F108 HydrophobicContact CG1-CZ 4.26Å; V86-L112 HydrophobicContact CG1-CD2 3.77Å
87	C	97	Very high	97.1	Very high	19 Å²	19	47.8 Å²	47.8	13%	0.128	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-53.6	120.3	178.9	-178.5	0	0	0	0	112.2	N78 D89 V90 I91 L122	N78-C87 HydrophobicContact CB-CB 4.31Å; N78-C87 PolarHBondContact O-N 2.91Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.5Å; C87-V90 HydrophobicContact CB-CB 4.2Å; C87-V90 HydrophobicContact CB-CG2 3.89Å; C87-V90 WeakPolarHBondContact O-CB 3.46Å; C87-V90 PolarHBondContact O-N 3.46Å; C87-V90 VanDerWaalsContact O-N 3.14Å; C87-I91 PolarHBondContact O-N 3.07Å; C87-I91 VanDerWaalsContact O-N 3.13Å; C87-L122 HydrophobicContact CB-CD1 3.74Å; C87-L122 HydrophobicContact CB-CG 4.04Å
88	L	95.9	Very high	97	Very high	84 Å²	84	54.9 Å²	54.9	44%	0.44	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-33.4	-176.1	-174.8	61.7	0	0	0	112.3	V86 V90 I91 N92	V86-L88 PolarHBondContact O-N 3.31Å; V86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-I91 PolarHBondContact O-N 3.36Å; L88-N92 WeakPolarHBondContact O-CB 3.2Å; L88-N92 VanDerWaalsContact O-CG 3.31Å; L88-N92 PolarHBondContact O-N 2.99Å; L88-N92 PolarHBondContact O-ND2 3.45Å; L88-N92 VanDerWaalsContact O-ND2 3.15Å
89	D	95.3	Very high	96.9	Very high	106 Å²	106	56 Å²	56	57%	0.567	32%	0.316	S	S	*	.	H	α-helix	trans	-67.9	-35.9	177.6	-69.5	-18	0	0	0	111.7	C87 N92 Q93	C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.5Å; D89-N92 PolarHBondContact O-N 2.87Å; D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.32Å; D89-Q93 PolarHBondContact O-N 2.74Å; D89-Q93 PolarHBondContact O-NE2 2.75Å
90	V	95.4	Very high	96.7	Very high	17 Å²	17	57.6 Å²	57.6	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-40.6	174.2	176.9	0	0	0	0	110.8	N78 C87 L88 Q93 F108 L112	N78-V90 HydrophobicContact CB-CG2 4.27Å; C87-V90 HydrophobicContact CB-CB 4.2Å; C87-V90 HydrophobicContact CB-CG2 3.89Å; C87-V90 WeakPolarHBondContact O-CB 3.46Å; C87-V90 PolarHBondContact O-N 3.46Å; C87-V90 VanDerWaalsContact O-N 3.14Å; L88-V90 VanDerWaalsContact C-N 3.33Å; V90-Q93 PolarHBondContact O-N 2.98Å; V90-F108 HydrophobicContact CG1-CE2 4.11Å; V90-F108 HydrophobicContact CG1-CZ 4.2Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å
91	I	96.3	Very high	96.7	Very high	7 Å²	7	55 Å²	55	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-47.6	173.3	-62.2	169.8	0	0	0	110.3	I68 V86 C87 L88 Q93 Q94 W95 F108	I68-I91 HydrophobicContact CB-CD1 4.15Å; I68-I91 HydrophobicContact CD1-CD1 3.96Å; I68-I91 HydrophobicContact CD1-CG1 4.19Å; I68-I91 HydrophobicContact CG1-CD1 4.03Å; V86-I91 HydrophobicContact CB-CD1 4.14Å; V86-I91 HydrophobicContact CG1-CD1 4.11Å; V86-I91 HydrophobicContact CG1-CG1 3.96Å; C87-I91 PolarHBondContact O-N 3.07Å; C87-I91 VanDerWaalsContact O-N 3.13Å; L88-I91 PolarHBondContact O-N 3.36Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.85Å; I91-Q94 PolarHBondContact O-N 3.27Å; I91-Q94 VanDerWaalsContact O-N 3.09Å; I91-W95 HydrophobicContact CG2-CB 4.38Å; I91-W95 WeakPolarHBondContact O-CB 3.37Å; I91-W95 PolarHBondContact O-N 3.36Å; I91-F108 HydrophobicContact CB-CZ 4.34Å; I91-F108 HydrophobicContact CG1-CE1 4.03Å; I91-F108 HydrophobicContact CG1-CZ 3.72Å
92	N	95.8	Very high	96.7	Very high	77 Å²	77	53 Å²	53	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-67.9	-22.7	-176.1	-76.7	-36.8	0	0	0	114.2	S65 L88 D89 Q94	S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 2.88Å; S65-N92 VanDerWaalsContact OG-OD1 3.09Å; L88-N92 WeakPolarHBondContact O-CB 3.2Å; L88-N92 VanDerWaalsContact O-CG 3.31Å; L88-N92 PolarHBondContact O-N 2.99Å; L88-N92 PolarHBondContact O-ND2 3.45Å; L88-N92 VanDerWaalsContact O-ND2 3.15Å; D89-N92 PolarHBondContact O-N 2.87Å; N92-Q94 VanDerWaalsContact C-N 3.25Å; N92-Q94 PolarHBondContact O-N 3.36Å
93	Q	94.8	Very high	96.7	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	28%	0.28	S	S	*	.	H	α-helix	trans	-66	-30.4	172.2	-74.9	166.6	35	0	0	112.2	D89 V90 I91	D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.32Å; D89-Q93 PolarHBondContact O-N 2.74Å; D89-Q93 PolarHBondContact O-NE2 2.75Å; V90-Q93 PolarHBondContact O-N 2.98Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.85Å
94	Q	94.2	Very high	96.7	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-101.9	-28.3	-177.6	-168.9	56.6	58.9	0	0	113.2	I91 N92 Y99 F108	I91-Q94 PolarHBondContact O-N 3.27Å; I91-Q94 VanDerWaalsContact O-N 3.09Å; N92-Q94 VanDerWaalsContact C-N 3.25Å; N92-Q94 PolarHBondContact O-N 3.36Å; Q94-Y99 HydrophobicContact CG-CE2 3.79Å; Q94-Y99 WeakPolarHBondContact O-CD2 3.4Å; Q94-F108 HydrophobicContact CB-CD2 3.98Å; Q94-F108 HydrophobicContact CB-CE2 4.31Å; Q94-F108 HydrophobicContact CG-CD2 4.08Å
95	W	97.4	Very high	96.7	Very high	29 Å²	29	48.3 Å²	48.3	11%	0.11	26%	0.259	C	S	.	.			trans	-73.5	140.3	-174.2	-172.9	-97.7	0	0	0	113	Y61 P62 S65 P66 I91 Y99 I104	Y61-W95 HydrophobicContact CD2-CZ2 4.18Å; Y61-W95 AromaticContact CE2-CH2 3.64Å; Y61-W95 HydrophobicContact CE2-CH2 3.64Å; Y61-W95 AromaticContact CE2-CZ2 3.45Å; Y61-W95 HydrophobicContact CE2-CZ2 3.45Å; Y61-W95 VanDerWaalsContact CE2-CZ2 3.45Å; P62-W95 HydrophobicContact CB-CZ2 4.23Å; P62-W95 PolarHBondContact O-NE1 3.08Å; S65-W95 VanDerWaalsContact CA-CD1 3.49Å; P66-W95 HydrophobicContact CG-CE3 4.39Å; P66-W95 HydrophobicContact CG-CH2 3.81Å; P66-W95 HydrophobicContact CG-CZ2 4.18Å; P66-W95 HydrophobicContact CG-CZ3 3.9Å; I91-W95 HydrophobicContact CG2-CB 4.38Å; I91-W95 WeakPolarHBondContact O-CB 3.37Å; I91-W95 PolarHBondContact O-N 3.36Å; W95-Y99 AromaticContact CE3-CD1 3.6Å; W95-Y99 HydrophobicContact CE3-CD1 3.6Å; W95-Y99 HydrophobicContact CE3-CE1 4.39Å; W95-Y99 AromaticContact CE3-CG 3.98Å; W95-Y99 HydrophobicContact CE3-CG 3.98Å; W95-Y99 HydrophobicContact CH2-CD1 4.45Å; W95-Y99 AromaticContact CZ3-CD1 3.5Å; W95-Y99 HydrophobicContact CZ3-CD1 3.5Å; W95-Y99 HydrophobicContact CZ3-CE1 4.37Å; W95-Y99 HydrophobicContact CZ3-CG 4.16Å; W95-I104 HydrophobicContact CZ3-CD1 4.13Å; W95-I104 HydrophobicContact CZ3-CG1 4.36Å
96	S	97.2	Very high	96.7	Very high	59 Å²	59	49.6 Å²	49.6	41%	0.413	26%	0.26	S	S	.	.			trans	-143.5	163.1	167.4	74	0	0	0	0	109.9	L98 Y99	S96-L98 PolarHBondContact O-N 3.49Å; S96-L98 PolarHBondContact OG-N 3.03Å; S96-Y99 WeakPolarHBondContact O-CB 3.5Å; S96-Y99 PolarHBondContact O-N 3.3Å; S96-Y99 PolarHBondContact OG-N 3.38Å
97	A	96.3	Very high	96.6	Very high	31 Å²	31	52 Å²	52	26%	0.256	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.8	178.9	0	0	0	0	0	114.3	R10 P62 F63	R10-A97 PolarHBondContact NH1-O 2.98Å; P62-A97 HydrophobicContact CG-CB 4.08Å; P62-A97 WeakPolarHBondContact CG-O 3.33Å; F63-A97 HydrophobicContact CD1-CB 4Å; F63-A97 HydrophobicContact CE1-CB 4.19Å
98	L	96.4	Very high	96.7	Very high	149 Å²	149	52.1 Å²	52.1	78%	0.78	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-3.1	175.7	-61.7	178.6	0	0	0	112.8	S96	S96-L98 PolarHBondContact O-N 3.49Å; S96-L98 PolarHBondContact OG-N 3.03Å
99	Y	96.7	Very high	96.8	Very high	24 Å²	24	48.1 Å²	48.1	9%	0.094	26%	0.255	C	S	.	.			trans	-62.3	138.2	177.9	-160.4	-91	0	0	0	109.9	R10 Q94 W95 S96 N103 I104	R10-Y99 PolarHBondContact NH2-O 3.46Å; Q94-Y99 HydrophobicContact CG-CE2 3.79Å; Q94-Y99 WeakPolarHBondContact O-CD2 3.4Å; W95-Y99 AromaticContact CE3-CD1 3.6Å; W95-Y99 HydrophobicContact CE3-CD1 3.6Å; W95-Y99 HydrophobicContact CE3-CE1 4.39Å; W95-Y99 AromaticContact CE3-CG 3.98Å; W95-Y99 HydrophobicContact CE3-CG 3.98Å; W95-Y99 HydrophobicContact CH2-CD1 4.45Å; W95-Y99 AromaticContact CZ3-CD1 3.5Å; W95-Y99 HydrophobicContact CZ3-CD1 3.5Å; W95-Y99 HydrophobicContact CZ3-CE1 4.37Å; W95-Y99 HydrophobicContact CZ3-CG 4.16Å; S96-Y99 WeakPolarHBondContact O-CB 3.5Å; S96-Y99 PolarHBondContact O-N 3.3Å; S96-Y99 PolarHBondContact OG-N 3.38Å; Y99-N103 HydrophobicContact CD1-CB 4.29Å; Y99-N103 HydrophobicContact CE1-CB 3.5Å; Y99-N103 VanDerWaalsContact CE1-CB 3.5Å; Y99-N103 HydrophobicContact CE2-CB 4.46Å; Y99-N103 PolarHBondContact OH-O 3.45Å; Y99-I104 HydrophobicContact CE1-CG1 4.32Å
100	D	95.5	Very high	96.9	Very high	34 Å²	34	44.3 Å²	44.3	18%	0.182	24%	0.236	C	C	.	.			trans	-81.9	131.2	179.2	-166.6	-12.3	0	0	0	109.5	K17 T102 N103	K17-D100 IonicContact NZ-OD1 3.69Å; K17-D100 IonicContact NZ-OD2 2.62Å; K17-D100 PolarHBondContact NZ-OD2 3.41Å; D100-T102 PolarHBondContact O-N 3.05Å; D100-T102 PolarHBondContact OD1-N 3.33Å; D100-N103 HydrophobicContact CB-CB 4.31Å; D100-N103 WeakPolarHBondContact O-CB 3.4Å; D100-N103 PolarHBondContact O-N 3.46Å
101	L	97.3	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.4	-178.8	-172.1	65.4	0	0	0	111.3	D14 V15 L18 L34 V55 L57 P66 N103 I104	D14-L101 HydrophobicContact CB-CB 4.11Å; D14-L101 HydrophobicContact CB-CD2 4.34Å; V15-L101 HydrophobicContact CG2-CD2 4.17Å; L18-L101 HydrophobicContact CB-CD2 4.4Å; L18-L101 HydrophobicContact CD2-CD2 4.02Å; L18-L101 HydrophobicContact CD2-CG 4.24Å; L18-L101 HydrophobicContact CG-CD2 4.34Å; L18-L101 HydrophobicContact CG-CG 4.39Å; L34-L101 HydrophobicContact CD1-CD2 4.44Å; V55-L101 HydrophobicContact CG1-CD1 4.46Å; L57-L101 HydrophobicContact CD1-CD2 4.36Å; L57-L101 HydrophobicContact CD2-CD1 3.96Å; P66-L101 HydrophobicContact CG-CD1 4.09Å; L101-N103 PolarHBondContact O-N 3Å; L101-I104 HydrophobicContact CD1-CD1 3.63Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 WeakPolarHBondContact O-CG1 3.32Å; L101-I104 PolarHBondContact O-N 3.45Å; L101-I104 VanDerWaalsContact O-N 3.16Å
102	T	97.8	Very high	97.1	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.043	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.9	176.5	-50.4	0	0	0	0	112.3	Y23 D100 I104 F105 E106	Y23-T102 HydrophobicContact CD2-CG2 4.03Å; Y23-T102 HydrophobicContact CE2-CG2 3.77Å; D100-T102 PolarHBondContact O-N 3.05Å; D100-T102 PolarHBondContact OD1-N 3.33Å; T102-I104 PolarHBondContact O-N 3.27Å; T102-I104 VanDerWaalsContact O-N 3.17Å; T102-F105 PolarHBondContact O-N 2.99Å; T102-E106 HydrophobicContact CG2-CG 4.11Å; T102-E106 PolarHBondContact O-N 3.44Å; T102-E106 VanDerWaalsContact O-N 3.08Å
103	N	97.9	Very high	97.3	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-68	-14.8	179	-73.9	-13.9	0	0	0	113.3	Y99 D100 L101 F105 S107 F108	Y99-N103 HydrophobicContact CD1-CB 4.29Å; Y99-N103 HydrophobicContact CE1-CB 3.5Å; Y99-N103 VanDerWaalsContact CE1-CB 3.5Å; Y99-N103 HydrophobicContact CE2-CB 4.46Å; Y99-N103 PolarHBondContact OH-O 3.45Å; D100-N103 HydrophobicContact CB-CB 4.31Å; D100-N103 WeakPolarHBondContact O-CB 3.4Å; D100-N103 PolarHBondContact O-N 3.46Å; L101-N103 PolarHBondContact O-N 3Å; N103-F105 PolarHBondContact O-N 3.06Å; N103-S107 WeakPolarHBondContact O-CA 3.45Å; N103-S107 PolarHBondContact O-N 3.08Å; N103-F108 PolarHBondContact O-N 3.05Å
104	I	98.3	Very high	97.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	22%	0.219	C	C	.	.	I	π-helix	trans	-55.4	-45	168.8	-68	-178.5	0	0	0	109.9	P66 I68 W95 Y99 L101 T102 F108 L109	P66-I104 HydrophobicContact CB-CD1 4.34Å; P66-I104 HydrophobicContact CG-CD1 4.02Å; I68-I104 HydrophobicContact CD1-CD1 4.14Å; I68-I104 HydrophobicContact CD1-CG2 3.67Å; I68-I104 HydrophobicContact CG1-CG2 4.5Å; W95-I104 HydrophobicContact CZ3-CD1 4.13Å; W95-I104 HydrophobicContact CZ3-CG1 4.36Å; Y99-I104 HydrophobicContact CE1-CG1 4.32Å; L101-I104 HydrophobicContact CD1-CD1 3.63Å; L101-I104 WeakPolarHBondContact O-CB 3.38Å; L101-I104 WeakPolarHBondContact O-CG1 3.32Å; L101-I104 PolarHBondContact O-N 3.45Å; L101-I104 VanDerWaalsContact O-N 3.16Å; T102-I104 PolarHBondContact O-N 3.27Å; T102-I104 VanDerWaalsContact O-N 3.17Å; I104-F108 HydrophobicContact CG2-CD1 4.44Å; I104-L109 HydrophobicContact CG2-CD1 4.06Å; I104-L109 HydrophobicContact CG2-CG 4.14Å; I104-L109 WeakPolarHBondContact O-CB 3.19Å; I104-L109 WeakPolarHBondContact O-CG 3.46Å; I104-L109 PolarHBondContact O-N 2.89Å
105	F	98.5	Very high	97.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.228	C	C	.	.	I	π-helix	trans	-93.4	-27	-175.8	-55.8	-78.9	0	0	0	113.2	L18 Y23 V36 F38 V53 V55 T102 N103 L109 P110	L18-F105 HydrophobicContact CD1-CD2 4.24Å; L18-F105 HydrophobicContact CD1-CE2 4.37Å; L18-F105 HydrophobicContact CD2-CE2 4.08Å; Y23-F105 HydrophobicContact CD1-CB 4.01Å; Y23-F105 HydrophobicContact CD1-CG 4.45Å; Y23-F105 HydrophobicContact CD2-CB 4.36Å; Y23-F105 HydrophobicContact CE1-CB 3.44Å; Y23-F105 VanDerWaalsContact CE1-CB 3.44Å; Y23-F105 HydrophobicContact CE1-CG 4.32Å; Y23-F105 HydrophobicContact CE2-CB 3.87Å; Y23-F105 HydrophobicContact CG-CB 4.44Å; Y23-F105 PolarHBondContact OH-O 2.93Å; Y23-F105 VanDerWaalsContact OH-O 3.11Å; V36-F105 HydrophobicContact CB-CD1 4.34Å; V36-F105 HydrophobicContact CB-CE1 3.58Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.41Å; V36-F105 VanDerWaalsContact CB-CZ 3.41Å; V36-F105 HydrophobicContact CG1-CD1 4.02Å; V36-F105 HydrophobicContact CG1-CD2 4.31Å; V36-F105 HydrophobicContact CG1-CE1 3.76Å; V36-F105 HydrophobicContact CG1-CE2 4.08Å; V36-F105 HydrophobicContact CG1-CG 4.28Å; V36-F105 HydrophobicContact CG1-CZ 3.78Å; V36-F105 HydrophobicContact CG2-CE1 4.12Å; V36-F105 HydrophobicContact CG2-CE2 3.77Å; V36-F105 HydrophobicContact CG2-CZ 3.4Å; V36-F105 VanDerWaalsContact CG2-CZ 3.4Å; F38-F105 HydrophobicContact CB-CD1 4.49Å; F38-F105 HydrophobicContact CD2-CD1 4.04Å; V53-F105 HydrophobicContact CB-CE1 4.01Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V53-F105 HydrophobicContact CG1-CZ 4.47Å; V55-F105 HydrophobicContact CG2-CE2 4.33Å; V55-F105 HydrophobicContact CG2-CZ 3.64Å; T102-F105 PolarHBondContact O-N 2.99Å; N103-F105 PolarHBondContact O-N 3.06Å; F105-L109 HydrophobicContact CD1-CD1 3.88Å; F105-L109 HydrophobicContact CE1-CD1 4.03Å; F105-P110 WeakPolarHBondContact O-CD 3.48Å; F105-P110 WeakPolarHBondContact O-CG 3.42Å
106	E	97.4	Very high	97.4	Very high	92 Å²	92	42.5 Å²	42.5	43%	0.43	23%	0.226	S	C	.	.	I	π-helix	trans	-81.6	-30.8	178.5	-70.6	-170.6	157.7	0	0	113.1	K22 Y23 T102	K22-E106 WeakPolarHBondContact CE-OE1 3.41Å; K22-E106 IonicContact NZ-OE1 3.35Å; K22-E106 PolarHBondContact NZ-OE1 3.45Å; Y23-E106 HydrophobicContact CE2-CG 3.73Å; Y23-E106 WeakPolarHBondContact OH-CA 3.37Å; Y23-E106 WeakPolarHBondContact OH-CG 3.48Å; Y23-E106 PolarHBondContact OH-N 3.32Å; T102-E106 HydrophobicContact CG2-CG 4.11Å; T102-E106 PolarHBondContact O-N 3.44Å; T102-E106 VanDerWaalsContact O-N 3.08Å
107	S	97.6	Very high	97	Very high	54 Å²	54	42.1 Å²	42.1	38%	0.378	22%	0.22	S	C	.	.	I	π-helix	trans	-131.2	-59.2	-170.4	-176	0	0	0	0	112.7	N103 P110 Q111	N103-S107 WeakPolarHBondContact O-CA 3.45Å; N103-S107 PolarHBondContact O-N 3.08Å; S107-P110 WeakPolarHBondContact O-CD 3.45Å; S107-Q111 VanDerWaalsContact O-CB 3.32Å; S107-Q111 WeakPolarHBondContact O-CB 3.45Å; S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 2.83Å
108	F	98.2	Very high	96.5	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.088	22%	0.218	C	C	.	.	I	π-helix	trans	-60.8	-56.1	-170.1	170.9	-105.3	0	0	0	113.1	I68 V86 V90 I91 Q94 N103 I104 Q111 L112	I68-F108 HydrophobicContact CD1-CD1 4.11Å; I68-F108 HydrophobicContact CD1-CE1 3.8Å; V86-F108 HydrophobicContact CG1-CE1 4.3Å; V86-F108 HydrophobicContact CG1-CZ 4.26Å; V90-F108 HydrophobicContact CG1-CE2 4.11Å; V90-F108 HydrophobicContact CG1-CZ 4.2Å; I91-F108 HydrophobicContact CB-CZ 4.34Å; I91-F108 HydrophobicContact CG1-CE1 4.03Å; I91-F108 HydrophobicContact CG1-CZ 3.72Å; Q94-F108 HydrophobicContact CB-CD2 3.98Å; Q94-F108 HydrophobicContact CB-CE2 4.31Å; Q94-F108 HydrophobicContact CG-CD2 4.08Å; N103-F108 PolarHBondContact O-N 3.05Å; I104-F108 HydrophobicContact CG2-CD1 4.44Å; F108-Q111 PolarHBondContact O-N 3.31Å; F108-L112 HydrophobicContact CE1-CD2 4.28Å; F108-L112 HydrophobicContact CZ-CD2 4.06Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.43Å; F108-L112 PolarHBondContact O-N 3.28Å
109	L	98.5	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-46.1	-179.1	-69	177.1	0	0	0	112.5	F38 V53 I68 F70 I104 F105 Q111 L112 L113	F38-L109 HydrophobicContact CD2-CD1 4.37Å; F38-L109 HydrophobicContact CE1-CB 4.28Å; F38-L109 HydrophobicContact CE2-CB 3.91Å; F38-L109 HydrophobicContact CE2-CD1 4.43Å; F38-L109 HydrophobicContact CG-CD1 4.49Å; F38-L109 HydrophobicContact CZ-CB 3.7Å; V53-L109 HydrophobicContact CG1-CD1 4.17Å; V53-L109 HydrophobicContact CG2-CD1 4.47Å; I68-L109 HydrophobicContact CG2-CD2 4.41Å; F70-L109 HydrophobicContact CE2-CD2 4.06Å; F70-L109 HydrophobicContact CZ-CD1 4.45Å; F70-L109 HydrophobicContact CZ-CD2 4.15Å; I104-L109 HydrophobicContact CG2-CD1 4.06Å; I104-L109 HydrophobicContact CG2-CG 4.14Å; I104-L109 WeakPolarHBondContact O-CB 3.19Å; I104-L109 WeakPolarHBondContact O-CG 3.46Å; I104-L109 PolarHBondContact O-N 2.89Å; F105-L109 HydrophobicContact CD1-CD1 3.88Å; F105-L109 HydrophobicContact CE1-CD1 4.03Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.91Å; L109-L112 PolarHBondContact O-N 2.95Å; L109-L113 WeakPolarHBondContact O-CD1 3.38Å; L109-L113 PolarHBondContact O-N 2.82Å
110	P	98.4	Very high	95.6	Very high	27 Å²	27	45.9 Å²	45.9	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-54.6	-44.3	173.4	-29.9	36.9	0	0	0	113.9	F38 P41 F105 S107 A114	F38-P110 HydrophobicContact CE2-CG 4.13Å; F38-P110 HydrophobicContact CZ-CG 4.25Å; P41-P110 HydrophobicContact CB-CB 4.16Å; F105-P110 WeakPolarHBondContact O-CD 3.48Å; F105-P110 WeakPolarHBondContact O-CG 3.42Å; S107-P110 WeakPolarHBondContact O-CD 3.45Å; P110-A114 WeakPolarHBondContact O-CB 3.43Å; P110-A114 PolarHBondContact O-N 3.09Å; P110-A114 VanDerWaalsContact O-N 3.09Å
111	Q	97.9	Very high	95.6	Very high	107 Å²	107	45.7 Å²	45.7	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-69.4	-40	179.1	-69.9	-62.4	-47.8	0	0	112.1	S107 F108 L109 L113 A114 Y115	S107-Q111 VanDerWaalsContact O-CB 3.32Å; S107-Q111 WeakPolarHBondContact O-CB 3.45Å; S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 2.83Å; F108-Q111 PolarHBondContact O-N 3.31Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 2.91Å; Q111-L113 PolarHBondContact O-N 2.83Å; Q111-A114 PolarHBondContact O-N 2.82Å; Q111-Y115 PolarHBondContact O-N 3.47Å
112	L	97.7	Very high	95.7	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-47.7	176.9	-179.2	59.4	0	0	0	111.1	H76 N78 V86 V90 F108 L109 A114 Y115	H76-L112 PolarHBondContact NE2-O 2.74Å; N78-L112 HydrophobicContact CB-CD1 4.2Å; V86-L112 HydrophobicContact CG1-CD2 3.77Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; F108-L112 HydrophobicContact CE1-CD2 4.28Å; F108-L112 HydrophobicContact CZ-CD2 4.06Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.43Å; F108-L112 PolarHBondContact O-N 3.28Å; L109-L112 PolarHBondContact O-N 2.95Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 2.89Å; L112-Y115 CarbonylContact O-C 2.88Å; L112-Y115 VanDerWaalsContact O-C 3.32Å; L112-Y115 PolarHBondContact O-N 2.84Å
113	L	98.4	Very high	95.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-34.3	179.6	-91.4	61.1	0	0	0	112.5	F38 P41 Y46 F70 I74 L109 Q111	F38-L113 HydrophobicContact CE1-CD2 3.85Å; F38-L113 HydrophobicContact CZ-CD2 4.45Å; P41-L113 HydrophobicContact CG-CB 3.93Å; P41-L113 HydrophobicContact CG-CD2 4.26Å; Y46-L113 HydrophobicContact CD1-CD2 4Å; Y46-L113 HydrophobicContact CD1-CG 4.2Å; Y46-L113 HydrophobicContact CD2-CB 3.75Å; Y46-L113 HydrophobicContact CD2-CD2 4.08Å; Y46-L113 HydrophobicContact CD2-CG 3.87Å; Y46-L113 HydrophobicContact CE1-CG 4.34Å; Y46-L113 HydrophobicContact CE2-CB 4Å; Y46-L113 HydrophobicContact CE2-CG 4.05Å; Y46-L113 WeakPolarHBondContact CE2-O 3.42Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.72Å; Y46-L113 HydrophobicContact CG-CG 3.97Å; F70-L113 HydrophobicContact CZ-CD1 4.4Å; I74-L113 HydrophobicContact CD1-CD1 4.45Å; I74-L113 HydrophobicContact CD1-CD2 4.32Å; I74-L113 HydrophobicContact CD1-CG 4.48Å; L109-L113 WeakPolarHBondContact O-CD1 3.38Å; L109-L113 PolarHBondContact O-N 2.82Å; Q111-L113 PolarHBondContact O-N 2.83Å
114	A	97.6	Very high	95.7	Very high	35 Å²	35	50.5 Å²	50.5	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-73.5	-37.5	176.6	0	0	0	0	0	112.6	T44 P110 Q111 L112	T44-A114 HydrophobicContact CG2-CB 3.95Å; P110-A114 WeakPolarHBondContact O-CB 3.43Å; P110-A114 PolarHBondContact O-N 3.09Å; P110-A114 VanDerWaalsContact O-N 3.09Å; Q111-A114 PolarHBondContact O-N 2.82Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 2.89Å
115	Y	96.1	Very high	95.6	Very high	171 Å²	171	55.9 Å²	55.9	67%	0.671	30%	0.304	S	S	*	.	S	Bend	trans	-132.7	77.2	-172.8	-52.9	-71.8	0	0	0	111.4	Q111 L112	Q111-Y115 PolarHBondContact O-N 3.47Å; L112-Y115 CarbonylContact O-C 2.88Å; L112-Y115 VanDerWaalsContact O-C 3.32Å; L112-Y115 PolarHBondContact O-N 2.84Å
116	P	94.8	Very high	95.6	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.078	30%	0.304	C	S	.	.			trans	-59.8	147.9	177.3	-20.4	31.1	0	0	0	111.7	P77 P118 F130	P77-P116 HydrophobicContact CB-CB 4.12Å; P77-P116 HydrophobicContact CG-CB 3.66Å; P77-P116 HydrophobicContact CG-CG 4.27Å; P116-P118 WeakPolarHBondContact O-CD 3.42Å; P116-F130 HydrophobicContact CB-CE1 4.44Å; P116-F130 HydrophobicContact CB-CZ 4.49Å; P116-F130 HydrophobicContact CG-CD2 4.31Å; P116-F130 HydrophobicContact CG-CE2 4.03Å; P116-F130 HydrophobicContact CG-CZ 4.15Å
117	N	89.6	Confident	95.7	Very high	51 Å²	51	51.4 Å²	51.4	27%	0.273	28%	0.284	S	S	.	.			trans	-92.6	104.5	166.7	-178.7	0.4	0	0	0	109.3	N78 T119	N78-N117 PolarHBondContact ND2-O 3.09Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.88Å; N117-T119 PolarHBondContact O-N 2.94Å; N117-T119 VanDerWaalsContact OD1-CB 3.23Å; N117-T119 WeakPolarHBondContact OD1-CB 3.5Å; N117-T119 PolarHBondContact OD1-N 3.25Å; N117-T119 PolarHBondContact OD1-OG1 3.27Å; N117-T119 VanDerWaalsContact OD1-OG1 3.04Å
118	P	85.7	Confident	95.7	Very high	35 Å²	35	51.5 Å²	51.5	23%	0.227	28%	0.284	C	S	.	.			trans	-77.2	-1.5	-179.2	33.4	-37	0	0	0	113.6	P116 F130 M131	P116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-F130 HydrophobicContact CB-CD1 4.25Å; P118-F130 HydrophobicContact CG-CE1 4.42Å; P118-M131 HydrophobicContact CB-CE 4.18Å; P118-M131 HydrophobicContact CB-CG 3.76Å; P118-M131 HydrophobicContact CB-SD 3.75Å; P118-M131 HydrophobicContact CG-CG 4.21Å; P118-M131 HydrophobicContact CG-SD 4.21Å
119	T	84.5	Confident	95.6	Very high	107 Å²	107	52.2 Å²	52.2	66%	0.656	29%	0.289	S	S	*	.	S	Bend	trans	-84.6	118.3	179.5	-39.5	0	0	0	0	109.2	N117	N117-T119 PolarHBondContact O-N 2.94Å; N117-T119 VanDerWaalsContact OD1-CB 3.23Å; N117-T119 WeakPolarHBondContact OD1-CB 3.5Å; N117-T119 PolarHBondContact OD1-N 3.25Å; N117-T119 PolarHBondContact OD1-OG1 3.27Å; N117-T119 VanDerWaalsContact OD1-OG1 3.04Å
120	D	90.4	Very high	95.6	Very high	140 Å²	140	55.5 Å²	55.5	75%	0.749	30%	0.303	S	S	*	.	S	Bend	trans	56.5	65.7	-175.1	-157.2	21.8	0	0	0	114.1
121	P	96	Very high	95.5	Very high	30 Å²	30	58.6 Å²	58.6	20%	0.195	32%	0.316	C	S	.	.			trans	-78.7	147.7	-174.4	34.3	-36.6	0	0	0	112.7	P77 A127	P77-P121 HydrophobicContact CB-CB 4.37Å; P77-P121 CarbonylContact O-C 3.56Å; P77-P121 WeakPolarHBondContact O-CA 3.44Å; P77-P121 WeakPolarHBondContact O-CB 3.44Å; P121-A127 HydrophobicContact CB-CB 3.52Å; P121-A127 HydrophobicContact CG-CB 3.52Å
122	L	97.8	Very high	95.5	Very high	73 Å²	73	60.7 Å²	60.7	38%	0.382	32%	0.324	S	S	.	.	S	Bend	trans	-74.5	-34.2	166.2	-65.4	-176.3	0	0	0	111.3	P77 D80 T85 C87	P77-L122 PolarHBondContact O-N 3.33Å; D80-L122 HydrophobicContact CB-CB 4.43Å; D80-L122 HydrophobicContact CB-CD1 4.32Å; T85-L122 WeakPolarHBondContact O-CD1 3.25Å; C87-L122 HydrophobicContact CB-CD1 3.74Å; C87-L122 HydrophobicContact CB-CG 4.04Å
123	N	98.2	Very high	95.5	Very high	10 Å²	10	64.7 Å²	64.7	5%	0.053	34%	0.341	C	S	.	.			trans	-110	95.3	173.3	-171.6	-27.1	0	0	0	109.9	H76 P77 E81 D125 A126 A127	H76-N123 WeakPolarHBondContact O-CB 3.34Å; P77-N123 PolarHBondContact O-N 3.05Å; E81-N123 PolarHBondContact OE2-ND2 3.45Å; N123-D125 VanDerWaalsContact C-N 3.29Å; N123-D125 PolarHBondContact O-N 3.33Å; N123-D125 PolarHBondContact OD1-N 2.92Å; N123-A126 HydrophobicContact CB-CB 3.89Å; N123-A126 VanDerWaalsContact CG-CB 3.49Å; N123-A126 PolarHBondContact O-N 3.21Å; N123-A126 PolarHBondContact OD1-N 3.39Å; N123-A127 PolarHBondContact O-N 3.21Å
124	S	97.4	Very high	95.4	Very high	79 Å²	79	68.4 Å²	68.4	55%	0.552	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-33.2	-179.2	-69.8	0	0	0	0	112.9	A127 S128	S124-A127 PolarHBondContact O-N 2.87Å; S124-S128 VanDerWaalsContact O-CB 3.31Å; S124-S128 WeakPolarHBondContact O-CB 3.42Å; S124-S128 PolarHBondContact O-N 2.97Å
125	D	97.8	Very high	95.5	Very high	115 Å²	115	70.9 Å²	70.9	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-68.9	-45.2	177.9	-71.2	-14.7	0	0	0	110.8	F75 N123 A127 S128 L129	F75-D125 HydrophobicContact CE2-CB 4.5Å; F75-D125 HydrophobicContact CZ-CB 4.34Å; N123-D125 VanDerWaalsContact C-N 3.29Å; N123-D125 PolarHBondContact O-N 3.33Å; N123-D125 PolarHBondContact OD1-N 2.92Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.49Å; D125-S128 PolarHBondContact O-N 2.75Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.65Å
126	A	98.3	Very high	95.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-43.1	175	0	0	0	0	0	111.6	F75 P77 N123 F130 Y137	F75-A126 HydrophobicContact CD1-CB 3.94Å; F75-A126 HydrophobicContact CD2-CB 4.36Å; F75-A126 VanDerWaalsContact CE1-CA 3.49Å; F75-A126 HydrophobicContact CE1-CB 3.57Å; F75-A126 HydrophobicContact CE2-CB 4.01Å; F75-A126 HydrophobicContact CG-CB 4.33Å; F75-A126 HydrophobicContact CZ-CB 3.61Å; P77-A126 HydrophobicContact CG-CB 4.19Å; N123-A126 HydrophobicContact CB-CB 3.89Å; N123-A126 VanDerWaalsContact CG-CB 3.49Å; N123-A126 PolarHBondContact O-N 3.21Å; N123-A126 PolarHBondContact OD1-N 3.39Å; A126-F130 WeakPolarHBondContact O-CB 3.26Å; A126-F130 PolarHBondContact O-N 3.33Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å
127	A	98	Very high	95.7	Very high	1 Å²	1	67 Å²	67	1%	0.008	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-42.9	177.1	0	0	0	0	0	112.6	P77 P121 N123 S124 D125 F130 M131	P77-A127 HydrophobicContact CB-CB 4.07Å; P77-A127 HydrophobicContact CG-CB 4.46Å; P121-A127 HydrophobicContact CB-CB 3.52Å; P121-A127 HydrophobicContact CG-CB 3.52Å; N123-A127 PolarHBondContact O-N 3.21Å; S124-A127 PolarHBondContact O-N 2.87Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.49Å; A127-F130 PolarHBondContact O-N 2.98Å; A127-M131 HydrophobicContact CB-CE 4.31Å; A127-M131 WeakPolarHBondContact O-CB 3.3Å; A127-M131 WeakPolarHBondContact O-CE 3.43Å; A127-M131 WeakPolarHBondContact O-CG 3.41Å; A127-M131 PolarHBondContact O-N 3.39Å
128	S	97.6	Very high	96.2	Very high	56 Å²	56	66.9 Å²	66.9	39%	0.392	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177.2	-177.2	0	0	0	0	111.4	S124 D125 F130 M131 F132	S124-S128 VanDerWaalsContact O-CB 3.31Å; S124-S128 WeakPolarHBondContact O-CB 3.42Å; S124-S128 PolarHBondContact O-N 2.97Å; D125-S128 PolarHBondContact O-N 2.75Å; S128-F130 PolarHBondContact O-N 2.77Å; S128-M131 PolarHBondContact O-N 3.24Å; S128-F132 WeakPolarHBondContact O-CB 3.39Å; S128-F132 VanDerWaalsContact O-CD2 3.26Å; S128-F132 WeakPolarHBondContact O-CD2 3.44Å; S128-F132 PolarHBondContact O-N 2.94Å
129	L	97.9	Very high	96.8	Very high	34 Å²	34	70 Å²	70	18%	0.178	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-43.8	175.5	-69.9	-179.1	0	0	0	111.3	F75 D125 M131 K133 E136 Y137 K140	F75-L129 HydrophobicContact CE1-CD1 3.95Å; F75-L129 HydrophobicContact CZ-CD1 3.98Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.65Å; L129-M131 PolarHBondContact O-N 2.76Å; L129-K133 HydrophobicContact CD2-CB 4.15Å; L129-K133 HydrophobicContact CD2-CD 4.07Å; L129-K133 CarbonylContact O-C 3.56Å; L129-K133 VanDerWaalsContact O-CA 3.25Å; L129-K133 WeakPolarHBondContact O-CA 3.33Å; L129-K133 PolarHBondContact O-N 2.78Å; L129-E136 HydrophobicContact CD2-CB 4.11Å; L129-Y137 HydrophobicContact CB-CD2 4.29Å; L129-K140 HydrophobicContact CD1-CB 4.43Å; L129-K140 HydrophobicContact CD1-CG 4.5Å
130	F	97.5	Very high	97.5	Very high	69 Å²	69	67.9 Å²	67.9	30%	0.303	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-44.4	178.6	177.9	-106	0	0	0	112.4	P77 P116 P118 A126 A127 S128 Y137	P77-F130 HydrophobicContact CG-CB 4.34Å; P116-F130 HydrophobicContact CB-CE1 4.44Å; P116-F130 HydrophobicContact CB-CZ 4.49Å; P116-F130 HydrophobicContact CG-CD2 4.31Å; P116-F130 HydrophobicContact CG-CE2 4.03Å; P116-F130 HydrophobicContact CG-CZ 4.15Å; P118-F130 HydrophobicContact CB-CD1 4.25Å; P118-F130 HydrophobicContact CG-CE1 4.42Å; A126-F130 WeakPolarHBondContact O-CB 3.26Å; A126-F130 PolarHBondContact O-N 3.33Å; A127-F130 PolarHBondContact O-N 2.98Å; S128-F130 PolarHBondContact O-N 2.77Å; F130-Y137 HydrophobicContact CB-CD2 4.05Å; F130-Y137 HydrophobicContact CB-CE2 4.18Å; F130-Y137 HydrophobicContact CB-CG 4.21Å; F130-Y137 AromaticContact CD2-CD1 3.94Å; F130-Y137 HydrophobicContact CD2-CD1 3.94Å; F130-Y137 AromaticContact CD2-CE1 3.71Å; F130-Y137 HydrophobicContact CD2-CE1 3.71Å; F130-Y137 HydrophobicContact CD2-CG 4.47Å; F130-Y137 HydrophobicContact CE2-CE1 4.45Å
131	M	96.7	Very high	97.9	Very high	92 Å²	92	61.3 Å²	61.3	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-76.4	-43.7	-177.7	-72.6	-172	-76.7	0	0	113.7	P118 A127 S128 L129	P118-M131 HydrophobicContact CB-CE 4.18Å; P118-M131 HydrophobicContact CB-CG 3.76Å; P118-M131 HydrophobicContact CB-SD 3.75Å; P118-M131 HydrophobicContact CG-CG 4.21Å; P118-M131 HydrophobicContact CG-SD 4.21Å; A127-M131 HydrophobicContact CB-CE 4.31Å; A127-M131 WeakPolarHBondContact O-CB 3.3Å; A127-M131 WeakPolarHBondContact O-CE 3.43Å; A127-M131 WeakPolarHBondContact O-CG 3.41Å; A127-M131 PolarHBondContact O-N 3.39Å; S128-M131 PolarHBondContact O-N 3.24Å; L129-M131 PolarHBondContact O-N 2.76Å
132	F	97.4	Very high	98	Very high	152 Å²	152	65.2 Å²	65.2	67%	0.667	35%	0.347	S	S	*	.	H	α-helix	trans	-106	-20.7	-167.7	-56.5	-63.6	0	0	0	113.6	S128	S128-F132 WeakPolarHBondContact O-CB 3.39Å; S128-F132 VanDerWaalsContact O-CD2 3.26Å; S128-F132 WeakPolarHBondContact O-CD2 3.44Å; S128-F132 PolarHBondContact O-N 2.94Å
133	K	97.8	Very high	98	Very high	94 Å²	94	64.7 Å²	64.7	41%	0.409	34%	0.343	S	S	.	.			trans	-144.4	61.9	-172.3	-56.7	-166	179.8	-170.1	0	112.3	L129 S135 E136 Y137	L129-K133 HydrophobicContact CD2-CB 4.15Å; L129-K133 HydrophobicContact CD2-CD 4.07Å; L129-K133 CarbonylContact O-C 3.56Å; L129-K133 VanDerWaalsContact O-CA 3.25Å; L129-K133 WeakPolarHBondContact O-CA 3.33Å; L129-K133 PolarHBondContact O-N 2.78Å; K133-S135 PolarHBondContact O-N 2.92Å; K133-S135 VanDerWaalsContact O-N 3.11Å; K133-E136 HydrophobicContact CB-CB 4.04Å; K133-E136 HydrophobicContact CB-CG 4.33Å; K133-E136 HydrophobicContact CD-CG 4.29Å; K133-E136 WeakPolarHBondContact CD-OE1 3.35Å; K133-E136 WeakPolarHBondContact CD-OE2 3.35Å; K133-E136 VanDerWaalsContact NZ-CD 3.34Å; K133-E136 IonicContact NZ-OE1 2.96Å; K133-E136 PolarHBondContact NZ-OE1 3.04Å; K133-E136 IonicContact NZ-OE2 2.9Å; K133-E136 PolarHBondContact NZ-OE2 3.48Å; K133-E136 PolarHBondContact O-N 2.8Å; K133-Y137 PolarHBondContact O-N 2.81Å
134	P	97	Very high	98	Very high	80 Å²	80	65.4 Å²	65.4	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-32.8	-170.9	22	-34	0	0	0	113.4	Y137 V138	P134-Y137 WeakPolarHBondContact O-CB 3.36Å; P134-Y137 PolarHBondContact O-N 2.93Å; P134-V138 VanDerWaalsContact O-CG2 3.27Å; P134-V138 WeakPolarHBondContact O-CG2 3.05Å; P134-V138 PolarHBondContact O-N 3.23Å
135	S	98.2	Very high	98.1	Very high	87 Å²	87	62.4 Å²	62.4	61%	0.608	32%	0.323	S	S	*	.	H	α-helix	trans	-65.6	-44.5	174.5	52.1	0	0	0	0	112.8	K133 Y137 V138 T139	K133-S135 PolarHBondContact O-N 2.92Å; K133-S135 VanDerWaalsContact O-N 3.11Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; S135-V138 PolarHBondContact O-N 2.84Å; S135-T139 PolarHBondContact O-N 3.16Å; S135-T139 PolarHBondContact O-OG1 3.01Å
136	E	98.5	Very high	98.1	Very high	93 Å²	93	63.9 Å²	63.9	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-38.5	175.8	-69.6	-177.6	-153.6	0	0	111	L129 K133 T139 K140	L129-E136 HydrophobicContact CD2-CB 4.11Å; K133-E136 HydrophobicContact CB-CB 4.04Å; K133-E136 HydrophobicContact CB-CG 4.33Å; K133-E136 HydrophobicContact CD-CG 4.29Å; K133-E136 WeakPolarHBondContact CD-OE1 3.35Å; K133-E136 WeakPolarHBondContact CD-OE2 3.35Å; K133-E136 VanDerWaalsContact NZ-CD 3.34Å; K133-E136 IonicContact NZ-OE1 2.96Å; K133-E136 PolarHBondContact NZ-OE1 3.04Å; K133-E136 IonicContact NZ-OE2 2.9Å; K133-E136 PolarHBondContact NZ-OE2 3.48Å; K133-E136 PolarHBondContact O-N 2.8Å; E136-T139 PolarHBondContact O-N 3.1Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 PolarHBondContact O-N 3.42Å
137	Y	98.5	Very high	98	Very high	8 Å²	8	70.8 Å²	70.8	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-51.4	172.9	174.9	-104.4	0	0	0	111.7	Y46 F75 A126 L129 F130 K133 P134 S135 T139 K140 V141	Y46-Y137 PolarHBondContact OH-OH 2.86Å; F75-Y137 HydrophobicContact CD1-CD2 4.32Å; F75-Y137 HydrophobicContact CD1-CE2 4.25Å; F75-Y137 HydrophobicContact CE1-CD2 4.09Å; F75-Y137 HydrophobicContact CE1-CE2 4.36Å; A126-Y137 HydrophobicContact CB-CE2 4.4Å; L129-Y137 HydrophobicContact CB-CD2 4.29Å; F130-Y137 HydrophobicContact CB-CD2 4.05Å; F130-Y137 HydrophobicContact CB-CE2 4.18Å; F130-Y137 HydrophobicContact CB-CG 4.21Å; F130-Y137 AromaticContact CD2-CD1 3.94Å; F130-Y137 HydrophobicContact CD2-CD1 3.94Å; F130-Y137 AromaticContact CD2-CE1 3.71Å; F130-Y137 HydrophobicContact CD2-CE1 3.71Å; F130-Y137 HydrophobicContact CD2-CG 4.47Å; F130-Y137 HydrophobicContact CE2-CE1 4.45Å; K133-Y137 PolarHBondContact O-N 2.81Å; P134-Y137 WeakPolarHBondContact O-CB 3.36Å; P134-Y137 PolarHBondContact O-N 2.93Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; Y137-T139 VanDerWaalsContact C-N 3.32Å; Y137-T139 PolarHBondContact O-N 3.29Å; Y137-K140 PolarHBondContact O-N 3.08Å; Y137-K140 VanDerWaalsContact O-N 3.13Å; Y137-V141 HydrophobicContact CD1-CG2 4.37Å; Y137-V141 HydrophobicContact CD2-CG2 4.2Å; Y137-V141 HydrophobicContact CE1-CG2 4.06Å; Y137-V141 HydrophobicContact CE2-CG2 3.85Å; Y137-V141 HydrophobicContact CG-CG2 4.45Å; Y137-V141 WeakPolarHBondContact O-CG2 3.18Å; Y137-V141 PolarHBondContact O-N 3.39Å
138	V	98.5	Very high	98	Very high	50 Å²	50	72.7 Å²	72.7	30%	0.303	36%	0.361	S	S	.	.	H	α-helix	trans	-58.6	-44.6	178.6	173.7	0	0	0	0	111.2	P45 P134 S135 K140 V141 K142	P45-V138 HydrophobicContact CB-CG1 4.25Å; P45-V138 HydrophobicContact CB-CG2 4.45Å; P45-V138 HydrophobicContact CG-CB 4.42Å; P45-V138 HydrophobicContact CG-CG1 4.31Å; P45-V138 HydrophobicContact CG-CG2 3.8Å; P134-V138 VanDerWaalsContact O-CG2 3.27Å; P134-V138 WeakPolarHBondContact O-CG2 3.05Å; P134-V138 PolarHBondContact O-N 3.23Å; S135-V138 PolarHBondContact O-N 2.84Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 3.22Å; V138-V141 PolarHBondContact O-N 3.17Å; V138-K142 HydrophobicContact CG1-CD 4.23Å; V138-K142 WeakPolarHBondContact O-CG 3.18Å; V138-K142 PolarHBondContact O-N 3.11Å
139	T	98.6	Very high	98	Very high	100 Å²	100	70 Å²	70	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-60.9	-43.4	176.5	-64.1	0	0	0	0	111.5	S135 E136 Y137 K142 E143	S135-T139 PolarHBondContact O-N 3.16Å; S135-T139 PolarHBondContact O-OG1 3.01Å; E136-T139 PolarHBondContact O-N 3.1Å; Y137-T139 VanDerWaalsContact C-N 3.32Å; Y137-T139 PolarHBondContact O-N 3.29Å; T139-K142 PolarHBondContact O-N 3.34Å; T139-E143 PolarHBondContact O-N 3.28Å
140	K	98.6	Very high	98	Very high	62 Å²	62	69.6 Å²	69.6	27%	0.27	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-43	-179.2	-167.4	64	177.6	165.9	0	112.4	F75 L129 E136 Y137 V138 E143 Y144	F75-K140 HydrophobicContact CD1-CB 4.33Å; F75-K140 HydrophobicContact CD1-CG 3.91Å; F75-K140 HydrophobicContact CE1-CB 4.24Å; F75-K140 HydrophobicContact CE1-CG 3.8Å; F75-K140 HydrophobicContact CG-CG 4.31Å; F75-K140 HydrophobicContact CZ-CG 4.13Å; L129-K140 HydrophobicContact CD1-CB 4.43Å; L129-K140 HydrophobicContact CD1-CG 4.5Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 PolarHBondContact O-N 3.42Å; Y137-K140 PolarHBondContact O-N 3.08Å; Y137-K140 VanDerWaalsContact O-N 3.13Å; V138-K140 VanDerWaalsContact C-N 3.34Å; V138-K140 PolarHBondContact O-N 3.22Å; K140-E143 IonicContact NZ-OE1 2.65Å; K140-E143 IonicContact NZ-OE2 3.02Å; K140-E143 PolarHBondContact NZ-OE2 2.9Å; K140-E143 WeakPolarHBondContact O-CB 3.25Å; K140-E143 PolarHBondContact O-N 3.04Å; K140-Y144 HydrophobicContact CD-CE2 4.26Å; K140-Y144 HydrophobicContact CG-CE2 4.47Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å; K140-Y144 PolarHBondContact O-N 2.99Å
141	V	98.7	Very high	97.8	Very high	2 Å²	2	71 Å²	71	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-45.9	175.3	176.4	0	0	0	0	110.4	P45 Y46 F75 Y137 V138 E143 Y144 V145	P45-V141 HydrophobicContact CB-CB 3.89Å; P45-V141 HydrophobicContact CB-CG1 3.76Å; P45-V141 HydrophobicContact CB-CG2 4.46Å; Y46-V141 HydrophobicContact CD1-CG1 3.54Å; Y46-V141 HydrophobicContact CD2-CG1 4.44Å; Y46-V141 HydrophobicContact CE1-CG1 3.49Å; Y46-V141 VanDerWaalsContact CE1-CG1 3.49Å; Y46-V141 HydrophobicContact CE1-CG2 4.33Å; Y46-V141 HydrophobicContact CE2-CG1 4.38Å; Y46-V141 HydrophobicContact CG-CG1 4.02Å; F75-V141 HydrophobicContact CD1-CG2 4.16Å; Y137-V141 HydrophobicContact CD1-CG2 4.37Å; Y137-V141 HydrophobicContact CD2-CG2 4.2Å; Y137-V141 HydrophobicContact CE1-CG2 4.06Å; Y137-V141 HydrophobicContact CE2-CG2 3.85Å; Y137-V141 HydrophobicContact CG-CG2 4.45Å; Y137-V141 WeakPolarHBondContact O-CG2 3.18Å; Y137-V141 PolarHBondContact O-N 3.39Å; V138-V141 PolarHBondContact O-N 3.17Å; V141-E143 VanDerWaalsContact C-N 3.32Å; V141-E143 PolarHBondContact O-N 3.5Å; V141-Y144 WeakPolarHBondContact O-CB 3.37Å; V141-Y144 PolarHBondContact O-N 3.33Å; V141-Y144 VanDerWaalsContact O-N 3.09Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 3.1Å
142	K	98.4	Very high	97.7	Very high	112 Å²	112	73 Å²	73	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-37.4	177.5	-73.5	-177.8	176.2	-173.5	0	112.9	V138 T139 Y144 V145 Q146	V138-K142 HydrophobicContact CG1-CD 4.23Å; V138-K142 WeakPolarHBondContact O-CG 3.18Å; V138-K142 PolarHBondContact O-N 3.11Å; T139-K142 PolarHBondContact O-N 3.34Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; K142-V145 PolarHBondContact O-N 2.99Å; K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 2.92Å
143	E	98.4	Very high	97.6	Very high	63 Å²	63	66.4 Å²	66.4	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-45.4	172.2	-167.4	-153.4	149.9	0	0	110.9	T139 K140 V141 Q146 R147	T139-E143 PolarHBondContact O-N 3.28Å; K140-E143 IonicContact NZ-OE1 2.65Å; K140-E143 IonicContact NZ-OE2 3.02Å; K140-E143 PolarHBondContact NZ-OE2 2.9Å; K140-E143 WeakPolarHBondContact O-CB 3.25Å; K140-E143 PolarHBondContact O-N 3.04Å; V141-E143 VanDerWaalsContact C-N 3.32Å; V141-E143 PolarHBondContact O-N 3.5Å; E143-Q146 PolarHBondContact O-N 3.02Å; E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 3.06Å; E143-R147 WeakPolarHBondContact OE1-CD 3.49Å; E143-R147 IonicContact OE1-CZ 2.89Å; E143-R147 IonicContact OE1-NH1 3.83Å; E143-R147 PolarHBondContact OE1-NH1 2.9Å
144	Y	98.5	Very high	97.5	Very high	25 Å²	25	62.6 Å²	62.6	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-42.3	178.4	-89.7	-128.4	0	0	0	111.8	K73 F75 E81 K140 V141 K142 Q146 R147 F148	K73-Y144 HydrophobicContact CB-CD1 4.44Å; F75-Y144 HydrophobicContact CB-CD1 3.62Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.91Å; F75-Y144 HydrophobicContact CB-CG 3.89Å; F75-Y144 HydrophobicContact CD2-CE1 4.15Å; F75-Y144 HydrophobicContact CG-CE1 4.45Å; E81-Y144 HydrophobicContact CG-CE1 4.35Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.48Å; E81-Y144 PolarHBondContact OE1-OH 3.15Å; K140-Y144 HydrophobicContact CD-CE2 4.26Å; K140-Y144 HydrophobicContact CG-CE2 4.47Å; K140-Y144 WeakPolarHBondContact O-CD2 3.47Å; K140-Y144 PolarHBondContact O-N 2.99Å; V141-Y144 WeakPolarHBondContact O-CB 3.37Å; V141-Y144 PolarHBondContact O-N 3.33Å; V141-Y144 VanDerWaalsContact O-N 3.09Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-Q146 VanDerWaalsContact C-N 3.33Å; Y144-Q146 PolarHBondContact O-N 2.95Å; Y144-R147 PolarHBondContact O-N 3.36Å; Y144-F148 AromaticContact CD1-CD2 3.87Å; Y144-F148 HydrophobicContact CD1-CD2 3.87Å; Y144-F148 AromaticContact CD1-CE2 3.96Å; Y144-F148 HydrophobicContact CD1-CE2 3.96Å; Y144-F148 HydrophobicContact CD2-CE2 4.2Å; Y144-F148 HydrophobicContact CE1-CD2 4.44Å; Y144-F148 HydrophobicContact CE1-CE2 4.14Å; Y144-F148 HydrophobicContact CE2-CE2 4.28Å; Y144-F148 AromaticContact CG-CD2 3.95Å; Y144-F148 HydrophobicContact CG-CD2 3.95Å; Y144-F148 HydrophobicContact CG-CE2 4.03Å; Y144-F148 WeakPolarHBondContact O-CB 3.43Å; Y144-F148 WeakPolarHBondContact O-CD2 3.36Å; Y144-F148 PolarHBondContact O-N 2.83Å
145	V	98.5	Very high	97.3	Very high	15 Å²	15	64 Å²	64	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-49.7	175.9	167.7	0	0	0	0	110.5	W51 V141 K142 R147 A149 S150	W51-V145 HydrophobicContact CH2-CG2 3.83Å; W51-V145 HydrophobicContact CZ2-CG2 3.97Å; V141-V145 HydrophobicContact CG1-CG2 4.33Å; V141-V145 WeakPolarHBondContact O-CG2 3.4Å; V141-V145 PolarHBondContact O-N 3.1Å; K142-V145 PolarHBondContact O-N 2.99Å; V145-R147 PolarHBondContact O-N 3.46Å; V145-A149 CarbonylContact O-C 3.52Å; V145-A149 WeakPolarHBondContact O-CA 3.42Å; V145-A149 PolarHBondContact O-N 3.23Å; V145-S150 PolarHBondContact O-N 2.55Å; V145-S150 VanDerWaalsContact O-N 3.11Å
146	Q	97.7	Very high	97	Very high	147 Å²	147	61.9 Å²	61.9	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-37.3	179.2	-71.6	178.9	1.1	0	0	113.1	K142 E143 Y144	K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 2.92Å; E143-Q146 PolarHBondContact O-N 3.02Å; Y144-Q146 VanDerWaalsContact C-N 3.33Å; Y144-Q146 PolarHBondContact O-N 2.95Å
147	R	97.4	Very high	96.6	Very high	145 Å²	145	60.3 Å²	60.3	55%	0.547	29%	0.294	S	S	.	.	H	α-helix	trans	-83.3	-33.2	-173.5	-72.3	178.7	65.6	-177.4	-1.3	114.1	E143 Y144 V145	E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 VanDerWaalsContact O-CG 3.26Å; E143-R147 WeakPolarHBondContact O-CG 3.33Å; E143-R147 PolarHBondContact O-N 3.06Å; E143-R147 WeakPolarHBondContact OE1-CD 3.49Å; E143-R147 IonicContact OE1-CZ 2.89Å; E143-R147 IonicContact OE1-NH1 3.83Å; E143-R147 PolarHBondContact OE1-NH1 2.9Å; Y144-R147 PolarHBondContact O-N 3.36Å; V145-R147 PolarHBondContact O-N 3.46Å
148	F	98	Very high	96.1	Very high	41 Å²	41	64.2 Å²	64.2	18%	0.18	31%	0.312	C	S	.	.	H	α-helix	trans	-127.9	-15.9	-167.4	-52.5	-65	0	0	0	113.7	N72 K73 Y144	N72-F148 PolarHBondContact ND2-O 2.79Å; K73-F148 HydrophobicContact CB-CB 3.94Å; K73-F148 HydrophobicContact CB-CD1 4.33Å; K73-F148 HydrophobicContact CB-CD2 3.82Å; K73-F148 HydrophobicContact CB-CE2 4.41Å; K73-F148 HydrophobicContact CB-CG 3.78Å; K73-F148 HydrophobicContact CD-CD1 4.19Å; K73-F148 HydrophobicContact CD-CD2 4.33Å; K73-F148 HydrophobicContact CD-CE1 4Å; K73-F148 HydrophobicContact CD-CE2 4.14Å; K73-F148 HydrophobicContact CD-CG 4.36Å; K73-F148 HydrophobicContact CD-CZ 3.97Å; Y144-F148 AromaticContact CD1-CD2 3.87Å; Y144-F148 HydrophobicContact CD1-CD2 3.87Å; Y144-F148 AromaticContact CD1-CE2 3.96Å; Y144-F148 HydrophobicContact CD1-CE2 3.96Å; Y144-F148 HydrophobicContact CD2-CE2 4.2Å; Y144-F148 HydrophobicContact CE1-CD2 4.44Å; Y144-F148 HydrophobicContact CE1-CE2 4.14Å; Y144-F148 HydrophobicContact CE2-CE2 4.28Å; Y144-F148 AromaticContact CG-CD2 3.95Å; Y144-F148 HydrophobicContact CG-CD2 3.95Å; Y144-F148 HydrophobicContact CG-CE2 4.03Å; Y144-F148 WeakPolarHBondContact O-CB 3.43Å; Y144-F148 WeakPolarHBondContact O-CD2 3.36Å; Y144-F148 PolarHBondContact O-N 2.83Å
149	A	98.2	Very high	95.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-129.6	23.7	-173.3	0	0	0	0	0	112.8	G49 I50 W51 V145	G49-A149 CarbonylContact C-O 3.32Å; G49-A149 WeakPolarHBondContact CA-O 3.4Å; I50-A149 PolarHBondContact N-O 2.94Å; I50-A149 WeakPolarHBondContact O-CA 3.48Å; I50-A149 WeakPolarHBondContact O-CB 3.13Å; W51-A149 HydrophobicContact CD2-CB 4.06Å; W51-A149 HydrophobicContact CG-CB 4.46Å; W51-A149 HydrophobicContact CH2-CB 4.38Å; W51-A149 HydrophobicContact CZ2-CB 3.72Å; V145-A149 CarbonylContact O-C 3.52Å; V145-A149 WeakPolarHBondContact O-CA 3.42Å; V145-A149 PolarHBondContact O-N 3.23Å
150	S	96.7	Very high	95.2	Very high	24 Å²	24	69.2 Å²	69.2	17%	0.168	32%	0.322	C	S	.	.	S	Bend	trans	-88.9	161.5	168.1	89.5	0	0	0	0	110.6	V145 E152 A153 L154	V145-S150 PolarHBondContact O-N 2.55Å; V145-S150 VanDerWaalsContact O-N 3.11Å; S150-E152 VanDerWaalsContact CB-OE2 3.26Å; S150-E152 WeakPolarHBondContact CB-OE2 3.33Å; S150-E152 PolarHBondContact O-N 2.86Å; S150-E152 PolarHBondContact OG-N 3.26Å; S150-E152 PolarHBondContact OG-OE2 3.25Å; S150-A153 PolarHBondContact O-N 3.33Å; S150-A153 PolarHBondContact OG-N 3.21Å; S150-A153 VanDerWaalsContact OG-N 3.08Å; S150-L154 PolarHBondContact O-N 3.39Å
151	E	93.6	Very high	94.4	Very high	99 Å²	99	72 Å²	72	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-56.7	-38.8	173	-79.5	-159.9	-166.7	0	0	112.1	I50 K155	I50-E151 HydrophobicContact CD1-CG 3.48Å; I50-E151 VanDerWaalsContact CD1-CG 3.48Å; E151-K155 VanDerWaalsContact O-CG 3.32Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.86Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 IonicContact OE2-NZ 2.75Å; E151-K155 PolarHBondContact OE2-NZ 3.35Å
152	E	95	Very high	93.7	Very high	133 Å²	133	74.4 Å²	74.4	62%	0.621	36%	0.357	S	S	*	.	H	α-helix	trans	-66.6	-41	178.1	-56.2	78.2	-169.1	0	0	111.4	S150 K155 A156	S150-E152 VanDerWaalsContact CB-OE2 3.26Å; S150-E152 WeakPolarHBondContact CB-OE2 3.33Å; S150-E152 PolarHBondContact O-N 2.86Å; S150-E152 PolarHBondContact OG-N 3.26Å; S150-E152 PolarHBondContact OG-OE2 3.25Å; E152-K155 PolarHBondContact O-N 2.62Å; E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.39Å; E152-A156 PolarHBondContact O-N 3.13Å
153	A	95.4	Very high	92.9	Very high	15 Å²	15	75.5 Å²	75.5	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-44	177.6	0	0	0	0	0	111.6	S150 A156 E157	S150-A153 PolarHBondContact O-N 3.33Å; S150-A153 PolarHBondContact OG-N 3.21Å; S150-A153 VanDerWaalsContact OG-N 3.08Å; A153-A156 PolarHBondContact O-N 3.06Å; A153-E157 PolarHBondContact O-N 3.24Å
154	L	94.4	Very high	92	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-44.2	177.8	-67.7	-179.7	0	0	0	112.2	I50 K52 N72 S150 A156 E157 E158	I50-L154 HydrophobicContact CB-CD1 3.81Å; I50-L154 HydrophobicContact CG2-CD1 3.56Å; K52-L154 HydrophobicContact CD-CD2 4.49Å; K52-L154 HydrophobicContact CG-CD2 4.43Å; N72-L154 HydrophobicContact CB-CD2 4.15Å; S150-L154 PolarHBondContact O-N 3.39Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.89Å; L154-E157 PolarHBondContact O-N 3.25Å; L154-E158 WeakPolarHBondContact O-CG 3.49Å; L154-E158 PolarHBondContact O-N 2.98Å
155	K	93.1	Very high	90.8	Very high	109 Å²	109	78.9 Å²	78.9	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-38.9	175.5	-72.7	166.5	-174.5	154.5	0	111.6	E151 E152 E158 N159	E151-K155 VanDerWaalsContact O-CG 3.32Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.86Å; E151-K155 VanDerWaalsContact O-N 3.08Å; E151-K155 IonicContact OE2-NZ 2.75Å; E151-K155 PolarHBondContact OE2-NZ 3.35Å; E152-K155 PolarHBondContact O-N 2.62Å; K155-E158 PolarHBondContact O-N 2.91Å; K155-N159 PolarHBondContact O-N 3.28Å
156	A	92.3	Very high	89.2	Confident	43 Å²	43	82 Å²	82	36%	0.355	42%	0.42	S	S	.	.	H	α-helix	trans	-70	-30.5	177.9	0	0	0	0	0	113.2	E152 A153 L154 R160	E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.39Å; E152-A156 PolarHBondContact O-N 3.13Å; A153-A156 PolarHBondContact O-N 3.06Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.89Å; A156-R160 WeakPolarHBondContact O-CG 3.41Å; A156-R160 PolarHBondContact O-N 3.35Å; A156-R160 PolarHBondContact O-NE 2.93Å
157	E	89.3	Confident	87.3	Confident	59 Å²	59	79.1 Å²	79.1	28%	0.276	42%	0.416	S	S	.	.	H	α-helix	trans	-71.2	-45.7	169.9	-79.1	-169.1	159.3	0	0	112	A153 L154 N159 R160 E161	A153-E157 PolarHBondContact O-N 3.24Å; L154-E157 PolarHBondContact O-N 3.25Å; E157-N159 VanDerWaalsContact C-N 3.31Å; E157-N159 PolarHBondContact O-N 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 3.1Å; E157-E161 PolarHBondContact O-N 3.47Å
158	E	88	Confident	85.3	Confident	90 Å²	90	78.8 Å²	78.8	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-58.2	-42.1	178.3	-75.1	172	-179.5	0	0	112.6	K52 L154 K155 R160 E161 A162	K52-E158 VanDerWaalsContact CE-OE1 3.25Å; K52-E158 WeakPolarHBondContact CE-OE1 3.45Å; K52-E158 IonicContact NZ-OE1 3.25Å; K52-E158 PolarHBondContact NZ-OE1 3.29Å; L154-E158 WeakPolarHBondContact O-CG 3.49Å; L154-E158 PolarHBondContact O-N 2.98Å; K155-E158 PolarHBondContact O-N 2.91Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.41Å; E158-E161 PolarHBondContact O-N 3.22Å; E158-A162 WeakPolarHBondContact O-CB 3.21Å; E158-A162 PolarHBondContact O-N 3.23Å
159	N	89.5	Confident	83	Confident	103 Å²	103	80 Å²	80	55%	0.551	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-39	176.1	-74.1	-7.6	0	0	0	112.2	K155 E157 A162 E163	K155-N159 PolarHBondContact O-N 3.28Å; E157-N159 VanDerWaalsContact C-N 3.31Å; E157-N159 PolarHBondContact O-N 3.4Å; N159-A162 PolarHBondContact O-N 2.87Å; N159-E163 WeakPolarHBondContact O-CG 3.46Å; N159-E163 PolarHBondContact O-N 3.15Å
160	R	89	Confident	80.7	Confident	152 Å²	152	89 Å²	89	57%	0.574	49%	0.492	S	S	*	.	H	α-helix	trans	-67.7	-40	177.9	-78.2	-178.8	-78	-178.2	1.8	112	A156 E157 E158 S164	A156-R160 WeakPolarHBondContact O-CG 3.41Å; A156-R160 PolarHBondContact O-N 3.35Å; A156-R160 PolarHBondContact O-NE 2.93Å; E157-R160 WeakPolarHBondContact O-CB 3.41Å; E157-R160 PolarHBondContact O-N 3.1Å; E158-R160 VanDerWaalsContact C-N 3.33Å; E158-R160 PolarHBondContact O-N 3.41Å; R160-S164 PolarHBondContact O-N 3.2Å; R160-S164 PolarHBondContact O-OG 2.9Å
161	E	83.1	Confident	78	Confident	120 Å²	120	93 Å²	93	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-44.6	174.5	-70.2	178	167.9	0	0	111	E157 E158 E163 S164 S165	E157-E161 PolarHBondContact O-N 3.47Å; E158-E161 PolarHBondContact O-N 3.22Å; E161-E163 PolarHBondContact O-N 2.94Å; E161-S164 PolarHBondContact O-N 2.59Å; E161-S164 PolarHBondContact O-OG 3.12Å; E161-S165 PolarHBondContact O-N 3.42Å
162	A	83.9	Confident	75.7	Confident	54 Å²	54	93.7 Å²	93.7	45%	0.446	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177.4	0	0	0	0	0	112.6	E158 N159 S165 S166	E158-A162 WeakPolarHBondContact O-CB 3.21Å; E158-A162 PolarHBondContact O-N 3.23Å; N159-A162 PolarHBondContact O-N 2.87Å; A162-S165 PolarHBondContact O-N 3.36Å; A162-S165 PolarHBondContact O-OG 2.98Å; A162-S166 PolarHBondContact O-N 3.44Å; A162-S166 PolarHBondContact O-OG 3.22Å
163	E	81.9	Confident	73.5	Confident	134 Å²	134	96.4 Å²	96.4	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-62.1	-42.9	175.9	-75.1	176.1	178.4	0	0	111.8	N159 E161 S165 S166 S167	N159-E163 WeakPolarHBondContact O-CG 3.46Å; N159-E163 PolarHBondContact O-N 3.15Å; E161-E163 PolarHBondContact O-N 2.94Å; E163-S165 PolarHBondContact O-N 2.81Å; E163-S166 PolarHBondContact O-N 2.97Å; E163-S166 PolarHBondContact O-OG 3.24Å; E163-S167 PolarHBondContact O-N 2.94Å
164	S	78.4	Confident	71	Confident	72 Å²	72	101 Å²	101	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-62.8	-42.4	177.7	71	0	0	0	0	112.7	R160 E161 S166 S167	R160-S164 PolarHBondContact O-N 3.2Å; R160-S164 PolarHBondContact O-OG 2.9Å; E161-S164 PolarHBondContact O-N 2.59Å; E161-S164 PolarHBondContact O-OG 3.12Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.36Å; S164-S167 PolarHBondContact O-N 3.06Å
165	S	72.5	Confident	68.9	Low	87 Å²	87	107.5 Å²	107.5	61%	0.608	62%	0.617	S	S	*	*	H	α-helix	trans	-69.1	-23.9	-179.2	71.3	0	0	0	0	113.9	E161 A162 E163	E161-S165 PolarHBondContact O-N 3.42Å; A162-S165 PolarHBondContact O-N 3.36Å; A162-S165 PolarHBondContact O-OG 2.98Å; E163-S165 PolarHBondContact O-N 2.81Å
166	S	64.8	Low	66.6	Low	81 Å²	81	113 Å²	113	57%	0.566	64%	0.636	S	S	*	*	H	α-helix	trans	-84.9	-25.5	178.2	56.2	0	0	0	0	113	A162 E163 S164	A162-S166 PolarHBondContact O-N 3.44Å; A162-S166 PolarHBondContact O-OG 3.22Å; E163-S166 PolarHBondContact O-N 2.97Å; E163-S166 PolarHBondContact O-OG 3.24Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.36Å
167	S	59.1	Low	64.3	Low	86 Å²	86	117.8 Å²	117.8	60%	0.601	66%	0.661	S	S	*	*	H	α-helix	trans	-73.6	-25.9	179	-170.9	0	0	0	0	114	E163 S164 G169	E163-S167 PolarHBondContact O-N 2.94Å; S164-S167 PolarHBondContact O-N 3.06Å; S167-G169 PolarHBondContact O-N 2.73Å
168	D	54.9	Low	62.4	Low	139 Å²	139	122.6 Å²	122.6	74%	0.743	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-5.8	-179.2	-73.3	-26.5	0	0	0	113.4
169	G	49	Very low	60.6	Low	67 Å²	67	126.1 Å²	126.1	69%	0.691	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-16.1	177.6	0	0	0	0	0	115.3	S167	S167-G169 PolarHBondContact O-N 2.73Å
170	E	50	Low	58.5	Low	188 Å²	188	130.6 Å²	130.6	88%	0.879	73%	0.73	S	S	*	*	S	Bend	trans	-116.7	47.7	-173.1	-60.2	-153.7	130.5	0	0	112.8
171	S	40.6	Very low	56.8	Low	108 Å²	108	128.1 Å²	128.1	76%	0.755	74%	0.742	S	S	*	*			trans	-136.8	61.3	166.1	87.7	0	0	0	0	112.3
172	S	45.8	Very low	55.2	Low	114 Å²	114	133.7 Å²	133.7	80%	0.797	76%	0.758	S	S	*	*	S	Bend	trans	-159.3	84	166.9	-164.3	0	0	0	0	110.4
173	M	49.3	Very low	53.3	Low	190 Å²	190	139 Å²	139	94%	0.936	78%	0.779	S	S	*	*	S	Bend	trans	159.6	77.8	152.8	-90	-170.7	-170.5	0	0	110.1
174	S	42.7	Very low	51.8	Low	112 Å²	112	141.6 Å²	141.6	78%	0.783	79%	0.794	S	S	*	*	S	Bend	trans	-170.1	71.9	154.2	41.1	0	0	0	0	109.9
175	D	49.7	Very low	50	Low	150 Å²	150	147.2 Å²	147.2	80%	0.802	81%	0.812	S	S	*	*	S	Bend	trans	-170.2	45	158.3	-112.1	-5.2	0	0	0	113.8
176	Y	44.8	Very low	48.5	Very low	223 Å²	223	155.2 Å²	155.2	88%	0.875	85%	0.846	S	S	*	*			trans	-150.8	96	165.6	-71.5	-76.6	0	0	0	109.4
177	T	44.8	Very low	47.7	Very low	145 Å²	145	158.9 Å²	158.9	89%	0.89	86%	0.86	S	S	*	*				160.2	83.6	128.5	55.2	0	0	0	0	109.5
178	D	49.4	Very low	47.1	Very low	159 Å²	159	162.7 Å²	162.7	85%	0.85	87%	0.874	S	S	*	*			trans	-134.3	71.9	155.4	-167	30.2	0	0	0	107.8
179	D	49.1	Very low	46.7	Very low	164 Å²	164	164.1 Å²	164.1	88%	0.877	88%	0.881	S	S	*	*			trans	-159.9	31	171.8	-123.7	-19.4	0	0	0	115.6
180	M	45.7	Very low	46.6	Very low	198 Å²	198	169.8 Å²	169.8	98%	0.975	89%	0.892	S	S	*	*	S	Bend	trans	-130.1	28.4	-179.4	-132.6	175.5	-171.3	0	0	115.6
181	A	53.7	Low	46.3	Very low	99 Å²	99	168.6 Å²	168.6	82%	0.818	89%	0.893	S	S	*	*	S	Bend	trans	-123.4	13.7	177.6	0	0	0	0	0	115.2
182	R	48.6	Very low	46.7	Very low	237 Å²	237	172.7 Å²	172.7	89%	0.894	90%	0.902	S	S	*	*	S	Bend	trans	-127.2	71.5	175.3	-81.7	-175.3	157	146.4	-3	111.3
183	D	44.4	Very low	46.8	Very low	167 Å²	167	176.9 Å²	176.9	89%	0.893	91%	0.91	S	S	*	*			trans	-166.2	70.6	155.2	-96.8	-20.5	0	0	0	109
184	M	50.2	Low	46.6	Very low	188 Å²	188	175.8 Å²	175.8	93%	0.926	91%	0.908	S	S	*	*			trans	-151.2	55.9	160.9	-157	176.9	-73.1	0	0	110.2
185	E	41.2	Very low	46.9	Very low	190 Å²	190	181.2 Å²	181.2	89%	0.888	92%	0.918	S	S	*	*			trans	-142.9	84.2	160.4	-81.3	-167.8	155.5	0	0	109
186	L	41.6	Very low	46.7	Very low	254 Å²	254	184 Å²	184	100%	1.33	93%	0.929	S	S	*	*			trans	-150.7	0	153.4	-87.8	179.9	0	0	0	109.6

Retrieved 186 of 186 residues in 424.8 ms (Link to these results)

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